Fixed incorrect enum

Harmless, since both have value 1, but confusing

diff --git a/docs/reference-manual/algorithms/molecular-dynamics.rst b/docs/reference-manual/algorithms/molecular-dynamics.rst
index 7bc72dc8c4680f4095040b80b26e64b380fb47f3..193f1842040c8ae7a57a99dabb6a87c07d4fb5a5 100644 (file)
--- a/docs/reference-manual/algorithms/molecular-dynamics.rst
+++ b/docs/reference-manual/algorithms/molecular-dynamics.rst
@@ -1255,6 +1255,57 @@ Berendsen pressure control algorithm yields a simulation with the
 correct average pressure, it does not yield the exact NPT ensemble, and
 it is not yet clear exactly what errors this approximation may yield.
 
+Stochastic cell rescaling
+^^^^^^^^^^^^^^^^^^^^^^^^^
+
+The stochastic cell rescaling algorithm is a variant of the Berendsen
+algorithm that allows correct fluctuations to be sampled. Similarly
+to the Berendsen algorithm, it rescales the coordinates and box vectors
+every step, or every :math:`n_\mathrm{PC}` steps
+with the effect of a first-order kinetic relaxation of the
+pressure towards a given reference pressure :math:`P_0`.
+At variance with the Berendsen algorithm, the rescaling matrix is calculated
+including a stochastic term that makes volume fluctuations correct.
+
+The isotropic version can be easily written in term of the strain
+:math:`\epsilon=\log(V/V_0)` that is evolved according to the following equation
+of motion
+
+.. math:: \mbox{d}\epsilon=-\frac{\beta}{\tau_p}(P_0-P)\mbox{d}t + \sqrt{\frac{2k_BT\beta}{V\tau_p}}\mbox{d}W
+          :label: eqnstochasticcellrescaling
+
+
+Here, :math:`\beta` is the isothermal compressibility of the system.
+It suffices to take a rough estimate because the value of :math:`\beta` only influences
+the non-critical time constant of the pressure relaxation without affecting
+the volume distribution itself. For water at 1 atm and 300 K
+:math:`\beta = 4.6 \times 10^{-10}`
+Pa\ :math:`^{-1} = 4.6 \times 10^{-5}` bar\ :math:`^{-1}`, which is
+:math:`7.6 \times 10^{-4}` MD units (see chapter :ref:`defunits`). Most
+other liquids have similar values.
+
+Another difference with respect to the Berendsen algorithm is that
+velocities are scaled with a factor that is the reciprocal of the
+scaling factor for positions.
+
+A semi-isotropic implementation is also provided. By defining the variables
+:math:`\epsilon_{xy}=\log(A/A_0)` and :math:`\epsilon_z=\log(L/L_0)`,
+where :math:`A` and :math:`L` are the area of the simulation box in the
+:math:`xy` plane and its height, respectively, the following equations
+can be obtained:
+
+.. math:: \mbox{d}\epsilon_{xy}=-\frac{2\beta}{3\tau_p}(P_0-\frac{\gamma}{L}-\frac{P_{xx}+P_{yy}}{2})\mbox{d}t+\sqrt{\frac{4k_BT\beta}{3V\tau_p}}\mbox{d}W_{xy}
+          :label: eqnstochasticcellrescalingxy
+
+.. math:: \mbox{d}\epsilon_z=-\frac{\beta}{3\tau_p}(P_0-P_{zz})\mbox{d}t + \sqrt{\frac{2k_BT\beta}{3V\tau_p}}\mbox{d}W_z
+          :label: eqnstochasticcellrescalingz
+
+Here :math:`\gamma` is the external surface tension and :math:`P_{xx}`,
+:math:`P_{yy}`, and :math:`P_{zz}` the components of the internal pressure.
+
+More detailed explanations can be found in the original reference \ :ref:`184 <refBernetti2020>`.
+
+
 Parrinello-Rahman pressure coupling
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 

diff --git a/docs/reference-manual/references.rst b/docs/reference-manual/references.rst
index b7b4593499fda09a5a7a23a2fb9c981731346719..eb9099d164c147512c505e9aa96788c945ee2474 100644 (file)
--- a/docs/reference-manual/references.rst
+++ b/docs/reference-manual/references.rst
@@ -2590,6 +2590,19 @@ structures into cryoelectron microscopy maps using biased molecular dynamics sim
 :sup:`183` Igaev, M., Kutzner, C., Bock, L. V., Vaiana, A. C., & Grubmüller, H.,
 "Automated cryo-EM structure refinement using correlation-driven molecular dynamics", *eLife*, **8**, e43542 (2019).
 
+.. raw:: html
+
+   </div>
+
+.. raw:: html
+
+   <div id="ref-Bernetti2020">
+
+.. _refBernetti2020:
+
+:sup:`184` Bernetti, M. and Bussi, G.,
+"Pressure control using stochastic cell rescaling", *J. Chem. Phys.*, **153**, 114107 (2020).
+
 .. raw:: html
 
    </div>

diff --git a/docs/release-notes/2021/major/features.rst b/docs/release-notes/2021/major/features.rst
index 7d289862f82a208cf9798b63959f54ea5d8ada19..abb2bfffec7ccb1ddfd3c600e0047580c0d2c677 100644 (file)
--- a/docs/release-notes/2021/major/features.rst
+++ b/docs/release-notes/2021/major/features.rst
@@ -46,3 +46,9 @@ It is now possible to control the lambda state of a free energy perturbation
 simulation using the Accelerated Weight Histogram method. This can be used
 as one of multiple AWH dimensions, where the other(s) are coupled to pull
 coordinates.
+
+Stochastic cell rescaling barostat
+""""""""""""""""""""""""""""""""""
+
+Implementation of the stochastic cell rescaling barostat. This is a first-order,
+stochastic barostat, that can be used both for equilibration and production.

diff --git a/docs/user-guide/mdp-options.rst b/docs/user-guide/mdp-options.rst
index c3085b034c4c8e701aef009732f190304523797f..0fea1a8b5779f9f27003fa83e68808e886c55cce 100644 (file)
--- a/docs/user-guide/mdp-options.rst
+++ b/docs/user-guide/mdp-options.rst
@@ -1036,6 +1036,13 @@ Pressure coupling
       ensemble, but it is the most efficient way to scale a box at the
       beginning of a run.
 
+   .. mdp-value:: C-rescale
+
+      Exponential relaxation pressure coupling with time constant
+      :mdp:`tau-p`, including a stochastic term to enforce correct
+      volume fluctuations.  The box is scaled every :mdp:`nstpcouple`
+      steps. It can be used for both equilibration and production.
+
    .. mdp-value:: Parrinello-Rahman
 
       Extended-ensemble pressure coupling where the box vectors are

diff --git a/src/gromacs/mdlib/coupling.cpp b/src/gromacs/mdlib/coupling.cpp
index 5545af97c889862028662adddb5c4ef2fb1ab44a..43ef9d2459be5a85aa439296a3edd83fc2ae9a00 100644 (file)
--- a/src/gromacs/mdlib/coupling.cpp
+++ b/src/gromacs/mdlib/coupling.cpp
@@ -217,6 +217,17 @@ void update_pcouple_after_coordinates(FILE*                fplog,
                                  homenr, state->x.rvec_array(), md->cFREEZE, nrnb, scaleCoordinates);
             }
             break;
+        case (epcCRESCALE):
+            if (do_per_step(step, inputrec->nstpcouple))
+            {
+                real dtpc = inputrec->nstpcouple * dt;
+                crescale_pcoupl(fplog, step, inputrec, dtpc, pressure, state->box, forceVirial,
+                                constraintVirial, pressureCouplingMu, &state->baros_integral);
+                crescale_pscale(inputrec, pressureCouplingMu, state->box, state->box_rel, start,
+                                homenr, state->x.rvec_array(), state->v.rvec_array(), md->cFREEZE,
+                                nrnb, scaleCoordinates);
+            }
+            break;
         case (epcPARRINELLORAHMAN):
             if (do_per_step(step + inputrec->nstpcouple - 1, inputrec->nstpcouple))
             {
@@ -800,7 +811,6 @@ void berendsen_pcoupl(FILE*             fplog,
                       matrix            mu,
                       double*           baros_integral)
 {
-    int  d, n;
     real scalar_pressure, xy_pressure, p_corr_z;
     char buf[STRLEN];
 
@@ -809,7 +819,7 @@ void berendsen_pcoupl(FILE*             fplog,
      */
     scalar_pressure = 0;
     xy_pressure     = 0;
-    for (d = 0; d < DIM; d++)
+    for (int d = 0; d < DIM; d++)
     {
         scalar_pressure += pres[d][d] / DIM;
         if (d != ZZ)
@@ -827,22 +837,22 @@ void berendsen_pcoupl(FILE*             fplog,
     switch (ir->epct)
     {
         case epctISOTROPIC:
-            for (d = 0; d < DIM; d++)
+            for (int d = 0; d < DIM; d++)
             {
                 mu[d][d] = 1.0 - factor(d, d) * (ir->ref_p[d][d] - scalar_pressure) / DIM;
             }
             break;
         case epctSEMIISOTROPIC:
-            for (d = 0; d < ZZ; d++)
+            for (int d = 0; d < ZZ; d++)
             {
                 mu[d][d] = 1.0 - factor(d, d) * (ir->ref_p[d][d] - xy_pressure) / DIM;
             }
             mu[ZZ][ZZ] = 1.0 - factor(ZZ, ZZ) * (ir->ref_p[ZZ][ZZ] - pres[ZZ][ZZ]) / DIM;
             break;
         case epctANISOTROPIC:
-            for (d = 0; d < DIM; d++)
+            for (int d = 0; d < DIM; d++)
             {
-                for (n = 0; n < DIM; n++)
+                for (int n = 0; n < DIM; n++)
                 {
                     mu[d][n] = (d == n ? 1.0 : 0.0) - factor(d, n) * (ir->ref_p[d][n] - pres[d][n]) / DIM;
                 }
@@ -862,7 +872,7 @@ void berendsen_pcoupl(FILE*             fplog,
                 p_corr_z = 0;
             }
             mu[ZZ][ZZ] = 1.0 - ir->compress[ZZ][ZZ] * p_corr_z;
-            for (d = 0; d < DIM - 1; d++)
+            for (int d = 0; d < DIM - 1; d++)
             {
                 mu[d][d] = 1.0
                            + factor(d, d)
@@ -926,6 +936,228 @@ void berendsen_pcoupl(FILE*             fplog,
     }
 }
 
+void crescale_pcoupl(FILE*             fplog,
+                     int64_t           step,
+                     const t_inputrec* ir,
+                     real              dt,
+                     const tensor      pres,
+                     const matrix      box,
+                     const matrix      force_vir,
+                     const matrix      constraint_vir,
+                     matrix            mu,
+                     double*           baros_integral)
+{
+    /*
+     *  Calculate the scaling matrix mu
+     */
+    real scalar_pressure = 0;
+    real xy_pressure     = 0;
+    for (int d = 0; d < DIM; d++)
+    {
+        scalar_pressure += pres[d][d] / DIM;
+        if (d != ZZ)
+        {
+            xy_pressure += pres[d][d] / (DIM - 1);
+        }
+    }
+    clear_mat(mu);
+
+    gmx::ThreeFry2x64<64>         rng(ir->ld_seed, gmx::RandomDomain::Barostat);
+    gmx::NormalDistribution<real> normalDist;
+    rng.restart(step, 0);
+    real vol = 1.0;
+    for (int d = 0; d < DIM; d++)
+    {
+        vol *= box[d][d];
+    }
+    real gauss;
+    real gauss2;
+    real kt = ir->opts.ref_t[0] * BOLTZ;
+    if (kt < 0.0)
+    {
+        kt = 0.0;
+    }
+
+    switch (ir->epct)
+    {
+        case epctISOTROPIC:
+            gauss = normalDist(rng);
+            for (int d = 0; d < DIM; d++)
+            {
+                const real compressibilityFactor = ir->compress[d][d] * dt / ir->tau_p;
+                mu[d][d] = std::exp(-compressibilityFactor * (ir->ref_p[d][d] - scalar_pressure) / DIM
+                                    + std::sqrt(2.0 * kt * compressibilityFactor * PRESFAC / vol)
+                                              * gauss / DIM);
+            }
+            break;
+        case epctSEMIISOTROPIC:
+            gauss  = normalDist(rng);
+            gauss2 = normalDist(rng);
+            for (int d = 0; d < ZZ; d++)
+            {
+                const real compressibilityFactor = ir->compress[d][d] * dt / ir->tau_p;
+                mu[d][d]                         = std::exp(
+                        -compressibilityFactor * (ir->ref_p[d][d] - xy_pressure) / DIM
+                        + std::sqrt((DIM - 1) * 2.0 * kt * compressibilityFactor * PRESFAC / vol / DIM)
+                                  / (DIM - 1) * gauss);
+            }
+            {
+                const real compressibilityFactor = ir->compress[ZZ][ZZ] * dt / ir->tau_p;
+                mu[ZZ][ZZ]                       = std::exp(
+                        -compressibilityFactor * (ir->ref_p[ZZ][ZZ] - pres[ZZ][ZZ]) / DIM
+                        + std::sqrt(2.0 * kt * compressibilityFactor * PRESFAC / vol / DIM) * gauss2);
+            }
+            break;
+        case epctSURFACETENSION:
+            gauss  = normalDist(rng);
+            gauss2 = normalDist(rng);
+            for (int d = 0; d < ZZ; d++)
+            {
+                const real compressibilityFactor = ir->compress[d][d] * dt / ir->tau_p;
+                /* Notice: we here use ref_p[ZZ][ZZ] as isotropic pressure and ir->ref_p[d][d] as surface tension */
+                mu[d][d] = std::exp(
+                        -compressibilityFactor
+                                * (ir->ref_p[ZZ][ZZ] - ir->ref_p[d][d] / box[ZZ][ZZ] - xy_pressure) / DIM
+                        + std::sqrt(4.0 / 3.0 * kt * compressibilityFactor * PRESFAC / vol)
+                                  / (DIM - 1) * gauss);
+            }
+            {
+                const real compressibilityFactor = ir->compress[ZZ][ZZ] * dt / ir->tau_p;
+                mu[ZZ][ZZ]                       = std::exp(
+                        -compressibilityFactor * (ir->ref_p[ZZ][ZZ] - pres[ZZ][ZZ]) / DIM
+                        + std::sqrt(2.0 / 3.0 * kt * compressibilityFactor * PRESFAC / vol) * gauss2);
+            }
+            break;
+        default:
+            gmx_fatal(FARGS, "C-rescale pressure coupling type %s not supported yet\n",
+                      EPCOUPLTYPETYPE(ir->epct));
+    }
+    /* To fullfill the orientation restrictions on triclinic boxes
+     * we will set mu_yx, mu_zx and mu_zy to 0 and correct
+     * the other elements of mu to first order.
+     */
+    mu[YY][XX] += mu[XX][YY];
+    mu[ZZ][XX] += mu[XX][ZZ];
+    mu[ZZ][YY] += mu[YY][ZZ];
+    mu[XX][YY] = 0;
+    mu[XX][ZZ] = 0;
+    mu[YY][ZZ] = 0;
+
+    /* Keep track of the work the barostat applies on the system.
+     * Without constraints force_vir tells us how Epot changes when scaling.
+     * With constraints constraint_vir gives us the constraint contribution
+     * to both Epot and Ekin. Although we are not scaling velocities, scaling
+     * the coordinates leads to scaling of distances involved in constraints.
+     * This in turn changes the angular momentum (even if the constrained
+     * distances are corrected at the next step). The kinetic component
+     * of the constraint virial captures the angular momentum change.
+     */
+    for (int d = 0; d < DIM; d++)
+    {
+        for (int n = 0; n <= d; n++)
+        {
+            *baros_integral -=
+                    2 * (mu[d][n] - (n == d ? 1 : 0)) * (force_vir[d][n] + constraint_vir[d][n]);
+        }
+    }
+
+    if (debug)
+    {
+        pr_rvecs(debug, 0, "PC: pres ", pres, 3);
+        pr_rvecs(debug, 0, "PC: mu   ", mu, 3);
+    }
+
+    if (mu[XX][XX] < 0.99 || mu[XX][XX] > 1.01 || mu[YY][YY] < 0.99 || mu[YY][YY] > 1.01
+        || mu[ZZ][ZZ] < 0.99 || mu[ZZ][ZZ] > 1.01)
+    {
+        char buf[STRLEN];
+        char buf2[22];
+        sprintf(buf,
+                "\nStep %s  Warning: pressure scaling more than 1%%, "
+                "mu: %g %g %g\n",
+                gmx_step_str(step, buf2), mu[XX][XX], mu[YY][YY], mu[ZZ][ZZ]);
+        if (fplog)
+        {
+            fprintf(fplog, "%s", buf);
+        }
+        fprintf(stderr, "%s", buf);
+    }
+}
+
+void crescale_pscale(const t_inputrec*    ir,
+                     const matrix         mu,
+                     matrix               box,
+                     matrix               box_rel,
+                     int                  start,
+                     int                  nr_atoms,
+                     rvec                 x[],
+                     rvec                 v[],
+                     const unsigned short cFREEZE[],
+                     t_nrnb*              nrnb,
+                     const bool           scaleCoordinates)
+{
+    ivec* nFreeze = ir->opts.nFreeze;
+    int nthreads gmx_unused;
+    matrix       inv_mu;
+
+#ifndef __clang_analyzer__
+    nthreads = gmx_omp_nthreads_get(emntUpdate);
+#endif
+
+    gmx::invertBoxMatrix(mu, inv_mu);
+
+    /* Scale the positions and the velocities */
+    if (scaleCoordinates)
+    {
+#pragma omp parallel for num_threads(nthreads) schedule(static)
+        for (int n = start; n < start + nr_atoms; n++)
+        {
+            // Trivial OpenMP region that does not throw
+            int g;
+
+            if (cFREEZE == nullptr)
+            {
+                g = 0;
+            }
+            else
+            {
+                g = cFREEZE[n];
+            }
+
+            if (!nFreeze[g][XX])
+            {
+                x[n][XX] = mu[XX][XX] * x[n][XX] + mu[YY][XX] * x[n][YY] + mu[ZZ][XX] * x[n][ZZ];
+                v[n][XX] = inv_mu[XX][XX] * v[n][XX] + inv_mu[YY][XX] * v[n][YY]
+                           + inv_mu[ZZ][XX] * v[n][ZZ];
+            }
+            if (!nFreeze[g][YY])
+            {
+                x[n][YY] = mu[YY][YY] * x[n][YY] + mu[ZZ][YY] * x[n][ZZ];
+                v[n][YY] = inv_mu[YY][YY] * v[n][YY] + inv_mu[ZZ][YY] * v[n][ZZ];
+            }
+            if (!nFreeze[g][ZZ])
+            {
+                x[n][ZZ] = mu[ZZ][ZZ] * x[n][ZZ];
+                v[n][ZZ] = inv_mu[ZZ][ZZ] * v[n][ZZ];
+            }
+        }
+    }
+    /* compute final boxlengths */
+    for (int d = 0; d < DIM; d++)
+    {
+        box[d][XX] = mu[XX][XX] * box[d][XX] + mu[YY][XX] * box[d][YY] + mu[ZZ][XX] * box[d][ZZ];
+        box[d][YY] = mu[YY][YY] * box[d][YY] + mu[ZZ][YY] * box[d][ZZ];
+        box[d][ZZ] = mu[ZZ][ZZ] * box[d][ZZ];
+    }
+
+    preserve_box_shape(ir, box_rel, box);
+
+    /* (un)shifting should NOT be done after this,
+     * since the box vectors might have changed
+     */
+    inc_nrnb(nrnb, eNR_PCOUPL, nr_atoms);
+}
+
 void berendsen_pscale(const t_inputrec*    ir,
                       const matrix         mu,
                       matrix               box,
@@ -1667,7 +1899,8 @@ real NPT_energy(const t_inputrec* ir, const t_state* state, const t_extmass* Mas
                     energyNPT += energyPressureMTTK(ir, state, MassQ);
                 }
                 break;
-            case epcBERENDSEN: energyNPT += state->baros_integral; break;
+            case epcBERENDSEN:
+            case epcCRESCALE: energyNPT += state->baros_integral; break;
             default:
                 GMX_RELEASE_ASSERT(
                         false,
@@ -1983,6 +2216,10 @@ void pleaseCiteCouplingAlgorithms(FILE* fplog, const t_inputrec& ir)
         {
             please_cite(fplog, "Bussi2007a");
         }
+        if (ir.epc == epcCRESCALE)
+        {
+            please_cite(fplog, "Bernetti2020");
+        }
         // TODO this is actually an integrator, not a coupling algorithm
         if (ir.eI == eiSD1)
         {

diff --git a/src/gromacs/mdlib/coupling.h b/src/gromacs/mdlib/coupling.h
index 37c016655476bcfa81e9e98f89cd5508e6b2745e..1d95925b8153f6dbdda1dffad3a0192dfa41e040 100644 (file)
--- a/src/gromacs/mdlib/coupling.h
+++ b/src/gromacs/mdlib/coupling.h
@@ -206,6 +206,28 @@ void berendsen_pscale(const t_inputrec*    ir,
                       const unsigned short cFREEZE[],
                       t_nrnb*              nrnb,
                       bool                 scaleCoordinates);
+void crescale_pcoupl(FILE*             fplog,
+                     int64_t           step,
+                     const t_inputrec* ir,
+                     real              dt,
+                     const tensor      pres,
+                     const matrix      box,
+                     const matrix      force_vir,
+                     const matrix      constraint_vir,
+                     matrix            mu,
+                     double*           baros_integral);
+
+void crescale_pscale(const t_inputrec*    ir,
+                     const matrix         mu,
+                     matrix               box,
+                     matrix               box_rel,
+                     int                  start,
+                     int                  nr_atoms,
+                     rvec                 x[],
+                     rvec                 v[],
+                     const unsigned short cFREEZE[],
+                     t_nrnb*              nrnb,
+                     bool                 scaleCoordinates);
 
 void pleaseCiteCouplingAlgorithms(FILE* fplog, const t_inputrec& ir);
 

diff --git a/src/gromacs/mdlib/md_support.cpp b/src/gromacs/mdlib/md_support.cpp
index 7e301f6bf752816130cc0534d36676beb7315003..cecbc3ca0ca216dd06906c2ea992797ea46e04e9 100644 (file)
--- a/src/gromacs/mdlib/md_support.cpp
+++ b/src/gromacs/mdlib/md_support.cpp
@@ -572,7 +572,7 @@ void set_state_entries(t_state* state, const t_inputrec* ir, bool useModularSimu
             state->flags |= (1 << estVETA);
             state->flags |= (1 << estVOL0);
         }
-        if (ir->epc == epcBERENDSEN)
+        if (ir->epc == epcBERENDSEN || ir->epc == epcCRESCALE)
         {
             state->flags |= (1 << estBAROS_INT);
         }

diff --git a/src/gromacs/mdlib/update_constrain_gpu.h b/src/gromacs/mdlib/update_constrain_gpu.h
index c0a5e9b21aa4c607361d1d4fabe081ef365b67cb..a30cbe825d305c92ccf9c211014bda5032b52dcc 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_gpu.h
+++ b/src/gromacs/mdlib/update_constrain_gpu.h
@@ -127,6 +127,14 @@ public:
      */
     void scaleCoordinates(const matrix scalingMatrix);
 
+    /*! \brief Scale velocities on the GPU for the pressure coupling.
+     *
+     * After pressure coupling step, the box size may change. In the C-Rescale algorithm, velocities should be scaled.
+     *
+     * \param[in] scalingMatrix Velocities scaling matrix.
+     */
+    void scaleVelocities(const matrix scalingMatrix);
+
     /*! \brief Set the pointers and update data-structures (e.g. after NB search step).
      *
      * \param[in,out]  d_x                 Device buffer with coordinates.

diff --git a/src/gromacs/mdlib/update_constrain_gpu_impl.cpp b/src/gromacs/mdlib/update_constrain_gpu_impl.cpp
index e2c7d3e94183eaa09ab1c6c98e6c66ab8cd4ceee..5c4afd2acd0757b48298ff9f3b8220ab71250319 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_gpu_impl.cpp
+++ b/src/gromacs/mdlib/update_constrain_gpu_impl.cpp
@@ -90,6 +90,12 @@ void UpdateConstrainGpu::scaleCoordinates(const matrix /* scalingMatrix */)
                "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
 }
 
+void UpdateConstrainGpu::scaleVelocities(const matrix /* scalingMatrix */)
+{
+    GMX_ASSERT(!impl_,
+               "A CPU stub for UpdateConstrain was called instead of the correct implementation.");
+}
+
 void UpdateConstrainGpu::set(DeviceBuffer<RVec> /* d_x */,
                              DeviceBuffer<RVec> /* d_v */,
                              const DeviceBuffer<RVec> /* d_f */,

diff --git a/src/gromacs/mdlib/update_constrain_gpu_impl.cu b/src/gromacs/mdlib/update_constrain_gpu_impl.cu
index 0f54925c90af9339ea3cf898e7cb625830fe58d5..ac92d8f36977461c41e0092f0336b3e57757b558 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_gpu_impl.cu
+++ b/src/gromacs/mdlib/update_constrain_gpu_impl.cu
@@ -167,6 +167,25 @@ void UpdateConstrainGpu::Impl::scaleCoordinates(const matrix scalingMatrix)
     deviceStream_.synchronize();
 }
 
+void UpdateConstrainGpu::Impl::scaleVelocities(const matrix scalingMatrix)
+{
+    ScalingMatrix mu;
+    mu.xx = scalingMatrix[XX][XX];
+    mu.yy = scalingMatrix[YY][YY];
+    mu.zz = scalingMatrix[ZZ][ZZ];
+    mu.yx = scalingMatrix[YY][XX];
+    mu.zx = scalingMatrix[ZZ][XX];
+    mu.zy = scalingMatrix[ZZ][YY];
+
+    const auto kernelArgs = prepareGpuKernelArguments(
+            scaleCoordinates_kernel, coordinateScalingKernelLaunchConfig_, &numAtoms_, &d_v_, &mu);
+    launchGpuKernel(scaleCoordinates_kernel, coordinateScalingKernelLaunchConfig_, deviceStream_,
+                    nullptr, "scaleCoordinates_kernel", kernelArgs);
+    // TODO: Although this only happens on the pressure coupling steps, this synchronization
+    //       can affect the perfornamce if nstpcouple is small.
+    deviceStream_.synchronize();
+}
+
 UpdateConstrainGpu::Impl::Impl(const t_inputrec&     ir,
                                const gmx_mtop_t&     mtop,
                                const DeviceContext&  deviceContext,
@@ -263,6 +282,11 @@ void UpdateConstrainGpu::scaleCoordinates(const matrix scalingMatrix)
     impl_->scaleCoordinates(scalingMatrix);
 }
 
+void UpdateConstrainGpu::scaleVelocities(const matrix scalingMatrix)
+{
+    impl_->scaleVelocities(scalingMatrix);
+}
+
 void UpdateConstrainGpu::set(DeviceBuffer<RVec>            d_x,
                              DeviceBuffer<RVec>            d_v,
                              const DeviceBuffer<RVec>      d_f,

diff --git a/src/gromacs/mdlib/update_constrain_gpu_impl.h b/src/gromacs/mdlib/update_constrain_gpu_impl.h
index 8aacc28a610d5d84fa1203578749519b875cf359..a191cc85b7fe9aa14ef7141f1d4e25b7a65599a7 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_gpu_impl.h
+++ b/src/gromacs/mdlib/update_constrain_gpu_impl.h
@@ -129,6 +129,14 @@ public:
      */
     void scaleCoordinates(const matrix scalingMatrix);
 
+    /*! \brief Scale velocities on the GPU for the pressure coupling.
+     *
+     * After pressure coupling step, the box size may change. In the C-Rescale algorithm, velocities should be scaled.
+     *
+     * \param[in] scalingMatrix Velocities scaling matrix.
+     */
+    void scaleVelocities(const matrix scalingMatrix);
+
     /*! \brief Set the pointers and update data-structures (e.g. after NB search step).
      *
      * \param[in,out]  d_x            Device buffer with coordinates.

diff --git a/src/gromacs/mdrun/md.cpp b/src/gromacs/mdrun/md.cpp
index 9d89d6541be9601cfcfefa88226138aed396a516..9edb2f4c5504cd0234c6ffbd42ef35c07bac8f0e 100644 (file)
--- a/src/gromacs/mdrun/md.cpp
+++ b/src/gromacs/mdrun/md.cpp
@@ -73,6 +73,7 @@
 #include "gromacs/imd/imd.h"
 #include "gromacs/listed_forces/listed_forces.h"
 #include "gromacs/math/functions.h"
+#include "gromacs/math/invertmatrix.h"
 #include "gromacs/math/vec.h"
 #include "gromacs/math/vectypes.h"
 #include "gromacs/mdlib/checkpointhandler.h"
@@ -379,9 +380,11 @@ void gmx::LegacySimulator::do_md()
         GMX_RELEASE_ASSERT(
                 ir->etc != etcNOSEHOOVER,
                 "Nose-Hoover temperature coupling is not supported with the GPU update.\n");
-        GMX_RELEASE_ASSERT(ir->epc == epcNO || ir->epc == epcPARRINELLORAHMAN || ir->epc == epcBERENDSEN,
-                           "Only Parrinello-Rahman and Berendsen pressure coupling are supported "
-                           "with the GPU update.\n");
+        GMX_RELEASE_ASSERT(
+                ir->epc == epcNO || ir->epc == epcPARRINELLORAHMAN || ir->epc == epcBERENDSEN
+                        || ir->epc == epcCRESCALE,
+                "Only Parrinello-Rahman, Berendsen, and C-rescale pressure coupling are supported "
+                "with the GPU update.\n");
         GMX_RELEASE_ASSERT(!mdatoms->haveVsites,
                            "Virtual sites are not supported with the GPU update.\n");
         GMX_RELEASE_ASSERT(ed == nullptr,
@@ -1455,9 +1458,18 @@ void gmx::LegacySimulator::do_md()
 
         const bool doBerendsenPressureCoupling =
                 (inputrec->epc == epcBERENDSEN && do_per_step(step, inputrec->nstpcouple));
-        if (useGpuForUpdate && (doBerendsenPressureCoupling || doParrinelloRahman))
+        const bool doCRescalePressureCoupling =
+                (inputrec->epc == epcCRESCALE && do_per_step(step, inputrec->nstpcouple));
+        if (useGpuForUpdate
+            && (doBerendsenPressureCoupling || doCRescalePressureCoupling || doParrinelloRahman))
         {
             integrator->scaleCoordinates(pressureCouplingMu);
+            if (doCRescalePressureCoupling)
+            {
+                matrix pressureCouplingInvMu;
+                gmx::invertBoxMatrix(pressureCouplingMu, pressureCouplingInvMu);
+                integrator->scaleVelocities(pressureCouplingInvMu);
+            }
             integrator->setPbc(PbcType::Xyz, state->box);
         }
 

diff --git a/src/gromacs/mdtypes/inputrec.cpp b/src/gromacs/mdtypes/inputrec.cpp
index 89dc64b4ca79732017658cc88d1e1b2d8beb0ffd..e1f25314bd22b8e281d7ad94f8cb34dd23afba03 100644 (file)
--- a/src/gromacs/mdtypes/inputrec.cpp
+++ b/src/gromacs/mdtypes/inputrec.cpp
@@ -183,7 +183,8 @@ int pcouple_min_integration_steps(int epc)
     switch (epc)
     {
         case epcNO: n = 0; break;
-        case etcBERENDSEN:
+        case epcBERENDSEN:
+        case epcCRESCALE:
         case epcISOTROPIC: n = nstmin_berendsen_pcouple; break;
         case epcPARRINELLORAHMAN:
         case epcMTTK: n = nstmin_harmonic; break;

diff --git a/src/gromacs/mdtypes/md_enums.cpp b/src/gromacs/mdtypes/md_enums.cpp
index 0f7c687f7e921a6a45e3950a4740779c5f93a972..65eef2ff80294259cfa8b9b8a8c5cc400b9a5fbf 100644 (file)
--- a/src/gromacs/mdtypes/md_enums.cpp
+++ b/src/gromacs/mdtypes/md_enums.cpp
@@ -99,9 +99,9 @@ const char* etcoupl_names[etcNR + 1] = {
     "No", "Berendsen", "Nose-Hoover", "yes", "Andersen", "Andersen-massive", "V-rescale", nullptr
 }; /* yes is alias for berendsen */
 
-const char* epcoupl_names[epcNR + 1] = {
-    "No", "Berendsen", "Parrinello-Rahman", "Isotropic", "MTTK", nullptr
-}; /* isotropic is alias for berendsen */
+const char* epcoupl_names[epcNR + 1] = { "No",        "Berendsen", "Parrinello-Rahman",
+                                         "Isotropic", "MTTK",      "C-rescale",
+                                         nullptr }; /* isotropic is alias for berendsen */
 
 const char* epcoupltype_names[epctNR + 1] = { "Isotropic", "Semiisotropic", "Anisotropic",
                                               "Surface-Tension", nullptr };

diff --git a/src/gromacs/mdtypes/md_enums.h b/src/gromacs/mdtypes/md_enums.h
index 2fb7296bdac60bb1928e9202b754a56027384ad2..508a94f6bf16f2314cca7425277b46a6c5724563 100644 (file)
--- a/src/gromacs/mdtypes/md_enums.h
+++ b/src/gromacs/mdtypes/md_enums.h
@@ -115,6 +115,7 @@ enum
     epcPARRINELLORAHMAN,
     epcISOTROPIC,
     epcMTTK,
+    epcCRESCALE,
     epcNR
 };
 //! String corresponding to pressure coupling algorithm

diff --git a/src/gromacs/taskassignment/decidegpuusage.cpp b/src/gromacs/taskassignment/decidegpuusage.cpp
index 2d11adbfedc973cd71b10b6c2b89019975d283a1..1083c67fa4c1b263bf356d052a2e8cb735aa4fca 100644 (file)
--- a/src/gromacs/taskassignment/decidegpuusage.cpp
+++ b/src/gromacs/taskassignment/decidegpuusage.cpp
@@ -617,9 +617,12 @@ bool decideWhetherToUseGpuForUpdate(const bool                     isDomainDecom
     {
         errorMessage += "Nose-Hoover temperature coupling is not supported.\n";
     }
-    if (!(inputrec.epc == epcNO || inputrec.epc == epcPARRINELLORAHMAN || inputrec.epc == epcBERENDSEN))
+    if (!(inputrec.epc == epcNO || inputrec.epc == epcPARRINELLORAHMAN
+          || inputrec.epc == epcBERENDSEN || inputrec.epc == epcCRESCALE))
     {
-        errorMessage += "Only Parrinello-Rahman and Berendsen pressure coupling are supported.\n";
+        errorMessage +=
+                "Only Parrinello-Rahman, Berendsen, and C-rescale pressure coupling are "
+                "supported.\n";
     }
     if (EEL_PME_EWALD(inputrec.coulombtype) && inputrec.epsilon_surface != 0)
     {

diff --git a/src/gromacs/utility/pleasecite.cpp b/src/gromacs/utility/pleasecite.cpp
index b9deebf809398b6f7f6cccd39b303b5598a7de29..c5985c48fdbc7e1dd791a349233537951f17a1e4 100644 (file)
--- a/src/gromacs/utility/pleasecite.cpp
+++ b/src/gromacs/utility/pleasecite.cpp
@@ -293,6 +293,9 @@ void please_cite(FILE* fp, const char* key)
         { "Lindahl2014", "V. Lindahl, J. Lidmar, B. Hess",
           "Accelerated weight histogram method for exploring free energy landscapes",
           "J. Chem. Phys.", 141, 2014, "044110" },
+        { "Bernetti2020", "M. Bernetti, G. Bussi",
+          "Pressure control using stochastic cell rescaling", "J. Chem. Phys.", 153, 2020,
+          "114107" },
     };
 #define NSTR static_cast<int>(asize(citedb))
 

diff --git a/src/programs/mdrun/tests/exactcontinuation.cpp b/src/programs/mdrun/tests/exactcontinuation.cpp
index ba2abb9b61a423347178e704d286beaa760a96df..ed70e3d6635cefb9a5aa1694f9cf8eb6122cfed5 100644 (file)
--- a/src/programs/mdrun/tests/exactcontinuation.cpp
+++ b/src/programs/mdrun/tests/exactcontinuation.cpp
@@ -461,12 +461,13 @@ INSTANTIATE_TEST_CASE_P(
                            ::testing::Values("berendsen", "v-rescale", "nose-hoover"),
                            ::testing::Values("no")));
 
-INSTANTIATE_TEST_CASE_P(NPH,
-                        MdrunNoAppendContinuationIsExact,
-                        ::testing::Combine(::testing::Values("argon12"),
-                                           ::testing::Values("md", "md-vv"),
-                                           ::testing::Values("no"),
-                                           ::testing::Values("berendsen", "parrinello-rahman")));
+INSTANTIATE_TEST_CASE_P(
+        NPH,
+        MdrunNoAppendContinuationIsExact,
+        ::testing::Combine(::testing::Values("argon12"),
+                           ::testing::Values("md", "md-vv"),
+                           ::testing::Values("no"),
+                           ::testing::Values("berendsen", "parrinello-rahman", "C-rescale")));
 
 INSTANTIATE_TEST_CASE_P(
         NPT,
@@ -474,7 +475,7 @@ INSTANTIATE_TEST_CASE_P(
         ::testing::Combine(::testing::Values("argon12"),
                            ::testing::Values("md", "md-vv"),
                            ::testing::Values("berendsen", "v-rescale", "nose-hoover"),
-                           ::testing::Values("berendsen", "parrinello-rahman")));
+                           ::testing::Values("berendsen", "parrinello-rahman", "C-rescale")));
 
 INSTANTIATE_TEST_CASE_P(MTTK,
                         MdrunNoAppendContinuationIsExact,

diff --git a/src/programs/mdrun/tests/periodicactions.cpp b/src/programs/mdrun/tests/periodicactions.cpp
index 41c69ab839ecdf2ce86b1373695956905fca2b17..6dc8f02e42893306476c85f3410e3f5058363c83 100644 (file)
--- a/src/programs/mdrun/tests/periodicactions.cpp
+++ b/src/programs/mdrun/tests/periodicactions.cpp
@@ -326,7 +326,7 @@ std::vector<PropagationParameters> propagationParametersWithCoupling()
                 {
                     continue;
                 }
-                for (std::string pcoupl : { "no", "Berendsen", "Parrinello-Rahman" })
+                for (std::string pcoupl : { "no", "Berendsen", "Parrinello-Rahman", "C-rescale" })
                 {
                     // VV supports few algorithm combinations
                     if (integrator == "md-vv")
@@ -393,7 +393,7 @@ std::vector<PropagationParameters> propagationParametersWithConstraints()
                 {
                     continue;
                 }
-                for (std::string pcoupl : { "no", "Parrinello-Rahman" })
+                for (std::string pcoupl : { "no", "Parrinello-Rahman", "C-rescale" })
                 {
                     // VV supports few algorithm combinations
                     if (integrator == "md-vv")

diff --git a/tests/physicalvalidation/systems.json b/tests/physicalvalidation/systems.json
index eb3601c94192e8d81d884c265b6ae2f3ce36d167..c10e59c01936c7b6dfbd6b15c28c4470959f3974 100644 (file)
--- a/tests/physicalvalidation/systems.json
+++ b/tests/physicalvalidation/systems.json
@@ -43,6 +43,14 @@
       {"test": "kin_mb", "args": "-t 0.01"}
     ]
   },
+  {
+    "name": "ens_argon_md_verlet_pme_vr_cr",
+    "dir": "ens_argon_md_verlet_pme_vr_cr",
+    "tests": [
+      {"test": "ensemble", "args": "-t 4 --dtemp 3 0 3 --dpress 0 75 75"},
+      {"test": "kin_mb", "args": "-t 0.01"}
+    ]
+  },
   {
     "name": "ens_argon_md-vv_verlet_pme_nh_mttk",
     "dir": "ens_argon_md-vv_verlet_pme_nh_mttk",
@@ -75,6 +83,14 @@
       {"test": "kin_mb", "args": "-t 0.01"}
     ]
   },
+  {
+    "name": "ens_water_md_verlet_settle_pme_vr_cr",
+    "dir": "ens_water_md_verlet_settle_pme_vr_cr",
+    "tests": [
+      {"test": "ensemble", "args": "-t 4 --dtemp 8 0 8 --dpress 0 300 300"},
+      {"test": "kin_mb", "args": "-t 0.01"}
+    ]
+  },
   {
     "name": "ens_water_md-vv_verlet_none_pme_nh_mttk",
     "dir": "ens_water_md-vv_verlet_none_pme_nh_mttk",

diff --git a/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.gro b/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.gro
new file mode 100644 (file)
index 0000000..de02ad5
--- /dev/null
+++ b/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.gro
@@ -0,0 +1,1003 @@
+Argon
+ 1000
+    1Ar      Ar    1   2.533   1.244   3.506 -0.0749  0.2125 -0.0713
+    2Ar      Ar    2   0.830   2.544   3.448  0.0461 -0.2387  0.1631
+    3Ar      Ar    3   1.091   0.110   3.129 -0.1081 -0.0036  0.2684
+    4Ar      Ar    4   2.455   0.005   3.012 -0.0567  0.1248  0.1786
+    5Ar      Ar    5   2.714   1.353   0.553 -0.2272 -0.0971  0.0084
+    6Ar      Ar    6   3.051   2.893   2.691  0.1208 -0.0197  0.0394
+    7Ar      Ar    7   1.422   2.770   0.146  0.2114 -0.1777  0.2451
+    8Ar      Ar    8   2.223   1.211   3.268  0.1112  0.0773 -0.0010
+    9Ar      Ar    9   2.811   2.789   2.385  0.0333  0.2149  0.0648
+   10Ar      Ar   10   0.487   1.159   1.171 -0.0877  0.4255 -0.1060
+   11Ar      Ar   11   1.948   3.596   1.113 -0.1852  0.2282  0.0956
+   12Ar      Ar   12   0.287   1.483   1.288 -0.0050  0.0967  0.0553
+   13Ar      Ar   13   3.473   1.423   3.491  0.3454  0.1668  0.3127
+   14Ar      Ar   14   1.867   1.667   3.566  0.2642 -0.0392  0.0957
+   15Ar      Ar   15   3.270   0.640   2.913 -0.0228  0.0373  0.0717
+   16Ar      Ar   16   0.166   3.035   3.180 -0.0995  0.2913  0.0265
+   17Ar      Ar   17   2.789   0.382   0.246  0.0989 -0.2625  0.3344
+   18Ar      Ar   18   2.775   1.928   1.420 -0.0916  0.0197  0.1115
+   19Ar      Ar   19   0.175   1.376   0.463 -0.0497 -0.0436  0.1417
+   20Ar      Ar   20   1.597   1.275   3.507 -0.1063 -0.2090  0.0628
+   21Ar      Ar   21   1.535   1.147   0.297  0.0330 -0.0986 -0.0752
+   22Ar      Ar   22   1.674   1.890   0.180  0.0392 -0.2388  0.1145
+   23Ar      Ar   23   1.437   1.660   0.424  0.0764 -0.1178 -0.3344
+   24Ar      Ar   24   2.998   0.566   0.463 -0.1022  0.1264  0.0310
+   25Ar      Ar   25   1.927   0.415   3.214  0.1665 -0.1610  0.0644
+   26Ar      Ar   26   0.860   1.729   2.474 -0.0491 -0.0600 -0.0552
+   27Ar      Ar   27   2.491   2.905   1.239  0.0138  0.0215 -0.0270
+   28Ar      Ar   28   2.717   0.733   0.262  0.1447 -0.0472  0.0678
+   29Ar      Ar   29   2.103   1.782   3.249 -0.1029 -0.2082 -0.1089
+   30Ar      Ar   30   2.393   0.189   1.594  0.0959 -0.1750 -0.1390
+   31Ar      Ar   31   2.105   2.797   1.067 -0.2263 -0.2551 -0.0428
+   32Ar      Ar   32   1.812   3.375   0.834 -0.1092  0.0714 -0.0168
+   33Ar      Ar   33   2.015   3.135   2.218  0.0421  0.0626  0.0457
+   34Ar      Ar   34   0.315   2.332   3.096 -0.1319 -0.0921 -0.2353
+   35Ar      Ar   35   2.484   2.504   1.962 -0.0198  0.0860  0.0396
+   36Ar      Ar   36   0.591   1.319   0.329 -0.1499  0.2838  0.0744
+   37Ar      Ar   37   1.042   0.394   2.284  0.0557 -0.2661  0.1453
+   38Ar      Ar   38   2.544   1.970   2.454 -0.0680  0.2097 -0.0050
+   39Ar      Ar   39   2.064   1.298   2.670  0.1595  0.0820 -0.2762
+   40Ar      Ar   40   1.993   3.249   1.113 -0.1005  0.1012  0.1843
+   41Ar      Ar   41   2.177   2.682   0.611 -0.1297 -0.1616 -0.0014
+   42Ar      Ar   42   1.844   1.288   0.167 -0.0554 -0.0176 -0.0601
+   43Ar      Ar   43   3.317   1.902   2.451  0.1042 -0.0009  0.1511
+   44Ar      Ar   44   3.312   1.042   1.326 -0.0010 -0.0410 -0.0760
+   45Ar      Ar   45   0.387   3.520   2.838  0.2160  0.1082  0.1900
+   46Ar      Ar   46   0.998   2.654   2.703 -0.0893 -0.1752  0.0437
+   47Ar      Ar   47   2.486   0.876   1.551  0.0045  0.1747 -0.1327
+   48Ar      Ar   48   3.316   1.456   1.975  0.1589 -0.0295 -0.1114
+   49Ar      Ar   49   0.838   3.053   2.882  0.0435 -0.0018  0.0789
+   50Ar      Ar   50   1.773   2.952   0.987 -0.0380 -0.0561  0.2600
+   51Ar      Ar   51   0.779   0.470   0.196 -0.0461 -0.1151 -0.0412
+   52Ar      Ar   52   1.449   1.330   0.627 -0.1764 -0.2771 -0.0624
+   53Ar      Ar   53   2.926   0.025   0.799 -0.0068 -0.0498  0.1138
+   54Ar      Ar   54   2.117   2.902   3.524  0.1091 -0.0457 -0.0181
+   55Ar      Ar   55   2.089   2.473   0.944  0.1079  0.1839 -0.0097
+   56Ar      Ar   56   2.259   0.606   1.373  0.1068 -0.2380  0.1343
+   57Ar      Ar   57   1.090   1.220   1.856 -0.2366  0.0192 -0.0343
+   58Ar      Ar   58   1.544   2.364   2.987 -0.1069  0.1920 -0.2520
+   59Ar      Ar   59   2.489   3.536   2.061  0.1609 -0.0792  0.1900
+   60Ar      Ar   60   2.837   0.810   2.711  0.0216 -0.0826 -0.0739
+   61Ar      Ar   61   2.906   1.363   1.941  0.1090 -0.0278  0.0470
+   62Ar      Ar   62   0.297   3.228   3.448  0.1368 -0.0617 -0.3988
+   63Ar      Ar   63   1.157   1.861   1.736 -0.0056 -0.0222  0.1853
+   64Ar      Ar   64   0.839   2.062   0.355 -0.0216 -0.0037  0.1995
+   65Ar      Ar   65   0.582   3.588   0.624 -0.0985 -0.1411 -0.0879
+   66Ar      Ar   66   0.689   1.503   1.180 -0.0068  0.1235 -0.0196
+   67Ar      Ar   67   1.851   1.600   0.335 -0.1688  0.3419 -0.0698
+   68Ar      Ar   68   3.335   2.586   0.788 -0.1364  0.3006  0.1641
+   69Ar      Ar   69   1.587   0.564   1.762  0.0444 -0.0793  0.1548
+   70Ar      Ar   70   3.267   0.028   2.631  0.0118 -0.1130  0.0186
+   71Ar      Ar   71   2.165   0.325   3.555  0.0099 -0.2618  0.2124
+   72Ar      Ar   72   2.367   2.008   0.309  0.0450 -0.0875 -0.0133
+   73Ar      Ar   73   2.101   0.908   0.748  0.0888 -0.2402 -0.1440
+   74Ar      Ar   74   0.085   0.654   2.376 -0.0812  0.0426 -0.0091
+   75Ar      Ar   75   2.065   3.168   1.867  0.1022 -0.1702  0.0031
+   76Ar      Ar   76   3.271   0.907   1.679 -0.2444  0.2808  0.2807
+   77Ar      Ar   77   2.667   0.714   1.093 -0.1353  0.0163 -0.2375
+   78Ar      Ar   78   0.002   3.262   0.164 -0.0167  0.1076 -0.0954
+   79Ar      Ar   79   1.809   0.712   0.475 -0.1923 -0.0626 -0.0481
+   80Ar      Ar   80   3.156   2.483   2.502  0.0639 -0.0438 -0.0605
+   81Ar      Ar   81   3.139   1.549   1.228  0.1348  0.0872 -0.0531
+   82Ar      Ar   82   2.600   1.399   1.776 -0.0614  0.1016 -0.0274
+   83Ar      Ar   83   3.412   0.889   2.320  0.0382  0.0444 -0.0585
+   84Ar      Ar   84   0.984   0.171   2.008 -0.1707  0.1991  0.0613
+   85Ar      Ar   85   0.569   1.202   2.836  0.1104  0.1151  0.2225
+   86Ar      Ar   86   2.233   3.412   3.370  0.0190  0.0309  0.1996
+   87Ar      Ar   87   2.631   2.595   0.591  0.0441 -0.3122 -0.0233
+   88Ar      Ar   88   3.453   3.562   1.737  0.1032 -0.1397  0.1212
+   89Ar      Ar   89   2.194   1.210   0.424 -0.0223  0.1718 -0.0009
+   90Ar      Ar   90   1.530   2.681   0.836 -0.2199 -0.0124 -0.2109
+   91Ar      Ar   91   2.040   1.327   2.273  0.1754  0.1196  0.1501
+   92Ar      Ar   92   1.414   0.851   0.129 -0.1633  0.0950 -0.0447
+   93Ar      Ar   93   1.481   0.978   3.323 -0.1616 -0.2807  0.0552
+   94Ar      Ar   94   0.489   0.401   1.075  0.2383  0.1319  0.0540
+   95Ar      Ar   95   1.284   3.061   0.363  0.1622  0.0141 -0.1408
+   96Ar      Ar   96   1.695   3.539   2.321 -0.0538  0.0879 -0.1125
+   97Ar      Ar   97   0.824   1.447   2.768  0.0184 -0.2029 -0.0700
+   98Ar      Ar   98   0.982   2.280   3.150  0.0398  0.0700 -0.0267
+   99Ar      Ar   99   1.123   0.632   0.586 -0.0326  0.0746 -0.1378
+  100Ar      Ar  100   3.172   2.797   1.024 -0.0382 -0.1180 -0.3491
+  101Ar      Ar  101   0.667   0.338   0.688  0.0638 -0.1407  0.0922
+  102Ar      Ar  102   1.896   2.006   1.517  0.0599 -0.1564 -0.1114
+  103Ar      Ar  103   2.810   1.213   0.163 -0.1049  0.0989  0.0548
+  104Ar      Ar  104   2.244   2.694   0.185  0.2545  0.0700 -0.0211
+  105Ar      Ar  105   2.266   0.632   0.918 -0.2106  0.0821  0.1393
+  106Ar      Ar  106   0.133   2.603   2.783 -0.1697  0.0473  0.0031
+  107Ar      Ar  107   1.655   3.486   3.575 -0.1007 -0.0846 -0.0130
+  108Ar      Ar  108   2.105   3.112   3.225  0.1863 -0.2542 -0.0018
+  109Ar      Ar  109   1.034   3.206   2.140  0.0791 -0.0916  0.0480
+  110Ar      Ar  110   2.654   1.720   0.312 -0.0857  0.0024  0.0589
+  111Ar      Ar  111   1.451   2.015   0.427  0.1905  0.1229  0.2063
+  112Ar      Ar  112   0.383   2.109   3.452  0.2621  0.2684  0.1333
+  113Ar      Ar  113   1.848   1.991   3.441  0.0497  0.2942 -0.0935
+  114Ar      Ar  114   2.186   0.654   2.951  0.0180  0.1083 -0.0885
+  115Ar      Ar  115   3.127   0.029   0.083  0.0259 -0.0796  0.2566
+  116Ar      Ar  116   0.338   2.405   1.429 -0.0043 -0.0341 -0.0915
+  117Ar      Ar  117   0.492   2.902   1.755 -0.0616 -0.1002 -0.2206
+  118Ar      Ar  118   1.170   1.461   1.578 -0.0822  0.0728 -0.2015
+  119Ar      Ar  119   2.583   1.608   0.819  0.2193  0.1123 -0.2470
+  120Ar      Ar  120   0.699   2.079   2.550  0.1604 -0.2148 -0.0509
+  121Ar      Ar  121   1.076   2.057   2.256 -0.1748 -0.1709 -0.0985
+  122Ar      Ar  122   1.880   0.291   1.723  0.1891  0.1677 -0.0132
+  123Ar      Ar  123   3.106   1.751   1.543 -0.0233  0.1987  0.0587
+  124Ar      Ar  124   1.439   2.733   3.112  0.1172 -0.1423 -0.1773
+  125Ar      Ar  125   1.941   3.235   1.553 -0.1575 -0.1107 -0.3033
+  126Ar      Ar  126   1.041   2.959   0.947 -0.0616  0.0513 -0.1979
+  127Ar      Ar  127   3.279   0.901   0.452  0.1134  0.2595  0.2174
+  128Ar      Ar  128   1.466   1.414   3.108  0.1603  0.0571 -0.0031
+  129Ar      Ar  129   0.790   2.994   1.221  0.1406  0.1982 -0.0776
+  130Ar      Ar  130   0.096   2.599   0.807  0.0928 -0.1359  0.1040
+  131Ar      Ar  131   0.246   3.168   1.036  0.1414  0.1042  0.0422
+  132Ar      Ar  132   0.646   2.690   0.136 -0.0876 -0.2203 -0.0420
+  133Ar      Ar  133   1.805   1.050   1.452  0.0299 -0.0800  0.0791
+  134Ar      Ar  134   2.680   1.565   3.550 -0.1378  0.1958  0.1142
+  135Ar      Ar  135   1.078   1.558   3.123 -0.0364  0.0951  0.1912
+  136Ar      Ar  136   1.318   0.311   1.902  0.0563  0.1075 -0.1902
+  137Ar      Ar  137   0.760   2.090   2.137  0.1943  0.1011  0.2585
+  138Ar      Ar  138   2.148   3.500   0.450  0.0396  0.0292 -0.0063
+  139Ar      Ar  139   0.190   1.291   0.077  0.0612  0.1482  0.0060
+  140Ar      Ar  140   0.973   0.339   0.452  0.0580  0.0463  0.0477
+  141Ar      Ar  141   2.737   1.033   0.890  0.1256 -0.1668 -0.1147
+  142Ar      Ar  142   2.167   0.933   2.491  0.0875 -0.1183 -0.0030
+  143Ar      Ar  143   2.047   1.787   2.919  0.2607 -0.0939  0.0024
+  144Ar      Ar  144   3.274   0.920   0.839 -0.1171 -0.0446 -0.2806
+  145Ar      Ar  145   1.364   3.540   0.340 -0.0376  0.2738  0.0726
+  146Ar      Ar  146   0.531   0.648   1.823 -0.0625 -0.1097  0.1644
+  147Ar      Ar  147   3.393   0.649   0.077 -0.1207 -0.1858  0.0403
+  148Ar      Ar  148   0.769   3.466   2.947 -0.0106 -0.0452 -0.0248
+  149Ar      Ar  149   2.231   0.815   3.271 -0.1187  0.0810 -0.0382
+  150Ar      Ar  150   0.104   1.416   1.642 -0.0795 -0.0423  0.1962
+  151Ar      Ar  151   2.027   0.604   1.724  0.0368  0.2095  0.0752
+  152Ar      Ar  152   0.897   1.876   2.871 -0.0832  0.0202 -0.2575
+  153Ar      Ar  153   2.349   1.841   0.630 -0.1870  0.1069 -0.0616
+  154Ar      Ar  154   0.498   1.849   1.968  0.1339 -0.1877  0.1754
+  155Ar      Ar  155   1.806   0.533   1.460  0.0725 -0.1092  0.0020
+  156Ar      Ar  156   0.071   0.122   2.840 -0.0596  0.1463  0.2930
+  157Ar      Ar  157   2.952   2.961   1.787 -0.0827 -0.1748  0.1151
+  158Ar      Ar  158   2.203   0.740   2.009  0.0061 -0.3358 -0.3471
+  159Ar      Ar  159   1.773   1.122   2.433  0.3326 -0.0818 -0.2048
+  160Ar      Ar  160   0.280   1.198   0.756  0.0126  0.1049 -0.0584
+  161Ar      Ar  161   1.590   0.731   1.233 -0.0353  0.0494 -0.2069
+  162Ar      Ar  162   2.986   1.086   3.471 -0.1861 -0.0613 -0.2908
+  163Ar      Ar  163   1.106   1.082   1.481  0.0442  0.1456  0.1556
+  164Ar      Ar  164   0.788   0.629   2.148  0.0836  0.1618  0.0344
+  165Ar      Ar  165   1.801   2.139   2.460  0.0670  0.0495 -0.0848
+  166Ar      Ar  166   1.057   1.784   1.411 -0.1544 -0.2280  0.2349
+  167Ar      Ar  167   3.599   2.550   1.393 -0.0828 -0.0895 -0.0718
+  168Ar      Ar  168   2.127   0.891   0.281  0.1097 -0.1728 -0.1846
+  169Ar      Ar  169   0.480   1.651   1.586 -0.0530  0.1509 -0.2847
+  170Ar      Ar  170   0.337   0.970   0.143 -0.1076  0.0905  0.0728
+  171Ar      Ar  171   2.602   2.655   0.204  0.0918  0.3020  0.1643
+  172Ar      Ar  172   2.841   1.590   1.373  0.3828  0.0419  0.1547
+  173Ar      Ar  173   1.060   1.732   1.058  0.2372  0.2438  0.1438
+  174Ar      Ar  174   3.306   1.989   0.052 -0.1335 -0.0498  0.0813
+  175Ar      Ar  175   3.122   3.094   1.247 -0.2914  0.3106 -0.1361
+  176Ar      Ar  176   0.468   1.521   1.890 -0.1623  0.1552 -0.1455
+  177Ar      Ar  177   3.278   0.401   2.663 -0.0814  0.0735 -0.1181
+  178Ar      Ar  178   3.199   3.215   1.766 -0.1082  0.2998  0.0856
+  179Ar      Ar  179   2.938   1.185   2.508  0.1636  0.1028 -0.1936
+  180Ar      Ar  180   0.212   1.307   2.753  0.0279 -0.0552 -0.0825
+  181Ar      Ar  181   3.124   2.320   1.860 -0.2920  0.1096 -0.1793
+  182Ar      Ar  182   1.719   1.807   2.265 -0.1247  0.0978  0.1651
+  183Ar      Ar  183   0.948   0.467   2.602 -0.0014 -0.0121 -0.2507
+  184Ar      Ar  184   0.655   1.337   2.484  0.0858 -0.1501 -0.0315
+  185Ar      Ar  185   1.440   3.592   1.326  0.1219  0.0630 -0.0852
+  186Ar      Ar  186   0.560   0.773   1.198 -0.0378  0.0369 -0.0838
+  187Ar      Ar  187   1.528   0.868   2.431 -0.1013  0.2279 -0.0281
+  188Ar      Ar  188   0.319   0.363   2.303  0.0832  0.2163  0.0952
+  189Ar      Ar  189   1.517   2.585   2.751 -0.0696  0.1187  0.0852
+  190Ar      Ar  190   2.035   3.387   3.024  0.0230 -0.1239  0.1614
+  191Ar      Ar  191   3.222   3.412   0.762  0.0652 -0.0313 -0.0137
+  192Ar      Ar  192   2.517   0.411   0.475 -0.1049 -0.0835  0.0575
+  193Ar      Ar  193   2.937   0.255   2.845  0.3405 -0.1528 -0.0825
+  194Ar      Ar  194   3.150   2.996   3.026  0.1050  0.1129 -0.1547
+  195Ar      Ar  195   0.635   2.261   3.040  0.0995 -0.1058  0.0434
+  196Ar      Ar  196   0.636   1.198   2.038 -0.1159  0.2102  0.0686
+  197Ar      Ar  197   2.437   3.232   3.068  0.0507 -0.2243 -0.0930
+  198Ar      Ar  198   0.863   0.833   1.521 -0.1386 -0.2434  0.1023
+  199Ar      Ar  199   1.189   3.092   2.571  0.2493 -0.3856  0.0159
+  200Ar      Ar  200   0.503   2.049   0.544 -0.0478 -0.1911 -0.2353
+  201Ar      Ar  201   2.454   3.017   3.412  0.0410  0.1841 -0.1923
+  202Ar      Ar  202   0.680   3.149   1.569  0.0781  0.0613 -0.1196
+  203Ar      Ar  203   2.454   0.110   3.450  0.0821  0.2080  0.1157
+  204Ar      Ar  204   2.935   3.533   3.106 -0.0872 -0.2322 -0.0425
+  205Ar      Ar  205   0.731   0.070   0.965 -0.0839  0.0488 -0.0478
+  206Ar      Ar  206   3.582   0.833   2.709 -0.0653 -0.0010  0.0167
+  207Ar      Ar  207   2.802   2.198   1.143 -0.0345  0.0227 -0.1141
+  208Ar      Ar  208   3.516   1.163   0.733 -0.1713  0.1200  0.0072
+  209Ar      Ar  209   1.375   0.058   2.857  0.0574  0.1068  0.0312
+  210Ar      Ar  210   2.851   0.163   2.206 -0.1355  0.0587  0.0157
+  211Ar      Ar  211   2.652   1.345   2.210 -0.0688  0.0784  0.1077
+  212Ar      Ar  212   3.259   3.282   0.068 -0.2277  0.1086  0.1855
+  213Ar      Ar  213   2.602   2.550   1.244  0.0017 -0.1188 -0.0730
+  214Ar      Ar  214   1.510   3.571   3.185  0.2174 -0.0123  0.0523
+  215Ar      Ar  215   1.172   0.113   1.602 -0.1150 -0.1109  0.1234
+  216Ar      Ar  216   1.148   0.828   2.309 -0.2483  0.2681  0.0079
+  217Ar      Ar  217   1.829   0.047   1.445 -0.1038  0.0517  0.0987
+  218Ar      Ar  218   1.305   0.997   1.128  0.0583  0.1419  0.1957
+  219Ar      Ar  219   0.231   1.156   2.384  0.0735  0.0276  0.0522
+  220Ar      Ar  220   0.769   3.227   3.391 -0.0708 -0.1111  0.0615
+  221Ar      Ar  221   1.056   2.213   3.507  0.1695 -0.0990  0.1339
+  222Ar      Ar  222   0.985   3.555   3.483  0.1968  0.1633  0.1921
+  223Ar      Ar  223   3.260   1.137   0.123 -0.1033  0.3246 -0.2133
+  224Ar      Ar  224   1.676   1.002   0.986  0.0810 -0.4446 -0.1966
+  225Ar      Ar  225   0.964   1.181   2.534  0.1020  0.0880  0.0365
+  226Ar      Ar  226   3.079   1.980   1.169 -0.1290  0.1414 -0.0033
+  227Ar      Ar  227   2.651   2.062   2.067 -0.1578 -0.0612  0.2088
+  228Ar      Ar  228   1.160   1.842   0.364  0.2097  0.2974  0.0472
+  229Ar      Ar  229   0.323   0.302   3.271  0.2236 -0.0598 -0.1661
+  230Ar      Ar  230   0.734   3.328   0.402 -0.1028 -0.0186  0.1278
+  231Ar      Ar  231   3.565   0.123   3.263 -0.1946 -0.0365 -0.1423
+  232Ar      Ar  232   1.727   0.398   0.645 -0.0041 -0.3788  0.0503
+  233Ar      Ar  233   2.028   3.581   1.760  0.0867  0.0757 -0.1953
+  234Ar      Ar  234   2.737   2.500   2.557 -0.0368 -0.1178 -0.0832
+  235Ar      Ar  235   3.270   2.183   3.339  0.0142 -0.1703 -0.1667
+  236Ar      Ar  236   1.815   3.445   0.313 -0.1608  0.1962  0.0092
+  237Ar      Ar  237   3.028   1.240   2.847 -0.2249  0.1339  0.0394
+  238Ar      Ar  238   1.876   0.752   2.290  0.0725  0.0068  0.0269
+  239Ar      Ar  239   3.059   1.979   0.678 -0.1673  0.0563  0.0575
+  240Ar      Ar  240   1.229   2.363   2.634  0.0708  0.1681 -0.0234
+  241Ar      Ar  241   1.735   2.408   1.006 -0.0849  0.0113  0.1219
+  242Ar      Ar  242   1.738   2.346   3.289 -0.1186  0.0300  0.2035
+  243Ar      Ar  243   0.415   0.569   0.053 -0.2029  0.0503 -0.2183
+  244Ar      Ar  244   3.180   2.887   2.345  0.1838 -0.2714 -0.1704
+  245Ar      Ar  245   1.322   3.563   0.946  0.1157 -0.0133  0.1147
+  246Ar      Ar  246   2.072   1.948   0.876  0.0341 -0.2895  0.0707
+  247Ar      Ar  247   1.219   2.510   2.956  0.0702  0.0273  0.2218
+  248Ar      Ar  248   0.872   1.208   0.196 -0.0253 -0.1665 -0.0511
+  249Ar      Ar  249   2.234   1.472   1.733  0.2103  0.0270 -0.0001
+  250Ar      Ar  250   1.125   2.090   0.875  0.0278  0.0661 -0.1493
+  251Ar      Ar  251   1.494   1.331   1.015  0.0275 -0.0379  0.0595
+  252Ar      Ar  252   3.009   2.348   0.571 -0.1547 -0.0157  0.0774
+  253Ar      Ar  253   0.780   0.703   0.476 -0.0299 -0.0727 -0.1548
+  254Ar      Ar  254   1.403   3.317   2.199 -0.0959 -0.1316 -0.0009
+  255Ar      Ar  255   2.880   2.964   0.050 -0.0224  0.0515 -0.0066
+  256Ar      Ar  256   0.036   0.454   1.656  0.1766 -0.1231 -0.0055
+  257Ar      Ar  257   1.990   3.080   0.728 -0.0763 -0.0374  0.0242
+  258Ar      Ar  258   0.978   0.881   1.837  0.1228 -0.1251  0.1165
+  259Ar      Ar  259   0.872   2.067   1.165  0.2107  0.0591 -0.0278
+  260Ar      Ar  260   3.418   2.963   0.777  0.1980 -0.0738 -0.1187
+  261Ar      Ar  261   2.879   1.646   0.582  0.0223 -0.0196  0.1573
+  262Ar      Ar  262   0.222   0.558   1.955  0.1498 -0.0546  0.1113
+  263Ar      Ar  263   3.422   2.218   2.327  0.0659  0.1007 -0.0533
+  264Ar      Ar  264   0.080   0.863   0.448  0.0092 -0.0773 -0.0767
+  265Ar      Ar  265   1.057   2.952   0.574 -0.0158  0.0310  0.0743
+  266Ar      Ar  266   1.435   1.419   2.657  0.1135 -0.1981 -0.2033
+  267Ar      Ar  267   1.633   3.331   1.718  0.0522  0.2019  0.0565
+  268Ar      Ar  268   0.523   2.924   3.339  0.1897  0.1906  0.1074
+  269Ar      Ar  269   0.638   2.717   1.423  0.0702 -0.0151 -0.1701
+  270Ar      Ar  270   1.539   2.434   0.319 -0.0954 -0.0953 -0.2477
+  271Ar      Ar  271   3.591   1.771   3.478  0.0098  0.2185 -0.0599
+  272Ar      Ar  272   2.514   1.060   3.203 -0.0450 -0.0539  0.2200
+  273Ar      Ar  273   0.052   1.880   0.537 -0.0525  0.0612  0.0100
+  274Ar      Ar  274   0.960   2.403   0.687 -0.0543 -0.0433 -0.0258
+  275Ar      Ar  275   2.343   3.325   1.202 -0.0633 -0.1494  0.0067
+  276Ar      Ar  276   0.908   1.148   0.853  0.1182  0.2569 -0.0917
+  277Ar      Ar  277   3.068   0.258   3.254 -0.0722  0.3767 -0.0727
+  278Ar      Ar  278   3.235   3.335   3.026 -0.0717 -0.0758  0.1202
+  279Ar      Ar  279   3.478   1.444   1.371  0.0610  0.0014 -0.0588
+  280Ar      Ar  280   0.762   1.869   1.731 -0.0110 -0.1327  0.0091
+  281Ar      Ar  281   0.612   1.340   0.709 -0.0891 -0.1512  0.1210
+  282Ar      Ar  282   0.049   1.125   1.417  0.0336 -0.0723  0.0411
+  283Ar      Ar  283   3.599   2.238   1.983 -0.1265 -0.0075  0.0755
+  284Ar      Ar  284   3.471   1.129   1.814 -0.0841  0.0443  0.0037
+  285Ar      Ar  285   0.485   2.440   3.447  0.3550  0.0487 -0.1908
+  286Ar      Ar  286   0.704   2.212   0.881  0.1525  0.2014 -0.2512
+  287Ar      Ar  287   2.544   2.245   1.434 -0.1054 -0.0602 -0.0492
+  288Ar      Ar  288   2.701   0.730   1.856 -0.0827  0.2991 -0.1377
+  289Ar      Ar  289   0.309   0.206   0.302  0.0896  0.1132  0.1359
+  290Ar      Ar  290   1.756   3.462   2.014  0.0655 -0.0824 -0.0633
+  291Ar      Ar  291   1.032   2.848   2.305 -0.0777  0.0239 -0.0584
+  292Ar      Ar  292   3.416   1.781   1.334  0.0009 -0.1568 -0.0702
+  293Ar      Ar  293   1.513   2.779   0.473 -0.1477 -0.1735 -0.0217
+  294Ar      Ar  294   1.355   1.744   2.984  0.0885  0.0214 -0.1664
+  295Ar      Ar  295   2.420   2.326   2.658  0.3238  0.0160 -0.1162
+  296Ar      Ar  296   2.686   0.335   1.149 -0.0390 -0.1808 -0.1479
+  297Ar      Ar  297   0.797   0.671   0.823 -0.0456  0.0688  0.2837
+  298Ar      Ar  298   1.292   1.525   1.241 -0.0873  0.1290  0.0397
+  299Ar      Ar  299   0.437   0.038   1.135  0.0375 -0.1443  0.0573
+  300Ar      Ar  300   2.195   1.533   0.990 -0.2235 -0.0896  0.2008
+  301Ar      Ar  301   1.618   0.105   0.924 -0.0218  0.1085 -0.0008
+  302Ar      Ar  302   1.181   2.600   1.706 -0.1618  0.0794  0.1495
+  303Ar      Ar  303   0.926   2.940   0.256 -0.0525 -0.1396  0.0833
+  304Ar      Ar  304   1.430   1.991   0.794 -0.0254  0.0030  0.0356
+  305Ar      Ar  305   1.969   2.256   2.185 -0.0939 -0.1327 -0.2325
+  306Ar      Ar  306   3.057   1.209   0.442 -0.0248  0.1619 -0.0172
+  307Ar      Ar  307   2.864   3.493   2.733 -0.1355 -0.0678  0.0923
+  308Ar      Ar  308   0.739   2.895   2.560 -0.0995  0.0964  0.0538
+  309Ar      Ar  309   3.547   2.621   0.459 -0.0346  0.0023  0.2401
+  310Ar      Ar  310   1.700   0.223   1.997  0.0277 -0.0113  0.1684
+  311Ar      Ar  311   3.211   0.938   2.667  0.1409  0.0321  0.0080
+  312Ar      Ar  312   2.823   2.865   1.264  0.0551  0.0910  0.2440
+  313Ar      Ar  313   2.682   3.349   3.333  0.1166  0.1040 -0.0215
+  314Ar      Ar  314   0.213   0.165   1.776 -0.0765  0.1307 -0.0888
+  315Ar      Ar  315   1.324   1.208   2.330  0.0219  0.1077 -0.0138
+  316Ar      Ar  316   0.648   2.578   2.765  0.0379 -0.0065 -0.2623
+  317Ar      Ar  317   0.603   0.795   2.815  0.0014  0.1053 -0.1948
+  318Ar      Ar  318   2.759   3.320   2.098  0.0452 -0.3481 -0.1388
+  319Ar      Ar  319   2.653   2.262   0.825  0.2046 -0.0603 -0.1920
+  320Ar      Ar  320   1.647   2.880   2.296 -0.2388  0.0216  0.1445
+  321Ar      Ar  321   1.711   3.100   2.033 -0.0284 -0.0518 -0.0161
+  322Ar      Ar  322   3.526   1.235   2.157 -0.1738 -0.3112  0.0927
+  323Ar      Ar  323   1.471   1.549   0.071 -0.0613  0.0297  0.1846
+  324Ar      Ar  324   2.811   1.524   2.827 -0.1408  0.0872 -0.2802
+  325Ar      Ar  325   0.701   3.518   0.092 -0.1592 -0.1859  0.1041
+  326Ar      Ar  326   1.559   2.149   0.028 -0.0062 -0.1122 -0.0123
+  327Ar      Ar  327   1.944   1.028   2.134 -0.2960 -0.2788  0.2945
+  328Ar      Ar  328   2.901   1.805   0.022  0.2347  0.0599  0.2640
+  329Ar      Ar  329   1.757   2.848   3.312  0.0030  0.2814 -0.0952
+  330Ar      Ar  330   3.049   2.796   0.675 -0.1732  0.1245 -0.1581
+  331Ar      Ar  331   1.552   0.849   1.565  0.2460  0.0529 -0.0666
+  332Ar      Ar  332   0.422   3.207   0.685 -0.1616  0.0019  0.1057
+  333Ar      Ar  333   2.699   3.166   1.023 -0.1401 -0.1053 -0.1273
+  334Ar      Ar  334   0.924   0.967   2.817 -0.0291  0.2143 -0.0281
+  335Ar      Ar  335   2.256   2.569   1.271  0.0079 -0.0527 -0.2381
+  336Ar      Ar  336   3.508   2.666   2.414  0.0380  0.4444  0.0217
+  337Ar      Ar  337   3.164   1.753   3.372 -0.1589  0.0010  0.0391
+  338Ar      Ar  338   1.322   2.417   0.029  0.3737  0.0611 -0.0258
+  339Ar      Ar  339   0.817   1.051   0.521  0.0404 -0.0840  0.0352
+  340Ar      Ar  340   2.304   1.050   2.169 -0.0501  0.0725  0.1618
+  341Ar      Ar  341   2.927   2.334   3.166 -0.0217 -0.0106 -0.2871
+  342Ar      Ar  342   3.360   0.764   1.140  0.1381 -0.0166 -0.0356
+  343Ar      Ar  343   1.394   3.381   2.618  0.2438 -0.0886  0.2232
+  344Ar      Ar  344   0.003   1.665   1.059  0.0365  0.2781  0.0216
+  345Ar      Ar  345   2.335   1.366   2.022 -0.0270  0.0922 -0.0653
+  346Ar      Ar  346   1.145   2.631   3.314  0.0678  0.1113  0.0324
+  347Ar      Ar  347   1.396   1.651   0.901 -0.1575 -0.2051 -0.0023
+  348Ar      Ar  348   0.666   1.601   3.033 -0.0810  0.1854  0.1932
+  349Ar      Ar  349   1.182   3.465   1.894 -0.1653  0.1661 -0.0392
+  350Ar      Ar  350   3.306   0.527   2.304 -0.0480 -0.1123  0.0419
+  351Ar      Ar  351   0.586   2.987   0.906  0.1559 -0.0602 -0.0863
+  352Ar      Ar  352   0.395   0.948   1.450  0.1131 -0.1236 -0.1043
+  353Ar      Ar  353   0.158   3.547   1.485  0.1955  0.1335  0.2143
+  354Ar      Ar  354   1.379   1.860   1.144  0.0149  0.0719 -0.0618
+  355Ar      Ar  355   1.677   0.146   0.310  0.1241 -0.0660 -0.2245
+  356Ar      Ar  356   2.192   2.296   1.928  0.1264 -0.0896 -0.0253
+  357Ar      Ar  357   2.320   0.466   3.289 -0.1997  0.1873 -0.1052
+  358Ar      Ar  358   0.402   2.340   2.755  0.0094 -0.0682  0.0274
+  359Ar      Ar  359   1.876   2.718   0.763 -0.0602 -0.1893 -0.1273
+  360Ar      Ar  360   2.173   0.242   0.928  0.1566 -0.0386  0.1711
+  361Ar      Ar  361   0.269   1.608   3.026 -0.3331 -0.0309 -0.0071
+  362Ar      Ar  362   0.943   3.462   1.503  0.2326 -0.0509 -0.0475
+  363Ar      Ar  363   1.339   2.985   0.753 -0.1787 -0.1239 -0.0610
+  364Ar      Ar  364   0.644   2.991   0.488 -0.0494 -0.0535  0.0102
+  365Ar      Ar  365   1.157   1.970   2.646 -0.2544 -0.2327 -0.3646
+  366Ar      Ar  366   3.129   0.096   1.299 -0.1208 -0.2267  0.0677
+  367Ar      Ar  367   3.510   2.961   0.310  0.0381  0.1901  0.0190
+  368Ar      Ar  368   1.205   0.400   2.935 -0.0440 -0.0147  0.0435
+  369Ar      Ar  369   3.424   2.985   2.712  0.1109 -0.2234  0.1315
+  370Ar      Ar  370   1.791   1.132   2.767  0.0478 -0.0612  0.0931
+  371Ar      Ar  371   1.198   2.997   3.558  0.1984 -0.1224 -0.1370
+  372Ar      Ar  372   1.390   0.293   3.241  0.0241  0.0195  0.0420
+  373Ar      Ar  373   0.518   0.746   3.307 -0.0761 -0.1210 -0.0660
+  374Ar      Ar  374   3.092   2.682   1.632  0.1608 -0.1467 -0.0329
+  375Ar      Ar  375   2.426   1.239   1.507 -0.2231  0.1746  0.0274
+  376Ar      Ar  376   1.380   0.810   1.917 -0.0066 -0.0982  0.0684
+  377Ar      Ar  377   3.287   1.739   0.958 -0.0160 -0.1995 -0.0813
+  378Ar      Ar  378   0.049   0.509   2.695 -0.1687  0.0819 -0.1400
+  379Ar      Ar  379   0.557   1.699   2.673 -0.0694 -0.0332 -0.0003
+  380Ar      Ar  380   2.400   3.149   2.027 -0.0635  0.2839  0.0379
+  381Ar      Ar  381   1.804   2.977   1.335  0.0261 -0.1525  0.0437
+  382Ar      Ar  382   2.327   2.839   1.820  0.1049 -0.0370 -0.1615
+  383Ar      Ar  383   2.999   1.251   1.395 -0.0987  0.1470 -0.1154
+  384Ar      Ar  384   2.548   1.594   1.174 -0.2581 -0.2299  0.0113
+  385Ar      Ar  385   2.453   2.666   3.063 -0.0668 -0.2070 -0.1568
+  386Ar      Ar  386   2.532   0.271   0.809  0.2871  0.0029  0.0223
+  387Ar      Ar  387   0.006   0.973   0.057 -0.0366 -0.2394  0.1532
+  388Ar      Ar  388   1.772   2.843   0.057  0.0327  0.1302 -0.0774
+  389Ar      Ar  389   0.808   0.508   1.123  0.0976  0.2318  0.1174
+  390Ar      Ar  390   0.266   3.486   0.096 -0.0094  0.0513  0.0976
+  391Ar      Ar  391   3.229   0.230   0.619  0.0600 -0.1371 -0.0525
+  392Ar      Ar  392   1.801   0.907   0.129 -0.1419  0.1148 -0.1222
+  393Ar      Ar  393   3.389   2.262   2.701 -0.0580 -0.1728  0.1227
+  394Ar      Ar  394   0.908   1.848   3.573 -0.0867  0.0381  0.0953
+  395Ar      Ar  395   3.389   3.399   2.256 -0.0482 -0.0799 -0.0447
+  396Ar      Ar  396   0.257   2.792   1.499  0.1194  0.2002 -0.0863
+  397Ar      Ar  397   1.827   2.930   1.703  0.1229  0.1703 -0.0434
+  398Ar      Ar  398   0.587   0.519   2.489 -0.0267  0.2528  0.2250
+  399Ar      Ar  399   2.673   0.280   3.206  0.1003  0.0887 -0.0153
+  400Ar      Ar  400   1.050   3.358   3.135 -0.1199 -0.0156  0.0643
+  401Ar      Ar  401   1.836   1.100   0.491  0.2024 -0.0963  0.0754
+  402Ar      Ar  402   2.107   2.760   3.149 -0.0629 -0.0306  0.2479
+  403Ar      Ar  403   1.200   0.925   0.822  0.1515  0.0684  0.1617
+  404Ar      Ar  404   3.008   2.288   1.498  0.0546 -0.0893  0.2002
+  405Ar      Ar  405   3.396   3.216   1.049 -0.1847  0.1493 -0.0831
+  406Ar      Ar  406   1.580   0.119   1.688  0.2241  0.1777 -0.0923
+  407Ar      Ar  407   0.982   1.830   0.704  0.0629  0.0688 -0.0016
+  408Ar      Ar  408   2.030   0.504   1.120 -0.1768  0.2347  0.1318
+  409Ar      Ar  409   3.069   0.575   0.833  0.0987 -0.2289  0.1522
+  410Ar      Ar  410   0.725   2.196   3.588  0.2236  0.2017  0.0202
+  411Ar      Ar  411   2.467   1.276   0.956 -0.1676 -0.0840  0.0302
+  412Ar      Ar  412   1.195   0.751   1.333  0.1645  0.1301  0.0783
+  413Ar      Ar  413   2.121   1.374   3.579 -0.1538  0.0017  0.1215
+  414Ar      Ar  414   0.314   2.350   0.893  0.0456  0.0859  0.0692
+  415Ar      Ar  415   2.963   0.402   1.426  0.1354 -0.1858  0.0680
+  416Ar      Ar  416   1.096   0.057   1.182 -0.1146  0.0377 -0.1758
+  417Ar      Ar  417   2.660   1.101   1.265  0.1525 -0.2222 -0.0221
+  418Ar      Ar  418   0.816   0.006   2.565  0.1734  0.0141  0.0442
+  419Ar      Ar  419   1.673   1.710   3.281  0.0098  0.0049 -0.0543
+  420Ar      Ar  420   2.560   1.420   3.028  0.0349 -0.0891  0.1151
+  421Ar      Ar  421   1.661   1.283   1.671  0.0306  0.0407 -0.0547
+  422Ar      Ar  422   2.006   1.615   0.697  0.0823 -0.2593  0.0089
+  423Ar      Ar  423   1.021   2.430   1.108  0.4212 -0.0995  0.2735
+  424Ar      Ar  424   3.467   2.362   3.050  0.1978 -0.1435 -0.1243
+  425Ar      Ar  425   0.777   2.707   2.048 -0.1060 -0.0614 -0.0971
+  426Ar      Ar  426   0.590   1.003   2.398  0.0056 -0.1129  0.0379
+  427Ar      Ar  427   0.485   1.304   1.593 -0.0971  0.1830 -0.0939
+  428Ar      Ar  428   1.872   3.030   0.366  0.0970 -0.1276  0.0508
+  429Ar      Ar  429   2.289   0.280   0.263  0.0496 -0.0505  0.1475
+  430Ar      Ar  430   0.719   3.418   2.260 -0.0641 -0.2593 -0.2030
+  431Ar      Ar  431   2.053   0.573   0.646 -0.1567 -0.0648 -0.0135
+  432Ar      Ar  432   0.207   1.123   3.383  0.1397 -0.1612  0.0478
+  433Ar      Ar  433   2.407   2.666   2.571  0.0682 -0.1714 -0.0118
+  434Ar      Ar  434   1.791   2.090   0.789  0.0494 -0.0071 -0.2239
+  435Ar      Ar  435   1.138   1.335   3.363  0.0353 -0.1884  0.1132
+  436Ar      Ar  436   1.359   2.534   1.211  0.0372  0.1274  0.1133
+  437Ar      Ar  437   2.040   1.004   3.033 -0.0996 -0.0858 -0.2596
+  438Ar      Ar  438   1.538   3.265   1.047  0.1333 -0.0014  0.0807
+  439Ar      Ar  439   2.937   1.828   2.823 -0.0017  0.0760 -0.1590
+  440Ar      Ar  440   1.517   2.715   1.514  0.0869  0.1303 -0.0985
+  441Ar      Ar  441   0.433   0.964   0.495  0.0179  0.0537 -0.1138
+  442Ar      Ar  442   3.423   2.280   0.570 -0.3023 -0.0595 -0.2358
+  443Ar      Ar  443   1.704   1.768   0.640 -0.0051  0.0503  0.1047
+  444Ar      Ar  444   2.189   3.008   1.336  0.1134  0.0943  0.1220
+  445Ar      Ar  445   1.524   2.169   2.706  0.0256  0.0223  0.2183
+  446Ar      Ar  446   0.117   1.241   1.064 -0.0557 -0.2292 -0.0300
+  447Ar      Ar  447   2.184   0.116   2.760 -0.2160  0.0071 -0.0465
+  448Ar      Ar  448   1.732   0.202   3.481 -0.0144  0.0564  0.0773
+  449Ar      Ar  449   1.211   0.733   2.847  0.0569 -0.2349  0.1727
+  450Ar      Ar  450   2.659   2.011   0.601  0.0761  0.1058 -0.0987
+  451Ar      Ar  451   0.183   2.708   3.384 -0.0954  0.1649  0.0934
+  452Ar      Ar  452   3.394   2.353   0.016  0.0892 -0.2011 -0.0176
+  453Ar      Ar  453   2.847   0.677   3.382  0.1457 -0.0420  0.0299
+  454Ar      Ar  454   0.599   1.481   0.009  0.1518 -0.1001 -0.1050
+  455Ar      Ar  455   1.994   2.814   2.367 -0.1541  0.3403  0.1078
+  456Ar      Ar  456   1.821   0.759   3.171  0.0243  0.0124  0.0352
+  457Ar      Ar  457   3.523   0.845   3.104  0.0567 -0.0771 -0.0486
+  458Ar      Ar  458   1.505   2.767   1.873 -0.0022  0.2989  0.1032
+  459Ar      Ar  459   0.851   0.556   2.953  0.0690 -0.1880 -0.0610
+  460Ar      Ar  460   3.417   3.105   3.247 -0.1485  0.0798  0.2027
+  461Ar      Ar  461   2.371   1.534   2.674 -0.0125 -0.1743 -0.3612
+  462Ar      Ar  462   0.356   0.295   2.664 -0.1479  0.0196  0.0516
+  463Ar      Ar  463   0.033   2.367   1.098 -0.1928  0.1503  0.1642
+  464Ar      Ar  464   1.161   1.402   0.855  0.0559 -0.0921 -0.0656
+  465Ar      Ar  465   1.288   3.351   1.554  0.0581  0.2139 -0.1289
+  466Ar      Ar  466   1.082   3.312   0.500 -0.0662  0.0273 -0.1932
+  467Ar      Ar  467   2.755   2.330   0.228  0.0109  0.2684  0.0070
+  468Ar      Ar  468   2.889   3.178   2.575  0.1062  0.1600 -0.0178
+  469Ar      Ar  469   1.287   3.405   3.410  0.1462  0.0564  0.0789
+  470Ar      Ar  470   3.206   0.640   3.297 -0.2026 -0.0289 -0.1645
+  471Ar      Ar  471   3.021   0.323   1.066 -0.0890  0.1434 -0.0218
+  472Ar      Ar  472   0.828   2.706   0.561 -0.0357 -0.0031  0.1182
+  473Ar      Ar  473   2.706   1.149   2.792 -0.0053  0.0042  0.1441
+  474Ar      Ar  474   0.065   2.084   3.562 -0.2005  0.0114 -0.0910
+  475Ar      Ar  475   2.353   1.114   2.817 -0.1312  0.0722  0.0368
+  476Ar      Ar  476   3.283   1.209   2.407 -0.0824 -0.1107  0.0013
+  477Ar      Ar  477   3.443   2.726   0.063 -0.0850  0.0907  0.1129
+  478Ar      Ar  478   1.572   0.595   3.438 -0.2428  0.0627  0.0340
+  479Ar      Ar  479   3.276   1.622   0.574  0.0157 -0.1202 -0.0075
+  480Ar      Ar  480   2.803   0.953   0.493 -0.1170  0.0676  0.0412
+  481Ar      Ar  481   0.408   2.885   2.738 -0.0268 -0.1200  0.1064
+  482Ar      Ar  482   0.899   2.287   2.777 -0.0631 -0.2523  0.0386
+  483Ar      Ar  483   0.469   3.565   2.052 -0.2645  0.2281 -0.1096
+  484Ar      Ar  484   1.441   2.568   2.153 -0.2750 -0.0553 -0.2570
+  485Ar      Ar  485   1.095   2.700   0.060  0.0136 -0.2705 -0.1226
+  486Ar      Ar  486   2.883   3.213   1.497 -0.1332 -0.1251  0.0446
+  487Ar      Ar  487   3.227   2.506   2.130  0.1474  0.0430 -0.0847
+  488Ar      Ar  488   1.640   1.476   1.356 -0.1071  0.2731  0.0679
+  489Ar      Ar  489   3.330   0.124   2.984 -0.0347 -0.2169 -0.0219
+  490Ar      Ar  490   0.199   3.452   1.868  0.1214 -0.1134  0.2002
+  491Ar      Ar  491   1.153   2.600   0.396 -0.0347  0.0128  0.1749
+  492Ar      Ar  492   0.323   2.660   1.130  0.0532 -0.2201  0.0093
+  493Ar      Ar  493   0.814   2.899   3.499 -0.4200  0.0174 -0.0156
+  494Ar      Ar  494   2.771   3.018   3.257 -0.0446  0.0236 -0.0286
+  495Ar      Ar  495   1.094   2.788   1.284 -0.0339 -0.1892  0.1527
+  496Ar      Ar  496   2.703   2.739   1.570 -0.0228 -0.0178  0.0332
+  497Ar      Ar  497   1.604   1.010   2.101 -0.0457 -0.1146  0.0140
+  498Ar      Ar  498   0.878   0.673   3.442 -0.1224 -0.0250 -0.0234
+  499Ar      Ar  499   2.128   2.136   2.757 -0.0453 -0.0010  0.1204
+  500Ar      Ar  500   2.215   3.369   0.808 -0.1304  0.0007 -0.0096
+  501Ar      Ar  501   0.402   1.641   0.237  0.0298 -0.2017  0.0490
+  502Ar      Ar  502   2.918   1.943   2.409 -0.0775 -0.1300  0.0277
+  503Ar      Ar  503   0.540   3.369   1.347  0.0153  0.0537  0.2003
+  504Ar      Ar  504   1.487   1.153   1.350  0.0253  0.2292 -0.1962
+  505Ar      Ar  505   0.818   1.486   1.537 -0.2147 -0.1463  0.0370
+  506Ar      Ar  506   0.563   3.493   1.672 -0.0741  0.0714  0.0824
+  507Ar      Ar  507   0.657   0.195   3.139  0.0815 -0.0702 -0.0107
+  508Ar      Ar  508   1.973   0.641   3.511 -0.0876  0.0894  0.2324
+  509Ar      Ar  509   0.625   1.024   1.704  0.0285 -0.0735  0.1412
+  510Ar      Ar  510   0.091   3.130   1.906  0.0391 -0.0278  0.0776
+  511Ar      Ar  511   3.145   0.301   0.288 -0.1924  0.1736  0.0458
+  512Ar      Ar  512   2.360   0.337   2.950 -0.2611 -0.3061 -0.0326
+  513Ar      Ar  513   1.339   0.309   1.062  0.0088 -0.3096 -0.1839
+  514Ar      Ar  514   3.551   2.744   3.129  0.1050 -0.0996  0.1373
+  515Ar      Ar  515   2.771   0.100   1.413  0.0493  0.1460 -0.2551
+  516Ar      Ar  516   0.695   0.259   2.233 -0.0670  0.1752 -0.0303
+  517Ar      Ar  517   1.765   0.668   0.926 -0.1132 -0.1864 -0.0156
+  518Ar      Ar  518   0.915   2.423   0.209 -0.1443 -0.1254  0.0063
+  519Ar      Ar  519   2.387   2.856   2.231  0.0100  0.0722  0.1133
+  520Ar      Ar  520   0.520   2.160   1.181 -0.0412 -0.1773  0.1315
+  521Ar      Ar  521   1.898   0.747   2.765  0.1528 -0.1112 -0.0810
+  522Ar      Ar  522   0.037   0.806   0.812  0.2054  0.1012  0.0622
+  523Ar      Ar  523   1.729   2.670   1.224  0.0373  0.1481 -0.1489
+  524Ar      Ar  524   1.991   1.334   1.530 -0.0710 -0.1621 -0.0008
+  525Ar      Ar  525   3.497   0.280   0.326  0.0199 -0.1186 -0.0687
+  526Ar      Ar  526   2.767   2.838   0.905 -0.0328 -0.0731 -0.0007
+  527Ar      Ar  527   3.205   3.257   2.704  0.1417  0.1264 -0.0788
+  528Ar      Ar  528   2.384   1.920   1.322  0.1722 -0.0927 -0.0648
+  529Ar      Ar  529   3.053   1.305   0.758  0.2726 -0.0220 -0.1775
+  530Ar      Ar  530   1.545   2.342   1.439 -0.0371 -0.3024  0.1798
+  531Ar      Ar  531   0.969   3.276   0.088  0.1024  0.2626  0.1247
+  532Ar      Ar  532   2.371   2.344   0.066 -0.1036  0.0393  0.1314
+  533Ar      Ar  533   2.299   3.090   2.462 -0.2300  0.0532 -0.1694
+  534Ar      Ar  534   1.862   0.420   2.370  0.1020  0.0889 -0.2726
+  535Ar      Ar  535   2.965   2.106   3.484  0.0200 -0.0374  0.1738
+  536Ar      Ar  536   1.156   1.590   2.307  0.0107 -0.0524  0.2344
+  537Ar      Ar  537   1.135   2.836   1.981  0.0466  0.1414 -0.1459
+  538Ar      Ar  538   3.136   2.087   2.150  0.0622 -0.0304 -0.1800
+  539Ar      Ar  539   1.186   3.268   1.220  0.2102  0.0132 -0.0074
+  540Ar      Ar  540   0.099   0.664   3.393 -0.0816  0.1860  0.2068
+  541Ar      Ar  541   1.172   1.583   1.923  0.1190 -0.2111 -0.1517
+  542Ar      Ar  542   2.519   0.688   2.141  0.2087  0.0337  0.0625
+  543Ar      Ar  543   1.878   1.236   1.127  0.0410 -0.2033 -0.0249
+  544Ar      Ar  544   0.122   0.595   0.234  0.1948  0.1755 -0.0947
+  545Ar      Ar  545   3.197   0.156   2.314  0.2960 -0.1105 -0.0346
+  546Ar      Ar  546   2.719   2.341   3.476  0.0691  0.1825 -0.0538
+  547Ar      Ar  547   1.965   0.466   2.035 -0.1108 -0.1726  0.0095
+  548Ar      Ar  548   1.596   2.582   3.514  0.1451 -0.0797  0.1288
+  549Ar      Ar  549   3.329   0.298   3.532  0.2138 -0.2978 -0.1010
+  550Ar      Ar  550   1.163   2.949   1.558  0.1041  0.0506  0.0180
+  551Ar      Ar  551   0.004   1.621   0.208 -0.2024  0.1110  0.0927
+  552Ar      Ar  552   3.169   2.887   3.375  0.1557  0.0999  0.0568
+  553Ar      Ar  553   3.342   2.246   1.284 -0.1096 -0.2793 -0.3806
+  554Ar      Ar  554   3.250   1.669   0.131 -0.1467  0.1171 -0.1631
+  555Ar      Ar  555   0.073   1.217   3.077  0.0050  0.0530 -0.0351
+  556Ar      Ar  556   0.027   2.062   3.190 -0.2972  0.1257 -0.0241
+  557Ar      Ar  557   0.023   3.226   0.630 -0.0376  0.1000 -0.1891
+  558Ar      Ar  558   0.492   1.366   3.228 -0.1124  0.0135  0.1300
+  559Ar      Ar  559   2.460   2.018   1.731  0.0661  0.0937 -0.1974
+  560Ar      Ar  560   0.052   3.114   1.309  0.2490  0.0351  0.1246
+  561Ar      Ar  561   0.145   2.478   1.742  0.0952 -0.0451 -0.0957
+  562Ar      Ar  562   2.318   3.050   0.896 -0.1382  0.0459 -0.1475
+  563Ar      Ar  563   3.557   0.363   2.131  0.0863  0.0552 -0.0801
+  564Ar      Ar  564   0.870   0.512   1.771  0.0337  0.1995 -0.1886
+  565Ar      Ar  565   0.074   1.864   2.858 -0.1096  0.0917  0.0178
+  566Ar      Ar  566   2.192   3.521   1.449  0.0627 -0.1824 -0.0605
+  567Ar      Ar  567   0.698   1.574   2.229 -0.0481 -0.0439  0.0203
+  568Ar      Ar  568   1.010   0.013   0.294  0.1223 -0.2315  0.1369
+  569Ar      Ar  569   2.929   3.392   1.169  0.0217 -0.2874 -0.2680
+  570Ar      Ar  570   2.479   1.755   1.925 -0.0250  0.0445  0.0820
+  571Ar      Ar  571   2.490   1.004   0.259  0.0573  0.0739 -0.1134
+  572Ar      Ar  572   2.599   3.138   0.691 -0.0046 -0.0888 -0.1499
+  573Ar      Ar  573   3.212   1.128   2.040  0.0028 -0.0162  0.2109
+  574Ar      Ar  574   0.204   2.572   2.273  0.1334 -0.0723 -0.0980
+  575Ar      Ar  575   1.972   3.106   2.726 -0.1671  0.0181  0.0812
+  576Ar      Ar  576   2.667   3.575   1.033  0.0989  0.0481 -0.0942
+  577Ar      Ar  577   3.256   0.609   1.471 -0.1196  0.1307  0.1338
+  578Ar      Ar  578   0.157   2.486   0.096  0.0063  0.1377  0.0552
+  579Ar      Ar  579   2.629   2.017   0.019 -0.0199  0.2155 -0.0494
+  580Ar      Ar  580   0.351   2.901   0.055  0.0278 -0.2540 -0.1695
+  581Ar      Ar  581   2.131   0.969   1.447 -0.0057  0.1593 -0.1237
+  582Ar      Ar  582   1.709   0.378   1.162  0.0574  0.0233  0.0614
+  583Ar      Ar  583   3.248   3.200   0.492  0.1501 -0.2950  0.0508
+  584Ar      Ar  584   2.108   2.135   1.203 -0.1621 -0.1361 -0.0119
+  585Ar      Ar  585   0.440   0.195   1.496 -0.1960 -0.2335 -0.0892
+  586Ar      Ar  586   2.426   1.923   0.961  0.2363  0.2588  0.0480
+  587Ar      Ar  587   0.276   3.094   0.411 -0.1213 -0.0727 -0.0950
+  588Ar      Ar  588   0.564   2.557   1.742  0.1915 -0.1261 -0.1664
+  589Ar      Ar  589   2.115   2.157   3.505  0.0321 -0.0385  0.1320
+  590Ar      Ar  590   1.146   0.614   0.968  0.1012 -0.0808 -0.1208
+  591Ar      Ar  591   0.396   2.307   2.387 -0.1566  0.0343  0.1525
+  592Ar      Ar  592   2.381   1.535   3.333 -0.1327  0.1152  0.0392
+  593Ar      Ar  593   1.770   2.029   1.131 -0.0775 -0.0031  0.0707
+  594Ar      Ar  594   0.649   2.512   1.117 -0.2259 -0.0928 -0.0553
+  595Ar      Ar  595   2.277   1.776   3.592  0.1488  0.0530 -0.0578
+  596Ar      Ar  596   1.384   0.251   3.595 -0.1014  0.0420 -0.2608
+  597Ar      Ar  597   1.860   3.165   3.495 -0.2394 -0.1515  0.0041
+  598Ar      Ar  598   2.411   0.742   2.724  0.3017 -0.2367  0.1171
+  599Ar      Ar  599   1.360   0.144   0.668  0.0301  0.0605 -0.1875
+  600Ar      Ar  600   3.402   1.369   1.007  0.1406  0.0246  0.0916
+  601Ar      Ar  601   2.932   3.056   2.202 -0.0862  0.1944 -0.1226
+  602Ar      Ar  602   2.919   3.028   0.410  0.0925 -0.0854 -0.0877
+  603Ar      Ar  603   1.494   3.026   2.754 -0.1085 -0.1218 -0.2065
+  604Ar      Ar  604   3.024   0.460   3.559 -0.0208  0.0327  0.0177
+  605Ar      Ar  605   0.262   1.258   2.001 -0.1625  0.0566  0.1654
+  606Ar      Ar  606   1.358   3.135   1.868 -0.1020 -0.0103 -0.1408
+  607Ar      Ar  607   2.389   1.894   2.749  0.0919  0.0988  0.1149
+  608Ar      Ar  608   1.024   0.339   0.813 -0.1037 -0.0755 -0.2458
+  609Ar      Ar  609   2.467   0.281   2.260  0.0463 -0.0843  0.1339
+  610Ar      Ar  610   1.316   2.351   3.268 -0.1961  0.2579  0.1780
+  611Ar      Ar  611   0.139   3.444   3.125  0.0513 -0.0296  0.2520
+  612Ar      Ar  612   2.951   2.492   1.005 -0.1624  0.2638 -0.1224
+  613Ar      Ar  613   3.457   1.601   2.330  0.2738 -0.1474 -0.0943
+  614Ar      Ar  614   1.513   0.518   2.243 -0.2302  0.1798 -0.0516
+  615Ar      Ar  615   0.665   1.822   1.355 -0.0013 -0.0581  0.0467
+  616Ar      Ar  616   1.779   2.559   2.033 -0.2832 -0.0806  0.3007
+  617Ar      Ar  617   3.365   0.392   0.935 -0.1443 -0.0582 -0.1358
+  618Ar      Ar  618   2.234   1.262   1.221  0.1324  0.0128  0.0578
+  619Ar      Ar  619   1.505   1.023   2.981 -0.0185 -0.0495 -0.0014
+  620Ar      Ar  620   0.833   0.801   2.526  0.1242  0.0048  0.1105
+  621Ar      Ar  621   0.185   1.486   3.326 -0.0388  0.1152 -0.2672
+  622Ar      Ar  622   2.441   0.079   1.270 -0.0227  0.0958  0.0610
+  623Ar      Ar  623   2.927   3.292   0.642 -0.2373  0.1854 -0.1094
+  624Ar      Ar  624   1.193   2.888   2.902 -0.0566  0.1284  0.0750
+  625Ar      Ar  625   3.488   1.625   3.173 -0.0022  0.2499 -0.0339
+  626Ar      Ar  626   1.459   3.049   3.311 -0.0986 -0.2750 -0.0593
+  627Ar      Ar  627   1.589   1.837   1.413 -0.1846  0.1069 -0.1209
+  628Ar      Ar  628   1.379   0.324   0.363  0.0764  0.1558 -0.0032
+  629Ar      Ar  629   0.451   0.776   2.146 -0.0085 -0.0827  0.0801
+  630Ar      Ar  630   3.100   0.828   0.095 -0.0196 -0.0071  0.0532
+  631Ar      Ar  631   2.385   2.551   1.636 -0.2553 -0.0912  0.1777
+  632Ar      Ar  632   0.687   0.497   1.465  0.1954 -0.0537  0.0757
+  633Ar      Ar  633   0.823   1.279   3.099 -0.1699 -0.1697 -0.0370
+  634Ar      Ar  634   1.355   2.745   2.484  0.0942 -0.2115  0.3735
+  635Ar      Ar  635   1.363   2.373   0.814 -0.0342  0.0723 -0.0159
+  636Ar      Ar  636   0.272   1.958   0.873  0.2122 -0.0119 -0.2675
+  637Ar      Ar  637   1.784   1.472   2.863  0.3278  0.0295  0.1045
+  638Ar      Ar  638   3.561   3.337   3.436 -0.1909 -0.1496 -0.0688
+  639Ar      Ar  639   0.242   2.901   0.824  0.0605  0.0766 -0.0877
+  640Ar      Ar  640   2.628   0.428   3.543 -0.0035  0.1430  0.0459
+  641Ar      Ar  641   1.475   1.357   1.956  0.0936  0.0845 -0.2741
+  642Ar      Ar  642   1.905   1.447   3.275  0.1502  0.0533 -0.0463
+  643Ar      Ar  643   1.204   1.252   2.910 -0.0551 -0.1959 -0.4220
+  644Ar      Ar  644   0.960   1.556   0.118 -0.0615  0.1401  0.0190
+  645Ar      Ar  645   3.222   2.575   3.184  0.0199 -0.0680 -0.0873
+  646Ar      Ar  646   3.511   3.043   2.234  0.0134  0.0167 -0.0571
+  647Ar      Ar  647   2.660   0.684   0.701 -0.2185  0.0740 -0.0130
+  648Ar      Ar  648   1.466   1.662   1.680 -0.1893  0.1402  0.0501
+  649Ar      Ar  649   3.433   2.835   1.574 -0.1839  0.2828 -0.1695
+  650Ar      Ar  650   2.848   1.663   1.755 -0.0573  0.0121 -0.0901
+  651Ar      Ar  651   3.584   1.546   0.703  0.1196  0.0961  0.0898
+  652Ar      Ar  652   0.846   3.325   1.137 -0.0432  0.0220 -0.0348
+  653Ar      Ar  653   2.042   2.592   1.797 -0.0030  0.0316 -0.0313
+  654Ar      Ar  654   1.844   2.611   0.366  0.1615  0.1542  0.1215
+  655Ar      Ar  655   1.294   1.869   3.583 -0.0113  0.0613 -0.1065
+  656Ar      Ar  656   2.529   2.312   3.145  0.2356  0.0740  0.0891
+  657Ar      Ar  657   1.669   2.996   0.663 -0.0147 -0.1557 -0.1780
+  658Ar      Ar  658   0.500   2.709   0.727 -0.0489 -0.0229  0.0449
+  659Ar      Ar  659   3.037   0.677   1.182 -0.0584 -0.0201 -0.2194
+  660Ar      Ar  660   1.423   2.198   1.118  0.0848  0.2867 -0.0636
+  661Ar      Ar  661   2.203   0.151   3.185  0.0441  0.2516 -0.1221
+  662Ar      Ar  662   1.888   2.394   1.332  0.2863  0.0082 -0.1500
+  663Ar      Ar  663   2.579   0.104   2.633  0.0670 -0.0539  0.0885
+  664Ar      Ar  664   2.493   1.792   3.090 -0.2665  0.0171  0.0467
+  665Ar      Ar  665   3.508   2.044   0.864  0.0669 -0.0190 -0.0438
+  666Ar      Ar  666   0.917   2.140   1.543  0.2573  0.1606  0.1386
+  667Ar      Ar  667   2.442   3.433   0.045  0.1639  0.0095 -0.0220
+  668Ar      Ar  668   0.012   0.722   1.454 -0.1877 -0.1736 -0.0296
+  669Ar      Ar  669   1.443   0.577   0.767 -0.0470  0.0826 -0.0270
+  670Ar      Ar  670   0.812   1.479   1.928  0.2031  0.0795 -0.0951
+  671Ar      Ar  671   0.872   2.664   3.102 -0.1044 -0.0170 -0.0768
+  672Ar      Ar  672   3.597   0.481   3.022  0.0686 -0.0144  0.0509
+  673Ar      Ar  673   1.443   0.429   1.439  0.0479 -0.2103  0.1107
+  674Ar      Ar  674   2.927   2.641   0.263  0.1717  0.0014  0.0729
+  675Ar      Ar  675   1.645   1.416   2.272 -0.0892  0.1488  0.0410
+  676Ar      Ar  676   3.461   1.296   0.344  0.0322 -0.0499 -0.0176
+  677Ar      Ar  677   1.372   1.102   1.692  0.1599  0.0004  0.1529
+  678Ar      Ar  678   0.825   0.872   3.133 -0.1431  0.1004  0.2073
+  679Ar      Ar  679   3.088   1.470   2.285 -0.0760 -0.0782 -0.1570
+  680Ar      Ar  680   2.387   1.273   2.460 -0.0343 -0.0914 -0.0810
+  681Ar      Ar  681   1.125   0.607   2.029 -0.2184 -0.0358 -0.0939
+  682Ar      Ar  682   0.985   1.052   3.487 -0.2875  0.2324  0.3403
+  683Ar      Ar  683   1.798   1.635   1.949 -0.0025 -0.0721  0.1680
+  684Ar      Ar  684   0.454   2.671   2.470 -0.0466  0.1402 -0.2673
+  685Ar      Ar  685   2.567   3.095   1.714  0.0738  0.0393  0.1257
+  686Ar      Ar  686   1.528   0.706   2.753 -0.0127  0.2323  0.0418
+  687Ar      Ar  687   2.145   1.710   2.051 -0.0522  0.0267 -0.0340
+  688Ar      Ar  688   0.359   1.809   1.184  0.1152  0.0233  0.1658
+  689Ar      Ar  689   2.280   0.171   0.611 -0.1221  0.0868  0.0610
+  690Ar      Ar  690   1.078   1.869   3.247  0.0240  0.2377 -0.1127
+  691Ar      Ar  691   0.603   2.423   0.549  0.2792  0.0534  0.0695
+  692Ar      Ar  692   1.694   0.509   0.217  0.1352 -0.2623  0.1616
+  693Ar      Ar  693   1.675   3.404   2.817  0.1623  0.0085  0.0299
+  694Ar      Ar  694   1.820   2.609   3.067 -0.1803  0.1291  0.0791
+  695Ar      Ar  695   2.005   2.124   3.110 -0.1009  0.0273  0.1805
+  696Ar      Ar  696   0.923   1.468   0.469  0.0832  0.0645 -0.0540
+  697Ar      Ar  697   3.488   0.669   1.916 -0.1345  0.0686 -0.0945
+  698Ar      Ar  698   0.211   1.653   2.582  0.0004 -0.4432  0.0847
+  699Ar      Ar  699   2.390   2.651   3.456 -0.0265  0.0211  0.0043
+  700Ar      Ar  700   2.014   1.987   0.509 -0.1825 -0.0281  0.0094
+  701Ar      Ar  701   0.669   1.829   0.911 -0.1312 -0.0636 -0.1507
+  702Ar      Ar  702   1.443   0.686   3.123  0.1244 -0.1007 -0.1764
+  703Ar      Ar  703   0.163   3.025   2.534 -0.0478 -0.1823 -0.0557
+  704Ar      Ar  704   2.887   0.922   1.393 -0.0491 -0.0172  0.1073
+  705Ar      Ar  705   0.138   0.544   1.081 -0.3099  0.0230  0.2378
+  706Ar      Ar  706   1.000   0.400   3.289 -0.0785  0.0903 -0.1274
+  707Ar      Ar  707   2.826   3.373   0.158  0.0527 -0.2582  0.2373
+  708Ar      Ar  708   3.030   0.571   2.521  0.1443  0.0477 -0.3136
+  709Ar      Ar  709   1.941   0.059   0.700  0.0947 -0.2041  0.0179
+  710Ar      Ar  710   2.700   2.877   2.776  0.1666 -0.0975 -0.0368
+  711Ar      Ar  711   1.973   0.407   2.839 -0.0854 -0.2271  0.0517
+  712Ar      Ar  712   0.043   1.964   2.451  0.0333 -0.0771 -0.0447
+  713Ar      Ar  713   0.835   3.494   1.925  0.0391 -0.0209 -0.1187
+  714Ar      Ar  714   3.484   0.001   0.037  0.0768  0.0301  0.0948
+  715Ar      Ar  715   0.507   0.473   2.973  0.1602 -0.2241 -0.0980
+  716Ar      Ar  716   1.320   0.083   2.183  0.0009 -0.0288 -0.0491
+  717Ar      Ar  717   1.766   2.833   2.642  0.1365  0.0381 -0.0312
+  718Ar      Ar  718   3.560   0.058   0.676  0.1450 -0.0299  0.0435
+  719Ar      Ar  719   2.910   2.029   1.763 -0.0247  0.1639  0.0327
+  720Ar      Ar  720   3.126   2.051   3.036  0.2536  0.0612 -0.1075
+  721Ar      Ar  721   0.876   2.763   1.698  0.0185 -0.1434  0.0885
+  722Ar      Ar  722   0.486   3.542   3.390  0.2124 -0.2424  0.0593
+  723Ar      Ar  723   1.518   3.169   0.130 -0.2206 -0.1783  0.0166
+  724Ar      Ar  724   2.922   1.322   3.203 -0.1138  0.0318 -0.0199
+  725Ar      Ar  725   2.326   1.453   0.644  0.1870 -0.1521 -0.0309
+  726Ar      Ar  726   3.308   0.265   1.590 -0.0806  0.2886  0.1267
+  727Ar      Ar  727   0.115   3.503   0.388  0.0155 -0.0222  0.0701
+  728Ar      Ar  728   0.385   1.033   3.122  0.1341 -0.0390  0.1013
+  729Ar      Ar  729   1.026   0.772   0.237  0.1558  0.0757 -0.1017
+  730Ar      Ar  730   1.016   1.290   1.175  0.2277 -0.0451 -0.0558
+  731Ar      Ar  731   2.700   1.540   2.485  0.0721 -0.0252 -0.1655
+  732Ar      Ar  732   1.209   1.234   0.142  0.0383 -0.1166 -0.0937
+  733Ar      Ar  733   0.054   2.384   3.361 -0.0144  0.0820  0.0803
+  734Ar      Ar  734   1.787   0.843   1.852 -0.1052 -0.0870 -0.1266
+  735Ar      Ar  735   2.228   1.660   0.340  0.1038  0.0508 -0.1754
+  736Ar      Ar  736   2.642   0.474   2.842 -0.0507 -0.1618 -0.0339
+  737Ar      Ar  737   2.336   0.769   0.527 -0.0833  0.0974  0.3106
+  738Ar      Ar  738   0.066   0.514   0.649  0.2649  0.0307  0.0826
+  739Ar      Ar  739   0.297   2.889   2.189 -0.0667  0.2711  0.0953
+  740Ar      Ar  740   2.666   0.949   3.569  0.0963 -0.1446  0.0308
+  741Ar      Ar  741   0.448   2.274   2.004 -0.0450  0.0805  0.0471
+  742Ar      Ar  742   2.172   1.423   2.965  0.2406 -0.0873  0.0577
+  743Ar      Ar  743   2.419   2.904   0.478 -0.0887 -0.1441 -0.1593
+  744Ar      Ar  744   1.150   1.110   0.487  0.0608  0.0299 -0.1486
+  745Ar      Ar  745   2.173   2.567   2.868  0.0379  0.1183  0.0148
+  746Ar      Ar  746   0.728   2.414   2.414  0.2106 -0.0879  0.1057
+  747Ar      Ar  747   1.410   0.675   0.424 -0.1917  0.0668 -0.0058
+  748Ar      Ar  748   1.937   3.538   3.333  0.1677 -0.0576 -0.1633
+  749Ar      Ar  749   2.371   3.423   1.768 -0.0397 -0.0430 -0.1024
+  750Ar      Ar  750   3.455   1.636   1.694  0.1925 -0.0623  0.0364
+  751Ar      Ar  751   2.845   1.384   1.046  0.1874 -0.1748 -0.0745
+  752Ar      Ar  752   2.665   0.528   1.462  0.1027 -0.0843 -0.2493
+  753Ar      Ar  753   2.392   2.309   1.079 -0.2415  0.0982 -0.2251
+  754Ar      Ar  754   0.934   1.303   2.203  0.0364  0.1571 -0.0882
+  755Ar      Ar  755   2.095   3.459   2.080 -0.0565  0.0076 -0.0487
+  756Ar      Ar  756   2.380   0.684   0.116  0.0536  0.0077 -0.0118
+  757Ar      Ar  757   1.612   1.955   1.780  0.0205  0.0723  0.0452
+  758Ar      Ar  758   1.396   1.999   3.277 -0.0848  0.0490  0.2282
+  759Ar      Ar  759   1.255   2.055   1.426 -0.0989  0.0984 -0.0388
+  760Ar      Ar  760   3.370   2.459   1.664 -0.0626 -0.0921 -0.0859
+  761Ar      Ar  761   2.322   2.219   0.749 -0.0865 -0.0201  0.0141
+  762Ar      Ar  762   2.591   0.872   2.423 -0.0701 -0.1054  0.1563
+  763Ar      Ar  763   3.061   3.080   0.885  0.3224 -0.0572 -0.0539
+  764Ar      Ar  764   0.447   3.033   1.279  0.2217  0.0170  0.1190
+  765Ar      Ar  765   1.999   1.753   1.202 -0.0119  0.1600  0.0883
+  766Ar      Ar  766   0.228   0.739   2.935 -0.1217  0.0091  0.0341
+  767Ar      Ar  767   1.239   0.570   1.663  0.1169 -0.1221 -0.1999
+  768Ar      Ar  768   0.451   1.895   3.007 -0.0261  0.0741  0.0269
+  769Ar      Ar  769   2.495   3.014   0.152 -0.2599  0.0369  0.0230
+  770Ar      Ar  770   2.897   2.723   3.050  0.0376 -0.0431 -0.1169
+  771Ar      Ar  771   2.794   1.684   2.111 -0.1414  0.0134 -0.0443
+  772Ar      Ar  772   0.202   1.972   1.798  0.1597  0.2737  0.0910
+  773Ar      Ar  773   2.605   0.113   0.281  0.1603 -0.0259 -0.0198
+  774Ar      Ar  774   3.048   3.214   3.355  0.0411 -0.0506 -0.0405
+  775Ar      Ar  775   0.443   1.708   3.336 -0.3019 -0.2298  0.0498
+  776Ar      Ar  776   0.321   2.006   2.650  0.2818  0.0177 -0.0736
+  777Ar      Ar  777   1.741   1.191   3.142 -0.0525  0.0569  0.1212
+  778Ar      Ar  778   3.441   1.128   2.809  0.0248 -0.0942 -0.0383
+  779Ar      Ar  779   3.258   1.278   3.251  0.0473 -0.1164 -0.2941
+  780Ar      Ar  780   1.713   2.432   0.652  0.0937 -0.0145  0.0333
+  781Ar      Ar  781   1.640   2.449   2.461 -0.0582  0.1409 -0.1209
+  782Ar      Ar  782   1.151   0.965   3.141  0.2643  0.2678  0.1476
+  783Ar      Ar  783   3.579   2.658   2.027 -0.2182  0.0284  0.0067
+  784Ar      Ar  784   2.929   1.968   0.356 -0.1160  0.3577 -0.1998
+  785Ar      Ar  785   1.903   1.085   3.427 -0.0686  0.0971 -0.2750
+  786Ar      Ar  786   1.239   0.596   3.526 -0.2328  0.0274 -0.0942
+  787Ar      Ar  787   1.732   3.271   3.188 -0.0423  0.0502 -0.2027
+  788Ar      Ar  788   0.674   3.035   2.202  0.2784 -0.0229  0.1633
+  789Ar      Ar  789   2.859   1.760   0.982 -0.0928 -0.1196 -0.0399
+  790Ar      Ar  790   0.600   0.229   3.557  0.0998  0.2016  0.0330
+  791Ar      Ar  791   2.697   2.150   2.779  0.0645 -0.0833  0.2347
+  792Ar      Ar  792   0.345   1.698   0.585  0.0797  0.0048 -0.0809
+  793Ar      Ar  793   3.323   0.028   1.040  0.3623  0.1316 -0.1222
+  794Ar      Ar  794   2.190   1.806   1.706 -0.2985 -0.1337  0.0681
+  795Ar      Ar  795   0.531   2.104   1.544  0.0777  0.1744 -0.0492
+  796Ar      Ar  796   0.777   0.174   1.337  0.2786 -0.1099  0.0906
+  797Ar      Ar  797   3.323   1.970   0.418  0.1687 -0.1381  0.0420
+  798Ar      Ar  798   0.927   2.513   1.416 -0.0535  0.0611  0.0928
+  799Ar      Ar  799   0.031   2.991   3.543  0.0071 -0.0465 -0.1290
+  800Ar      Ar  800   2.519   2.309   2.312 -0.1104  0.1676 -0.0531
+  801Ar      Ar  801   3.066   3.357   2.343  0.0668 -0.1394  0.2132
+  802Ar      Ar  802   1.697   3.195   2.449  0.0106  0.0155 -0.0956
+  803Ar      Ar  803   2.944   1.532   0.248  0.2030 -0.0591  0.0130
+  804Ar      Ar  804   1.989   0.876   1.119 -0.0686  0.0780 -0.1686
+  805Ar      Ar  805   2.701   2.388   1.709  0.0173  0.1231 -0.2141
+  806Ar      Ar  806   1.200   2.240   0.369 -0.2160  0.2088  0.0148
+  807Ar      Ar  807   1.718   2.954   2.992  0.0387 -0.0857  0.0429
+  808Ar      Ar  808   0.063   2.198   1.533  0.0975  0.0638  0.0183
+  809Ar      Ar  809   1.941   2.333   0.197 -0.0460  0.2126  0.1782
+  810Ar      Ar  810   2.831   1.673   3.226  0.1720 -0.1335 -0.2853
+  811Ar      Ar  811   2.537   1.710   1.599  0.0177  0.1837  0.0299
+  812Ar      Ar  812   0.047   3.465   1.161  0.0870 -0.2289 -0.0610
+  813Ar      Ar  813   2.119   1.097   1.799 -0.0791 -0.0617 -0.0202
+  814Ar      Ar  814   0.181   0.902   1.751  0.0289  0.0919 -0.1373
+  815Ar      Ar  815   0.866   0.936   1.156 -0.0595  0.0652  0.1168
+  816Ar      Ar  816   0.573   1.877   0.058 -0.0302 -0.0161 -0.0848
+  817Ar      Ar  817   3.109   1.539   3.012  0.1739 -0.1206  0.0569
+  818Ar      Ar  818   0.142   1.587   1.936 -0.0124 -0.1229 -0.1850
+  819Ar      Ar  819   2.082   3.534   0.065 -0.1228 -0.0165  0.0199
+  820Ar      Ar  820   1.565   0.923   0.652  0.1072  0.2171 -0.2033
+  821Ar      Ar  821   3.105   2.219   0.189 -0.0139 -0.1009 -0.0576
+  822Ar      Ar  822   1.016   0.440   1.386  0.1078 -0.1007  0.0299
+  823Ar      Ar  823   2.306   2.064   2.158 -0.1384 -0.2523 -0.1334
+  824Ar      Ar  824   1.490   3.338   0.589 -0.1444 -0.1560  0.1173
+  825Ar      Ar  825   1.888   1.592   2.501 -0.0256 -0.2288  0.1107
+  826Ar      Ar  826   0.308   0.869   2.564 -0.0568 -0.1425 -0.1116
+  827Ar      Ar  827   0.146   1.763   1.474  0.0186  0.3166  0.0213
+  828Ar      Ar  828   0.174   3.214   2.852  0.1521  0.0166 -0.1067
+  829Ar      Ar  829   3.281   2.275   0.921  0.0654  0.1389  0.1243
+  830Ar      Ar  830   1.865   0.105   2.593 -0.0323 -0.1527 -0.0221
+  831Ar      Ar  831   3.259   3.505   3.371  0.1781 -0.0405  0.0406
+  832Ar      Ar  832   0.461   0.075   2.401  0.0200  0.0899  0.1358
+  833Ar      Ar  833   0.945   3.214   1.762 -0.1516 -0.0557  0.0422
+  834Ar      Ar  834   2.059   2.823   2.040 -0.0092 -0.2008  0.1225
+  835Ar      Ar  835   1.980   0.282   0.430 -0.2693 -0.0301 -0.0579
+  836Ar      Ar  836   1.394   3.283   3.013  0.0606  0.0065  0.2711
+  837Ar      Ar  837   1.671   2.047   3.081  0.0043 -0.1239  0.0086
+  838Ar      Ar  838   2.201   0.565   2.391 -0.0663  0.1979 -0.1961
+  839Ar      Ar  839   3.105   0.734   1.992 -0.2483 -0.2912  0.1674
+  840Ar      Ar  840   0.531   1.119   3.453 -0.0818  0.2591 -0.0915
+  841Ar      Ar  841   0.827   3.241   0.756  0.0886  0.1346  0.2305
+  842Ar      Ar  842   1.475   2.383   1.843  0.0963  0.0668 -0.0522
+  843Ar      Ar  843   1.847   1.664   1.578 -0.1474 -0.0738 -0.0866
+  844Ar      Ar  844   2.996   0.670   1.664 -0.0957 -0.0881  0.1143
+  845Ar      Ar  845   2.074   1.923   2.377 -0.1388 -0.2024  0.0571
+  846Ar      Ar  846   2.455   1.649   2.255  0.0829  0.2076  0.0242
+  847Ar      Ar  847   0.258   2.057   2.164 -0.1990  0.1343  0.2369
+  848Ar      Ar  848   0.263   1.982   0.251  0.2910  0.2057  0.1263
+  849Ar      Ar  849   2.590   3.249   2.734 -0.1575 -0.1080  0.1619
+  850Ar      Ar  850   0.693   1.739   0.439 -0.0423  0.0135  0.0215
+  851Ar      Ar  851   1.155   2.679   0.765  0.0279  0.0073 -0.1689
+  852Ar      Ar  852   0.381   0.610   0.535 -0.0664  0.2055  0.2027
+  853Ar      Ar  853   3.154   1.432   1.670  0.1585  0.1378 -0.0138
+  854Ar      Ar  854   0.883   3.218   2.498 -0.0819 -0.2476 -0.0873
+  855Ar      Ar  855   0.101   0.302   3.593 -0.0020  0.0667  0.0483
+  856Ar      Ar  856   2.428   2.043   3.341 -0.0770  0.2752 -0.1638
+  857Ar      Ar  857   0.564   1.016   0.848 -0.1316 -0.2929  0.1077
+  858Ar      Ar  858   1.873   1.296   1.953  0.0458  0.1664  0.0174
+  859Ar      Ar  859   3.524   3.352   2.692 -0.1428 -0.0917  0.0888
+  860Ar      Ar  860   1.989   2.568   3.550  0.1570 -0.0653 -0.1422
+  861Ar      Ar  861   1.342   1.623   3.335 -0.0108 -0.0682  0.0662
+  862Ar      Ar  862   0.855   1.529   0.844 -0.0571  0.1151 -0.0785
+  863Ar      Ar  863   1.287   1.004   2.639  0.0348  0.0372 -0.0253
+  864Ar      Ar  864   1.441   1.788   2.621 -0.1741 -0.0396 -0.1272
+  865Ar      Ar  865   0.839   0.180   1.669 -0.1742  0.0605  0.0312
+  866Ar      Ar  866   3.238   2.559   1.342 -0.1047  0.0066 -0.0494
+  867Ar      Ar  867   2.827   0.325   0.664  0.0056  0.0488  0.2385
+  868Ar      Ar  868   1.806   2.320   1.717  0.0139 -0.1035 -0.0130
+  869Ar      Ar  869   3.348   0.594   0.544 -0.0835  0.1935  0.2645
+  870Ar      Ar  870   0.177   3.442   0.827  0.0238 -0.1628  0.1732
+  871Ar      Ar  871   3.340   3.369   1.417 -0.0278  0.2277  0.0927
+  872Ar      Ar  872   2.781   1.986   3.106  0.0405  0.1595  0.1204
+  873Ar      Ar  873   0.389   1.538   0.882  0.0376  0.0851 -0.1626
+  874Ar      Ar  874   2.464   1.102   0.666  0.1779 -0.2532  0.0276
+  875Ar      Ar  875   0.843   2.684   0.898  0.1000 -0.0310 -0.1166
+  876Ar      Ar  876   1.664   3.334   1.358 -0.0734 -0.1330 -0.0306
+  877Ar      Ar  877   1.086   3.460   2.363 -0.0890 -0.1151 -0.0279
+  878Ar      Ar  878   2.885   2.620   2.018  0.0427  0.0653  0.2501
+  879Ar      Ar  879   0.292   2.749   0.389  0.0575 -0.0638 -0.0515
+  880Ar      Ar  880   0.330   0.540   1.475  0.0908 -0.0636  0.1163
+  881Ar      Ar  881   2.507   0.362   1.930 -0.0976 -0.0232  0.1077
+  882Ar      Ar  882   2.442   1.363   0.228  0.0103 -0.1116  0.1329
+  883Ar      Ar  883   3.335   2.014   1.687 -0.1978 -0.0767 -0.0147
+  884Ar      Ar  884   2.025   0.149   2.263  0.0706  0.0331 -0.0696
+  885Ar      Ar  885   1.584   2.182   2.095 -0.1102 -0.0582  0.0355
+  886Ar      Ar  886   1.069   2.428   2.248 -0.2269 -0.2211  0.0461
+  887Ar      Ar  887   0.988   3.582   0.661  0.0222 -0.0030  0.1042
+  888Ar      Ar  888   1.408   2.097   2.395  0.1341 -0.0047  0.1524
+  889Ar      Ar  889   1.072   2.989   3.254 -0.1444 -0.1909 -0.1712
+  890Ar      Ar  890   0.460   1.831   2.343  0.1122  0.0794  0.0356
+  891Ar      Ar  891   1.814   0.077   2.999  0.0498 -0.0945  0.0906
+  892Ar      Ar  892   0.907   1.782   2.078 -0.0254  0.0228  0.2131
+  893Ar      Ar  893   1.608   0.420   2.947 -0.0740  0.1309 -0.0202
+  894Ar      Ar  894   2.250   1.617   1.399 -0.1514 -0.0309  0.1226
+  895Ar      Ar  895   2.206   0.212   1.946 -0.0468  0.0011  0.0708
+  896Ar      Ar  896   2.896   0.558   2.219 -0.1738 -0.2578 -0.0413
+  897Ar      Ar  897   1.831   2.320   2.774  0.0504 -0.0520 -0.1524
+  898Ar      Ar  898   0.243   3.279   2.226  0.3652 -0.1958 -0.0441
+  899Ar      Ar  899   2.372   2.406   0.450 -0.0636 -0.2489  0.0310
+  900Ar      Ar  900   1.987   3.426   2.485  0.2245  0.0258  0.1257
+  901Ar      Ar  901   2.339   2.960   2.815  0.0266 -0.1109  0.0191
+  902Ar      Ar  902   2.596   3.405   1.417 -0.1282  0.2529  0.0271
+  903Ar      Ar  903   2.282   1.026   3.559 -0.1618  0.0650  0.0407
+  904Ar      Ar  904   3.368   1.482   2.711  0.0394  0.0865  0.0851
+  905Ar      Ar  905   2.890   0.049   0.428 -0.0026 -0.1072 -0.1976
+  906Ar      Ar  906   0.024   0.220   2.465  0.1918  0.0037 -0.1600
+  907Ar      Ar  907   0.720   1.978   3.277 -0.0997  0.1647  0.2716
+  908Ar      Ar  908   2.319   0.011   2.438  0.0673  0.0095 -0.2011
+  909Ar      Ar  909   2.408   0.605   1.736 -0.2710 -0.1761  0.2534
+  910Ar      Ar  910   1.168   0.182   2.624  0.3105  0.0193 -0.0781
+  911Ar      Ar  911   0.834   1.573   3.340  0.2756 -0.0165  0.0993
+  912Ar      Ar  912   2.919   0.937   3.107 -0.0321  0.0495  0.2746
+  913Ar      Ar  913   1.792   1.305   0.775  0.0082  0.1625 -0.0015
+  914Ar      Ar  914   1.515   3.060   1.542 -0.0699  0.0811 -0.1750
+  915Ar      Ar  915   3.177   1.775   1.942 -0.0734  0.0930  0.0171
+  916Ar      Ar  916   3.019   0.121   1.664  0.1066  0.0971  0.0822
+  917Ar      Ar  917   0.077   0.019   2.150  0.2099  0.2032  0.1642
+  918Ar      Ar  918   0.767   1.165   1.395  0.0895  0.1506  0.0876
+  919Ar      Ar  919   2.243   3.354   2.712 -0.1004 -0.1129  0.1499
+  920Ar      Ar  920   2.559   3.339   2.381 -0.0349  0.0354 -0.1090
+  921Ar      Ar  921   1.775   1.906   2.755  0.3587  0.2035  0.0629
+  922Ar      Ar  922   2.129   1.220   0.872  0.1049  0.1150 -0.0933
+  923Ar      Ar  923   3.076   2.411   2.887  0.0252 -0.0336  0.1440
+  924Ar      Ar  924   2.406   0.926   1.085  0.2435 -0.0028 -0.0541
+  925Ar      Ar  925   1.288   0.559   2.499 -0.1094  0.1740 -0.1154
+  926Ar      Ar  926   3.080   2.153   2.620 -0.0878  0.0197 -0.0440
+  927Ar      Ar  927   1.132   1.587   2.779  0.0770  0.0714  0.0493
+  928Ar      Ar  928   1.169   3.251   0.867  0.1902 -0.2108 -0.0228
+  929Ar      Ar  929   2.924   0.568   3.064 -0.0441 -0.0432 -0.0343
+  930Ar      Ar  930   1.698   1.669   1.078 -0.0684 -0.0184  0.3767
+  931Ar      Ar  931   1.254   2.103   2.938  0.1866  0.1472  0.1750
+  932Ar      Ar  932   2.011   2.357   0.531  0.0918  0.1544 -0.0243
+  933Ar      Ar  933   1.513   0.310   2.582 -0.2276 -0.0627  0.0143
+  934Ar      Ar  934   3.535   0.256   1.324 -0.0992  0.0496 -0.1173
+  935Ar      Ar  935   0.225   3.407   2.543 -0.1332 -0.0788  0.1146
+  936Ar      Ar  936   2.227   2.560   2.182 -0.0773  0.1351  0.0045
+  937Ar      Ar  937   1.415   2.904   1.149 -0.2336 -0.0292  0.1856
+  938Ar      Ar  938   0.546   3.365   0.967  0.0819 -0.0900  0.2513
+  939Ar      Ar  939   1.062   3.356   2.772 -0.0442 -0.1050 -0.1269
+  940Ar      Ar  940   1.376   1.881   2.106  0.1651 -0.0585 -0.1793
+  941Ar      Ar  941   3.101   1.415   3.556 -0.0415  0.0639 -0.0785
+  942Ar      Ar  942   0.222   2.397   0.500  0.0099  0.1678  0.0016
+  943Ar      Ar  943   2.774   1.011   2.097 -0.1225 -0.2291  0.3009
+  944Ar      Ar  944   2.492   1.065   1.869  0.0742 -0.2001 -0.0601
+  945Ar      Ar  945   3.557   2.841   1.082 -0.0945 -0.0802  0.0415
+  946Ar      Ar  946   2.659   2.892   1.953  0.1850  0.0840 -0.1018
+  947Ar      Ar  947   3.535   1.843   2.081 -0.2481  0.0224  0.1288
+  948Ar      Ar  948   3.569   2.190   0.291 -0.1002 -0.1067 -0.0250
+  949Ar      Ar  949   2.497   3.339   0.370 -0.0871  0.1613  0.0124
+  950Ar      Ar  950   3.335   2.645   2.781  0.1550 -0.1033 -0.2126
+  951Ar      Ar  951   0.506   3.136   2.972 -0.1707 -0.1265  0.0206
+  952Ar      Ar  952   2.962   1.013   1.800  0.0171 -0.0151 -0.0738
+  953Ar      Ar  953   0.445   2.305   0.245  0.0269  0.0367 -0.1791
+  954Ar      Ar  954   2.093   2.450   2.528 -0.0808  0.1310 -0.1833
+  955Ar      Ar  955   2.885   3.183   2.910  0.0192  0.0379 -0.1354
+  956Ar      Ar  956   2.143   2.272   1.557 -0.0469 -0.1383 -0.2807
+  957Ar      Ar  957   0.704   0.869   0.099 -0.1193  0.0273  0.1713
+  958Ar      Ar  958   2.012   2.727   1.468 -0.0432  0.1873  0.0799
+  959Ar      Ar  959   2.786   0.067   3.560  0.1067 -0.0452  0.0246
+  960Ar      Ar  960   0.066   2.329   2.510 -0.0169  0.1120 -0.0443
+  961Ar      Ar  961   0.057   2.037   1.203 -0.2210 -0.0818  0.0338
+  962Ar      Ar  962   0.318   0.268   0.686 -0.0461 -0.0091  0.0276
+  963Ar      Ar  963   0.406   0.714   0.877  0.2708  0.0424 -0.1496
+  964Ar      Ar  964   3.042   0.869   2.334  0.0868  0.0420 -0.0434
+  965Ar      Ar  965   0.440   3.189   1.980 -0.1903  0.1621 -0.1403
+  966Ar      Ar  966   2.160   3.223   0.245 -0.1355  0.0418  0.0887
+  967Ar      Ar  967   2.743   2.692   3.432  0.1654  0.3231  0.2564
+  968Ar      Ar  968   2.650   0.499   2.490  0.2273 -0.1392 -0.0771
+  969Ar      Ar  969   0.855   0.210   2.848  0.2084  0.1355  0.0304
+  970Ar      Ar  970   3.077   1.644   2.599 -0.1384 -0.0522 -0.0165
+  971Ar      Ar  971   3.324   1.840   2.817 -0.0744  0.0274  0.2168
+  972Ar      Ar  972   2.743   3.406   1.744 -0.1646  0.0524  0.0800
+  973Ar      Ar  973   2.098   0.287   1.354  0.0942 -0.1433  0.0429
+  974Ar      Ar  974   1.921   2.004   1.933 -0.3214  0.2349 -0.1584
+  975Ar      Ar  975   3.228   0.392   1.908  0.0867 -0.0068 -0.1045
+  976Ar      Ar  976   0.809   2.325   1.853  0.0465 -0.1623  0.1427
+  977Ar      Ar  977   0.535   3.214   2.651 -0.0767  0.0672 -0.0398
+  978Ar      Ar  978   3.072   1.104   1.078  0.0432  0.0414 -0.0064
+  979Ar      Ar  979   2.570   0.740   3.071 -0.0362 -0.0583  0.0512
+  980Ar      Ar  980   0.295   3.183   1.605  0.0903 -0.0588 -0.0969
+  981Ar      Ar  981   0.600   3.190   0.112 -0.0803 -0.3942  0.1161
+  982Ar      Ar  982   2.077   0.554   0.280 -0.0671 -0.0836 -0.0964
+  983Ar      Ar  983   3.136   0.016   1.999  0.1374  0.2705  0.1887
+  984Ar      Ar  984   0.261   1.509   2.247 -0.0157  0.1470 -0.0259
+  985Ar      Ar  985   0.677   0.155   0.362 -0.0285  0.2076  0.2265
+  986Ar      Ar  986   2.849   0.383   1.837  0.1665  0.0514  0.1716
+  987Ar      Ar  987   3.330   3.561   0.383 -0.1613 -0.0490 -0.1444
+  988Ar      Ar  988   0.131   0.180   0.975  0.0276 -0.0438  0.2744
+  989Ar      Ar  989   2.141   2.420   3.289 -0.0360 -0.0723  0.0098
+  990Ar      Ar  990   2.608   0.001   0.604  0.0625 -0.1102 -0.0081
+  991Ar      Ar  991   0.431   2.705   3.053 -0.1358 -0.1841  0.0014
+  992Ar      Ar  992   2.401   2.656   0.888 -0.0522  0.1965 -0.0737
+  993Ar      Ar  993   0.487   0.285   1.927 -0.2174 -0.1236 -0.0086
+  994Ar      Ar  994   0.112   0.953   2.103  0.1536  0.1321 -0.2835
+  995Ar      Ar  995   3.322   0.969   3.393 -0.1755 -0.2638 -0.1121
+  996Ar      Ar  996   1.184   2.194   1.950 -0.2495 -0.1934  0.1135
+  997Ar      Ar  997   2.001   1.966   0.169 -0.1451 -0.0308  0.0329
+  998Ar      Ar  998   3.295   2.890   1.989  0.2049  0.0138 -0.1468
+  999Ar      Ar  999   0.230   0.926   1.062 -0.0757  0.1106 -0.0219
+ 1000Ar      Ar 1000   3.071   2.495   3.525 -0.2655  0.1601  0.1471
+   3.60140   3.60140   3.60140

diff --git a/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.mdp b/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.mdp
new file mode 100644 (file)
index 0000000..95845e5
--- /dev/null
+++ b/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.mdp
@@ -0,0 +1,11 @@
+nsteps                   = 500000
+dt                       = 0.002
+cutoff-scheme            = verlet
+tcoupl                   = v-rescale
+tc-grps                  = system
+ref-t                    = 87.0
+tau-t                    = 0.1
+pcoupl                   = C-rescale
+ref-p                    = 1.0
+compressibility          = 4.5e-5
+tau-p                    = 0.5

diff --git a/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.top b/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.top
new file mode 100644 (file)
index 0000000..c50802e
--- /dev/null
+++ b/tests/physicalvalidation/systems/ens_argon_md_verlet_pme_vr_cr/input/system.top
@@ -0,0 +1,31 @@
+; Argon force field and topology
+;
+; Lennard-Jones parameters for liquid argon taken from
+; White, J.A., Lennard-Jones as a model for argon and test of extended
+; renormalization group calculations. J. Chem. Phys. 111, 9352 (1999)
+;
+
+[ defaults ]
+; nbfunc comb-rule
+  1      3
+
+[ atomtypes ]
+; full atom descriptions are available in ffoplsaa.atp
+; name  bond_type    mass    charge   ptype     sigma      epsilon
+  Ar    Ar           39.948  0.0      A         0.3345     1.045128
+
+[ moleculetype ]
+Argon    1
+
+[ atoms ]
+;   nr   type  resnr residue  atom   cgnr     charge
+     1     Ar      1      Ar    Ar      1     0
+
+
+[ system ]
+; Name
+Argon
+
+[ molecules ]
+; Compound        #mols
+Argon             1000

diff --git a/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.gro b/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.gro
new file mode 100644 (file)
index 0000000..dc7d266
--- /dev/null
+++ b/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.gro
@@ -0,0 +1,2703 @@
+Pure Water
+ 2700
+    1SOL     OW    1   0.743   2.422   2.251 -0.1702  0.0546 -0.4651
+    1SOL    HW1    2   0.729   2.486   2.320 -0.7931 -1.2746  0.6459
+    1SOL    HW2    3   0.660   2.375   2.245  0.3543 -0.7902 -1.1351
+    2SOL     OW    4   0.944   1.432   1.518 -0.1151 -0.2173 -0.0013
+    2SOL    HW1    5   1.021   1.486   1.500 -0.4633 -0.2047 -1.4831
+    2SOL    HW2    6   0.876   1.468   1.460 -1.2969 -0.0451  1.5099
+    3SOL     OW    7   2.557   2.116   1.388 -0.4271 -0.4555  0.1402
+    3SOL    HW1    8   2.645   2.146   1.412 -0.5707 -1.1620  1.5548
+    3SOL    HW2    9   2.500   2.155   1.454 -1.1379 -0.2528 -0.5970
+    4SOL     OW   10   1.045   2.513   0.247  0.3999  0.6831 -0.5058
+    4SOL    HW1   11   1.018   2.423   0.229  2.4605  0.0747 -0.5077
+    4SOL    HW2   12   1.067   2.549   0.162  0.2786  0.9714 -0.4146
+    5SOL     OW   13   0.529   1.973   0.563  0.1724  0.2018 -0.6887
+    5SOL    HW1   14   0.559   1.882   0.555 -1.0851 -0.3145  0.4691
+    5SOL    HW2   15   0.587   2.010   0.630  1.8157  0.7353 -2.4076
+    6SOL     OW   16   0.605   1.617   1.625 -0.1547  0.5774 -0.0528
+    6SOL    HW1   17   0.531   1.647   1.678 -0.1878  1.6833 -0.7143
+    6SOL    HW2   18   0.660   1.695   1.615 -0.2766  0.4423 -1.8513
+    7SOL     OW   19   2.500   2.417   0.969 -0.3808  1.1237  0.8204
+    7SOL    HW1   20   2.408   2.405   0.990 -0.2199 -0.6807  0.4650
+    7SOL    HW2   21   2.544   2.424   1.054 -0.7596  1.3253  0.9974
+    8SOL     OW   22   2.969   1.283   2.411  0.0405 -0.0745  0.3622
+    8SOL    HW1   23   2.921   1.205   2.437 -0.7227 -0.5858 -2.5975
+    8SOL    HW2   24   3.060   1.254   2.403  0.3116  0.1548  2.8233
+    9SOL     OW   25   2.298   0.707   0.857  0.0293  0.1146  0.0823
+    9SOL    HW1   26   2.264   0.745   0.938  0.4903 -2.1302  1.3088
+    9SOL    HW2   27   2.373   0.654   0.884 -0.0346 -0.9202 -1.7681
+   10SOL     OW   28   2.909   2.737   1.093  0.7132 -0.4717  1.2365
+   10SOL    HW1   29   2.867   2.702   1.014 -2.1200 -0.8606  2.9072
+   10SOL    HW2   30   2.898   2.832   1.086 -0.0522 -0.5427  1.4341
+   11SOL     OW   31   2.857   1.705   0.620  0.5009  0.0652 -0.5792
+   11SOL    HW1   32   2.929   1.723   0.681 -0.8725  0.0686  1.0311
+   11SOL    HW2   33   2.834   1.790   0.584 -0.9708  0.5269  1.4415
+   12SOL     OW   34   2.824   1.077   2.516  0.2046 -0.1042 -0.0466
+   12SOL    HW1   35   2.813   1.043   2.605 -1.1200 -0.3778 -0.3127
+   12SOL    HW2   36   2.831   0.999   2.462 -0.9741  0.0566 -0.4303
+   13SOL     OW   37   0.557   2.058   2.385 -0.2029 -0.3370  0.2553
+   13SOL    HW1   38   0.593   1.970   2.399 -2.0267 -0.9375  1.1801
+   13SOL    HW2   39   0.481   2.062   2.443  0.4758  2.2140  0.9427
+   14SOL     OW   40   2.084   2.264   0.043 -0.2232  0.4748  0.0324
+   14SOL    HW1   41   2.127   2.350   0.042 -0.7555  0.7384  0.0319
+   14SOL    HW2   42   2.053   2.253  -0.047  0.6048 -0.0930 -0.1800
+   15SOL     OW   43   2.801   1.877   1.843  0.4426  0.0986 -0.4333
+   15SOL    HW1   44   2.860   1.815   1.799 -3.8853 -2.7741 -2.0938
+   15SOL    HW2   45   2.792   1.842   1.931  0.7427  0.2142 -0.3562
+   16SOL     OW   46   1.359   1.808   1.143 -0.0138  0.2507 -0.4776
+   16SOL    HW1   47   1.277   1.828   1.099 -0.6606 -0.3624  0.4406
+   16SOL    HW2   48   1.387   1.725   1.105  0.0395  0.3247 -0.5988
+   17SOL     OW   49   0.960   0.715   2.089 -0.7026 -0.4266  0.2923
+   17SOL    HW1   50   0.990   0.667   2.011 -0.5847 -2.8107  1.7980
+   17SOL    HW2   51   1.023   0.692   2.157 -1.2740  1.0199  1.3113
+   18SOL     OW   52   2.453   1.758   0.110 -0.3549 -0.0581  0.2951
+   18SOL    HW1   53   2.458   1.732   0.202  0.9244 -1.3316 -0.1384
+   18SOL    HW2   54   2.399   1.691   0.069  0.3071 -0.2962 -0.1851
+   19SOL     OW   55   2.729   1.440   2.447 -0.6483  0.4909  0.2144
+   19SOL    HW1   56   2.764   1.461   2.534 -0.4893 -0.1648  0.3089
+   19SOL    HW2   57   2.791   1.377   2.411 -1.2851 -0.0368  0.0468
+   20SOL     OW   58   2.305   1.174   0.898  0.0096 -0.0479 -0.2070
+   20SOL    HW1   59   2.299   1.264   0.866 -0.4201 -0.5462 -1.5519
+   20SOL    HW2   60   2.393   1.145   0.873  0.3211  0.1721  0.6577
+   21SOL     OW   61   0.687   0.108   2.776 -0.2447 -0.2707 -0.4695
+   21SOL    HW1   62   0.690   0.202   2.755  3.0564 -0.8739 -2.8379
+   21SOL    HW2   63   0.619   0.073   2.718  1.9426 -0.1884 -3.1103
+   22SOL     OW   64   1.831   0.938   2.190 -0.3532 -0.6591  0.0157
+   22SOL    HW1   65   1.735   0.933   2.189 -0.4962  1.8798 -0.2000
+   22SOL    HW2   66   1.851   0.979   2.274  0.4835  0.0673 -0.5377
+   23SOL     OW   67   2.078   0.556   2.364 -0.4333 -0.1994 -0.0002
+   23SOL    HW1   68   2.103   0.638   2.407 -0.2459  0.1200 -0.7196
+   23SOL    HW2   69   2.118   0.561   2.277 -0.8651 -0.8148 -0.2368
+   24SOL     OW   70   1.661   2.088   2.534 -0.1374  0.1423  0.3243
+   24SOL    HW1   71   1.589   2.033   2.563 -1.0202  0.8745 -0.4721
+   24SOL    HW2   72   1.694   2.129   2.614  0.8972 -2.0081  0.9831
+   25SOL     OW   73   2.323   2.225   1.267 -0.1923 -0.4397 -0.0057
+   25SOL    HW1   74   2.406   2.180   1.284  0.1357  0.7440  1.5923
+   25SOL    HW2   75   2.277   2.222   1.351 -0.1769  2.1434  0.0969
+   26SOL     OW   76   1.506   1.962   0.643 -0.2153  0.2955 -0.2004
+   26SOL    HW1   77   1.412   1.948   0.656  0.1265 -1.1410  0.6852
+   26SOL    HW2   78   1.520   2.052   0.672 -1.0778  0.0545  0.9881
+   27SOL     OW   79   1.966   2.343   1.889 -0.0507 -0.8648  0.8406
+   27SOL    HW1   80   2.046   2.366   1.937 -0.2184  0.8117  0.3153
+   27SOL    HW2   81   1.982   2.254   1.857  1.7773 -0.3425  0.3220
+   28SOL     OW   82   2.317   1.089   1.909  0.6126  0.1533 -0.0000
+   28SOL    HW1   83   2.305   1.112   1.817 -1.3374  0.1457  0.2628
+   28SOL    HW2   84   2.229   1.068   1.941  1.1075  1.3818  2.1977
+   29SOL     OW   85   0.537   2.686   0.628 -0.1181  0.5532 -0.5163
+   29SOL    HW1   86   0.573   2.724   0.548  2.4951 -0.7770  0.0291
+   29SOL    HW2   87   0.513   2.596   0.603  0.5051  0.2054  0.1464
+   30SOL     OW   88   1.006   0.913   1.804  0.1861  0.2905  0.1215
+   30SOL    HW1   89   1.082   0.952   1.847  0.0376  0.9906 -0.2541
+   30SOL    HW2   90   1.038   0.884   1.719  1.2121 -3.9033  1.9792
+   31SOL     OW   91   0.852   2.266   1.410  0.2381  0.4229 -0.2526
+   31SOL    HW1   92   0.857   2.361   1.424  0.4759  0.3678  0.0211
+   31SOL    HW2   93   0.788   2.236   1.475 -1.5447  0.7200 -1.8497
+   32SOL     OW   94   1.135   0.584   2.285  0.1861  0.4554 -0.3831
+   32SOL    HW1   95   1.063   0.535   2.325 -1.1325  1.3310 -1.6416
+   32SOL    HW2   96   1.182   0.623   2.358 -0.7478  0.0250  0.4434
+   33SOL     OW   97   1.395   0.948   1.279 -0.4022  0.3742 -0.3451
+   33SOL    HW1   98   1.314   0.975   1.237  0.4572  0.6736 -1.8060
+   33SOL    HW2   99   1.384   0.855   1.297 -0.9178  0.3281 -0.9117
+   34SOL     OW  100   1.877   2.558   0.154  0.3181 -0.1684 -0.1565
+   34SOL    HW1  101   1.796   2.602   0.179  0.1745 -0.5579  0.0620
+   34SOL    HW2  102   1.946   2.612   0.192  0.1561  0.1043 -0.2514
+   35SOL     OW  103   0.333   1.902   0.153  0.7925  0.4679 -0.0402
+   35SOL    HW1  104   0.283   1.896   0.071 -0.5333  3.2368  0.5407
+   35SOL    HW2  105   0.325   1.815   0.192 -1.1889  0.0487 -1.3545
+   36SOL     OW  106   2.718   2.724   1.959 -0.5335 -0.1666 -0.9838
+   36SOL    HW1  107   2.650   2.790   1.969 -0.5316  0.0484 -2.3513
+   36SOL    HW2  108   2.672   2.643   1.937 -0.4235 -0.2321 -0.9762
+   37SOL     OW  109   1.053   2.781   2.554  0.2209 -0.0393  0.1188
+   37SOL    HW1  110   0.966   2.741   2.550 -0.0283  0.5360 -0.3449
+   37SOL    HW2  111   1.045   2.849   2.621  0.0880  0.5511 -0.4970
+   38SOL     OW  112   0.310   1.630   0.216  0.0925 -0.0178  0.1209
+   38SOL    HW1  113   0.247   1.617   0.287 -0.0283 -0.1223 -0.0035
+   38SOL    HW2  114   0.394   1.602   0.252 -0.0276 -0.3850  0.1117
+   39SOL     OW  115   2.731   1.316   0.851 -0.0044 -0.1384  0.9197
+   39SOL    HW1  116   2.714   1.352   0.764  2.4894 -0.8450  0.1424
+   39SOL    HW2  117   2.700   1.225   0.846 -1.6750  0.4119  1.3594
+   40SOL     OW  118   1.274   1.943   1.824 -0.5294 -0.3913  0.1108
+   40SOL    HW1  119   1.306   1.863   1.866 -0.6124  1.2155  3.2565
+   40SOL    HW2  120   1.196   1.967   1.874 -2.3530 -0.1562 -2.8834
+   41SOL     OW  121   2.700   2.606   2.632 -0.7602  0.3423 -0.1571
+   41SOL    HW1  122   2.779   2.620   2.579 -0.8279  1.4759  0.0427
+   41SOL    HW2  123   2.636   2.573   2.569  0.5027 -2.6237  0.0918
+   42SOL     OW  124   2.725   1.337   0.215  0.0607  0.4986 -0.9628
+   42SOL    HW1  125   2.645   1.287   0.230  1.0559 -0.8357 -0.0950
+   42SOL    HW2  126   2.749   1.371   0.302 -0.6307  2.5235 -1.5444
+   43SOL     OW  127   0.669   0.190   1.525 -0.3572 -0.0638  0.0764
+   43SOL    HW1  128   0.576   0.198   1.506 -0.3155  0.7672  0.2441
+   43SOL    HW2  129   0.700   0.123   1.464 -0.7771  0.6717 -0.9379
+   44SOL     OW  130   1.374   2.655   0.785  0.2002 -0.2503  0.6371
+   44SOL    HW1  131   1.465   2.626   0.785  0.0774 -0.6247 -0.7351
+   44SOL    HW2  132   1.334   2.611   0.710 -1.0711  0.0345  1.1375
+   45SOL     OW  133   1.942   2.203   0.302  0.1821 -0.0595 -0.1502
+   45SOL    HW1  134   1.956   2.226   0.210  0.8950  1.0012  0.2096
+   45SOL    HW2  135   2.022   2.234   0.346 -0.0864 -0.7089  0.7945
+   46SOL     OW  136   2.511   1.671   0.777 -0.7862  0.0424  0.2265
+   46SOL    HW1  137   2.491   1.744   0.719  1.1487 -0.7328 -1.4159
+   46SOL    HW2  138   2.500   1.707   0.865  2.3408  2.9799 -0.5558
+   47SOL     OW  139   1.268   0.122   1.643 -0.3557  0.1095  0.0101
+   47SOL    HW1  140   1.240   0.084   1.726 -1.1172 -1.7042 -1.0856
+   47SOL    HW2  141   1.282   0.047   1.585 -1.4927  1.4689 -2.0360
+   48SOL     OW  142   2.665   0.535   2.874  0.1861  0.5734 -0.3122
+   48SOL    HW1  143   2.756   0.508   2.858  0.3303  0.5011  0.6458
+   48SOL    HW2  144   2.659   0.543   2.969 -0.7920  0.6561 -0.3859
+   49SOL     OW  145   0.130   1.438   0.637  0.0398 -0.0097  0.0058
+   49SOL    HW1  146   0.091   1.466   0.720 -1.1237  0.9785 -0.8643
+   49SOL    HW2  147   0.124   1.342   0.639 -0.9288  0.0608  0.6007
+   50SOL     OW  148   0.052   1.378   0.906 -0.7216  0.2342  0.4878
+   50SOL    HW1  149  -0.030   1.415   0.939 -1.0442 -1.2319  1.3370
+   50SOL    HW2  150   0.040   1.283   0.911  0.4005  0.0078 -0.9488
+   51SOL     OW  151   0.338   1.829   2.668 -0.1354 -0.7193  0.5150
+   51SOL    HW1  152   0.433   1.835   2.662 -0.0871 -0.1137  1.9236
+   51SOL    HW2  153   0.320   1.735   2.677  0.4057 -0.6854  1.8394
+   52SOL     OW  154   2.464   1.452   2.344 -0.0451 -0.0024 -0.4809
+   52SOL    HW1  155   2.486   1.405   2.263  0.9505  3.6371 -2.3253
+   52SOL    HW2  156   2.550   1.472   2.383 -0.5182 -1.4681  1.2883
+   53SOL     OW  157   2.023   2.166   2.289 -0.2020 -0.3459 -0.0801
+   53SOL    HW1  158   2.019   2.106   2.214 -0.5314  1.2804 -1.3757
+   53SOL    HW2  159   2.039   2.110   2.364  2.6114 -1.7687 -1.7218
+   54SOL     OW  160   1.521   0.348   1.933 -0.1896 -0.2359 -0.2637
+   54SOL    HW1  161   1.456   0.383   1.994 -0.0129  0.7329 -0.6469
+   54SOL    HW2  162   1.578   0.293   1.988  0.4303  1.2464  0.5862
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+   55SOL    HW1  164   0.437   0.418   2.180 -0.0404  0.1195 -0.0541
+   55SOL    HW2  165   0.556   0.474   2.254  0.1378 -0.5185  0.1455
+   56SOL     OW  166   2.357   0.559   1.729 -0.1182  0.0900 -0.6280
+   56SOL    HW1  167   2.393   0.561   1.640  0.0629  3.6635 -0.4518
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+   57SOL     OW  169   0.897   2.081   1.174  0.0657  0.0402  0.1612
+   57SOL    HW1  170   0.868   2.122   1.256 -1.3248  0.9448 -0.7881
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+   58SOL    HW1  173   1.229   2.752   2.727 -0.7826  0.9344  1.0396
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+   59SOL     OW  175   1.735   0.352   1.098  0.2888 -0.2507 -0.3288
+   59SOL    HW1  176   1.775   0.354   1.185 -0.3410 -0.4110 -0.0332
+   59SOL    HW2  177   1.643   0.331   1.115 -0.2195  1.5285 -0.8905
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+   60SOL    HW1  179   2.413   0.471   0.485  0.6212 -1.0433 -1.8370
+   60SOL    HW2  180   2.307   0.375   0.436 -1.2995  0.3896 -0.4780
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+   61SOL    HW1  182   2.342   1.874   2.706 -0.7091 -0.3233 -2.6306
+   61SOL    HW2  183   2.458   1.963   2.668 -0.2727  0.1498 -0.1355
+   62SOL     OW  184   2.309   1.929   1.089 -0.2201  0.1610  0.6244
+   62SOL    HW1  185   2.260   1.952   1.168  0.3722  1.4619  0.6217
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+   63SOL    HW1  188   0.778   1.185  -0.054  1.6676  0.9074  0.7163
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+   64SOL    HW1  191   0.628   1.597   0.885 -0.2704  1.1690  1.6256
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+   65SOL    HW1  194   1.089   1.641   2.356 -2.0171 -0.4996 -1.7408
+   65SOL    HW2  195   1.025   1.755   2.433  0.6722 -0.5513  0.6279
+   66SOL     OW  196   0.936   2.803   2.869 -0.2152 -0.3929 -0.0461
+   66SOL    HW1  197   1.018   2.755   2.858  0.0152  0.5335 -2.2936
+   66SOL    HW2  198   0.877   2.763   2.806 -0.3402  1.5880 -1.1684
+   67SOL     OW  199   2.277   3.011   1.656  0.3162 -0.2555  0.0150
+   67SOL    HW1  200   2.248   2.920   1.659 -2.0297  0.4983  0.1943
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+   68SOL    HW1  203   1.177   1.064   2.697  1.7489  1.4454 -0.1096
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+   69SOL     OW  205   0.211   2.876   2.311 -0.0078  0.3248  0.2110
+   69SOL    HW1  206   0.304   2.852   2.317  0.1248  0.6228 -0.6363
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+   70SOL    HW1  209   3.072   2.332   1.691 -0.1220 -0.0603  0.7072
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+   71SOL    HW1  212   1.631   1.085   0.659  0.2662  0.0650  0.5231
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+   72SOL    HW1  215   2.401   1.774   1.053  0.4083  0.3601 -2.1055
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+   73SOL    HW1  218   2.534   2.743   0.787 -1.5647 -0.3714 -0.3666
+   73SOL    HW2  219   2.637   2.698   0.889 -0.1110  1.2047 -1.1330
+   74SOL     OW  220   1.422   1.645   1.992  0.6996  0.2776 -0.1082
+   74SOL    HW1  221   1.427   1.739   2.009  0.5555  0.1421  0.6895
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+   75SOL    HW1  224   2.268   2.072   0.856 -1.6140 -1.6160  0.0328
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+   78SOL    HW1  233   0.336   1.281   1.418 -1.2620  0.7093  0.1530
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+   79SOL     OW  235   0.606   1.747   1.951  0.3374  0.9035  0.1198
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+   80SOL    HW1  239   0.181   0.398   2.623 -1.3922  0.8234 -0.9703
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+   81SOL    HW1  242   0.622   1.174   2.401  2.1979  1.7129 -1.7771
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+   83SOL    HW1  248   2.694   1.030   1.507 -1.3365  0.8126  0.5882
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+   86SOL    HW1  257   0.102   2.269   0.236  0.4783  1.5635  1.5789
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+   93SOL    HW1  278   1.927   0.529   1.801  0.2958  0.9375 -0.3458
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+  118SOL    HW1  353   1.642   2.647   0.619  0.6883 -1.6426 -0.0365
+  118SOL    HW2  354   1.700   2.556   0.725  0.4896  1.7074  2.9135
+  119SOL     OW  355   0.897   2.437   2.890 -0.5635 -0.0374  0.4567
+  119SOL    HW1  356   0.902   2.396   2.803  0.2651 -0.2996  0.6335
+  119SOL    HW2  357   0.975   2.406   2.936 -0.2443  1.2681  0.7926
+  120SOL     OW  358   0.038   1.689   0.341 -0.7395 -0.0492  0.0537
+  120SOL    HW1  359   0.007   1.748   0.271 -1.4359  0.1918  0.5565
+  120SOL    HW2  360   0.037   1.744   0.419  1.0652 -0.0307  0.0442
+  121SOL     OW  361   1.992   1.015   2.667 -0.0118 -0.0461  0.6674
+  121SOL    HW1  362   2.031   1.099   2.645 -2.6485  0.8789 -0.4431
+  121SOL    HW2  363   1.942   1.031   2.747 -2.5335  0.0080 -0.9205
+  122SOL     OW  364   2.546   1.167   0.471  0.3016 -0.4348  0.4222
+  122SOL    HW1  365   2.470   1.110   0.478 -0.8429  1.1575  0.9649
+  122SOL    HW2  366   2.599   1.129   0.401 -0.9842 -1.5290  0.0559
+  123SOL     OW  367   0.990   0.291   1.087 -0.3744  0.0741 -0.0075
+  123SOL    HW1  368   0.951   0.377   1.103  1.4087  0.9005 -0.0972
+  123SOL    HW2  369   0.993   0.283   0.992 -1.4303 -0.4899  0.0087
+  124SOL     OW  370   0.580   0.106   2.136 -0.1442  0.4827  0.6347
+  124SOL    HW1  371   0.574   0.137   2.046 -1.1400  0.8060  0.8112
+  124SOL    HW2  372   0.589   0.011   2.128 -0.2607  0.5088  0.1970
+  125SOL     OW  373   0.111   2.593   0.544 -0.0038  0.5225 -0.7659
+  125SOL    HW1  374   0.115   2.498   0.535  2.5253  0.5543  0.1321
+  125SOL    HW2  375   0.151   2.611   0.629 -0.5810  2.3920 -0.8817
+  126SOL     OW  376   2.712   0.627   0.537 -0.6589  0.3567 -0.5993
+  126SOL    HW1  377   2.791   0.576   0.554 -0.4346  0.2773 -1.8733
+  126SOL    HW2  378   2.646   0.562   0.515 -1.2539  0.3759  1.1160
+  127SOL     OW  379   1.140   0.538   0.052 -0.1692 -0.7029  0.1229
+  127SOL    HW1  380   1.228   0.501   0.053  0.8687  1.7046 -0.5854
+  127SOL    HW2  381   1.106   0.523   0.141  1.0717 -1.3342  0.4839
+  128SOL     OW  382   0.893   0.448   1.423  0.0402  0.2694  0.6619
+  128SOL    HW1  383   0.825   0.480   1.482 -0.4877  1.3217 -0.5124
+  128SOL    HW2  384   0.944   0.386   1.476 -1.7554 -0.4380  1.5715
+  129SOL     OW  385   0.119   2.981   1.952  0.1568 -0.4223 -0.1875
+  129SOL    HW1  386   0.084   2.906   2.000 -2.1948 -0.1645 -1.5272
+  129SOL    HW2  387   0.117   3.052   2.016  0.3969 -0.9839  0.4441
+  130SOL     OW  388   1.112   0.396   2.625  0.4582 -0.7249  0.1096
+  130SOL    HW1  389   1.105   0.303   2.649 -0.0056 -1.3206 -2.3658
+  130SOL    HW2  390   1.206   0.408   2.607  0.2612 -1.1000 -1.1660
+  131SOL     OW  391   1.047   1.332   0.227  0.1956 -0.1577  0.0362
+  131SOL    HW1  392   1.044   1.424   0.251 -0.0682 -0.0308 -0.4864
+  131SOL    HW2  393   1.136   1.304   0.250  0.9829  0.7768 -1.8273
+  132SOL     OW  394   0.207   2.786   2.578  0.0301  0.4069  0.1369
+  132SOL    HW1  395   0.169   2.807   2.663  0.6336 -0.4170  0.6111
+  132SOL    HW2  396   0.221   2.691   2.580  0.7484  0.4933 -0.5855
+  133SOL     OW  397   1.250   0.961   0.190 -0.6050 -0.0202  0.0675
+  133SOL    HW1  398   1.304   0.968   0.269 -3.5534  4.0491  1.7167
+  133SOL    HW2  399   1.286   1.027   0.131 -0.9716 -0.3332 -0.5050
+  134SOL     OW  400   1.508   1.893   2.064  0.3560 -0.0004  0.4914
+  134SOL    HW1  401   1.543   1.981   2.048 -1.1355  0.2992 -1.1303
+  134SOL    HW2  402   1.539   1.871   2.152  2.4990  1.2868  0.0584
+  135SOL     OW  403   2.909   0.858   0.787 -0.0493 -0.0587 -0.2044
+  135SOL    HW1  404   2.936   0.766   0.789  0.0033 -0.0570 -0.7234
+  135SOL    HW2  405   2.901   0.878   0.694  1.5354  0.9363 -0.1133
+  136SOL     OW  406   0.528   1.586   1.123  0.1281 -0.3228  0.3599
+  136SOL    HW1  407   0.617   1.589   1.158 -0.6037  1.0294  2.1198
+  136SOL    HW2  408   0.504   1.678   1.111 -0.0341 -0.7738 -2.6280
+  137SOL     OW  409   2.767   2.140   0.669  0.0471  0.2409 -0.3352
+  137SOL    HW1  410   2.787   2.114   0.759 -1.2007 -1.0783 -0.4407
+  137SOL    HW2  411   2.752   2.058   0.623 -1.6812  1.0515 -1.1939
+  138SOL     OW  412   1.398   2.792   1.820 -0.1589 -0.2623  0.1209
+  138SOL    HW1  413   1.346   2.797   1.900 -1.4374  0.5923 -0.7563
+  138SOL    HW2  414   1.334   2.802   1.749  1.2457  1.1534 -0.9501
+  139SOL     OW  415   3.040   0.629   1.198 -0.1992 -0.5276 -0.3018
+  139SOL    HW1  416   3.002   0.713   1.172  1.4171  0.4914  0.5808
+  139SOL    HW2  417   2.972   0.564   1.178 -1.5363  1.0129 -0.7722
+  140SOL     OW  418   2.185   0.545   1.386  0.7282 -0.1842 -0.2281
+  140SOL    HW1  419   2.157   0.634   1.404  0.8685  0.0780 -1.2852
+  140SOL    HW2  420   2.279   0.552   1.369  0.5349 -0.3693 -1.3915
+  141SOL     OW  421   0.844   0.233   1.825 -0.1553 -0.2899 -0.1438
+  141SOL    HW1  422   0.775   0.177   1.861 -0.1982 -0.1514 -0.0071
+  141SOL    HW2  423   0.919   0.218   1.883 -0.3134  0.1535  0.1814
+  142SOL     OW  424   1.796   0.507   2.158  0.6559  0.0532 -0.3275
+  142SOL    HW1  425   1.877   0.486   2.111  2.0442  1.8335  1.2249
+  142SOL    HW2  426   1.745   0.427   2.156  1.8590 -0.6675 -2.5627
+  143SOL     OW  427   0.533   0.567   0.642 -0.3235  0.3353 -0.4885
+  143SOL    HW1  428   0.459   0.628   0.649 -0.2754  0.4302 -0.8094
+  143SOL    HW2  429   0.523   0.526   0.556  0.3374  0.7934 -0.7877
+  144SOL     OW  430   1.631   2.387   0.373  0.3134  0.2305  0.1900
+  144SOL    HW1  431   1.573   2.380   0.449 -1.1791  0.3696 -0.9353
+  144SOL    HW2  432   1.683   2.466   0.390 -1.3730  1.3555  0.1430
+  145SOL     OW  433   2.818   2.999   0.746  1.1079  0.4905  0.1449
+  145SOL    HW1  434   2.805   2.917   0.699  1.2819  0.2255  0.5537
+  145SOL    HW2  435   2.910   3.020   0.734  1.1862  0.3480  0.4807
+  146SOL     OW  436   2.788   2.752   0.603  0.2123 -0.3679  0.0948
+  146SOL    HW1  437   2.831   2.793   0.528  0.5107 -0.6618  0.1022
+  146SOL    HW2  438   2.808   2.658   0.593 -0.4164 -0.5043  0.1027
+  147SOL     OW  439   1.063   0.554   0.892  0.4361 -0.1779 -0.0475
+  147SOL    HW1  440   1.075   0.649   0.889 -1.0151 -0.0965 -2.6184
+  147SOL    HW2  441   0.993   0.540   0.956 -2.5430  0.7424 -3.1154
+  148SOL     OW  442   1.826   2.387   1.228 -0.2764 -0.1215  0.1799
+  148SOL    HW1  443   1.794   2.359   1.142 -1.3392  1.1125  0.1745
+  148SOL    HW2  444   1.862   2.475   1.212 -2.1362  0.8558  1.3847
+  149SOL     OW  445   2.310   1.682   2.741  0.2591  0.7090  0.2774
+  149SOL    HW1  446   2.290   1.641   2.825 -0.1642 -0.1487 -0.2495
+  149SOL    HW2  447   2.336   1.610   2.684  0.2930  1.2612 -0.4105
+  150SOL     OW  448   2.763   0.430   2.521 -0.0545 -0.2016 -0.5807
+  150SOL    HW1  449   2.848   0.390   2.505 -0.6894 -1.4749 -0.7457
+  150SOL    HW2  450   2.727   0.382   2.595 -1.3676 -0.8090 -1.6086
+  151SOL     OW  451   2.349   1.391   2.665  0.3391 -0.1341  0.5540
+  151SOL    HW1  452   2.383   1.313   2.623  1.0794 -0.6552  2.0991
+  151SOL    HW2  453   2.255   1.376   2.675  0.1131  0.1386 -1.2188
+  152SOL     OW  454   1.686   2.006   2.272  0.3532  0.0438  0.4239
+  152SOL    HW1  455   1.660   2.018   2.364 -1.9097 -0.9919 -0.0679
+  152SOL    HW2  456   1.677   2.092   2.233 -2.9559 -0.4359  0.1163
+  153SOL     OW  457   2.659   2.407   1.454  0.1204 -0.2252 -0.0322
+  153SOL    HW1  458   2.705   2.479   1.498  1.1311 -0.8716 -0.0278
+  153SOL    HW2  459   2.715   2.331   1.469  0.3966 -0.4526 -2.3576
+  154SOL     OW  460   0.203   1.852   1.840  0.4463  0.3894  0.5424
+  154SOL    HW1  461   0.134   1.789   1.860  1.7007 -1.1114  0.0782
+  154SOL    HW2  462   0.232   1.885   1.925 -0.4127  0.5684  0.7658
+  155SOL     OW  463   0.984   2.258   0.155  0.3933  0.5082 -0.2997
+  155SOL    HW1  464   0.896   2.232   0.129 -0.0749  1.5565  0.1985
+  155SOL    HW2  465   1.031   2.176   0.168 -1.0021 -0.0877  1.0661
+  156SOL     OW  466   1.183   1.050   1.124 -0.0675 -0.7137  0.2267
+  156SOL    HW1  467   1.118   1.117   1.101 -0.5598 -0.7833  1.4301
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+  157SOL     OW  469   0.362   0.144   0.634 -0.4237  0.5799  0.3215
+  157SOL    HW1  470   0.429   0.151   0.566 -0.3515  1.8804  0.5139
+  157SOL    HW2  471   0.388   0.069   0.686 -1.3084 -1.3132 -1.9965
+  158SOL     OW  472   1.423   2.242   2.342 -0.0063 -0.2911  0.3158
+  158SOL    HW1  473   1.364   2.234   2.267 -1.0011  1.0236  0.9671
+  158SOL    HW2  474   1.508   2.265   2.304 -0.0365 -1.6001 -0.5668
+  159SOL     OW  475   0.760   0.834   0.652 -0.2248  0.0369  0.0101
+  159SOL    HW1  476   0.710   0.752   0.653 -1.6402  0.8908 -1.4844
+  159SOL    HW2  477   0.696   0.901   0.673  0.8373  0.8286  0.6917
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+  160SOL    HW1  479   0.613   0.502   2.704  0.3447  0.6124 -0.5466
+  160SOL    HW2  480   0.612   0.653   2.713 -0.0859  0.6304 -0.8878
+  161SOL     OW  481   1.680   0.408   0.279 -0.0705  0.7993 -0.5055
+  161SOL    HW1  482   1.647   0.325   0.315 -0.4825  1.3409  0.3625
+  161SOL    HW2  483   1.712   0.456   0.356  2.7739  0.2520 -1.3344
+  162SOL     OW  484   0.859   0.539   1.105 -0.0523 -0.1396 -0.0519
+  162SOL    HW1  485   0.777   0.567   1.063 -0.1599  0.3388  0.4790
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+  163SOL     OW  487   1.718   2.759   2.347 -0.0642 -0.2631 -0.4285
+  163SOL    HW1  488   1.791   2.699   2.330 -1.1479 -1.4053 -1.1498
+  163SOL    HW2  489   1.665   2.754   2.267 -0.3028  1.4508 -0.3742
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+  164SOL    HW1  491   1.586   0.664   2.437  0.2500 -0.0643 -1.1143
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+  165SOL     OW  493   1.694   2.204   2.789  0.0914 -0.7320  0.7167
+  165SOL    HW1  494   1.599   2.213   2.797  0.2049  1.8129 -1.0293
+  165SOL    HW2  495   1.730   2.262   2.856  0.5000  1.3194 -1.2810
+  166SOL     OW  496   0.546   0.930   0.446 -0.3092 -0.2640  0.4392
+  166SOL    HW1  497   0.502   1.010   0.417 -1.4820 -0.6826  1.0485
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+  189SOL    HW2  567   2.251   2.963   0.742 -2.9412  2.1557  0.9364
+  190SOL     OW  568   2.667   0.461   1.735 -0.0030 -0.0612  0.2967
+  190SOL    HW1  569   2.700   0.381   1.774 -0.3241 -0.4234 -0.1675
+  190SOL    HW2  570   2.594   0.433   1.680  0.5314  0.4200 -0.6718
+  191SOL     OW  571   1.420   1.344   0.947  0.2214  0.3146 -0.3937
+  191SOL    HW1  572   1.447   1.432   0.976 -0.9121  0.3218  0.6731
+  191SOL    HW2  573   1.497   1.289   0.963 -0.1109  0.4986  1.8223
+  192SOL     OW  574   2.046   2.731   2.078  0.3406 -0.4130 -0.3393
+  192SOL    HW1  575   2.100   2.804   2.109 -0.0869  0.0869 -0.7551
+  192SOL    HW2  576   2.071   2.720   1.987  0.4524 -0.8340 -0.2575
+  193SOL     OW  577   0.344   1.449   0.876  0.0862  0.4580  0.2981
+  193SOL    HW1  578   0.339   1.492   0.961  1.2427 -1.8743  1.5499
+  193SOL    HW2  579   0.261   1.400   0.869  0.9857 -1.1629  1.0525
+  194SOL     OW  580   2.221   0.142   1.331 -0.4676  0.2617  0.8104
+  194SOL    HW1  581   2.294   0.204   1.330  0.1825 -0.5181 -1.5034
+  194SOL    HW2  582   2.223   0.103   1.244 -2.9707 -0.5634  1.1421
+  195SOL     OW  583   1.517   0.378   1.417  0.2909  0.2992 -0.2059
+  195SOL    HW1  584   1.569   0.298   1.423 -1.6143 -0.9831 -0.9569
+  195SOL    HW2  585   1.490   0.397   1.507  0.3812 -0.1332 -0.0899
+  196SOL     OW  586   1.721   2.726   2.053 -0.4058  0.0528 -0.1471
+  196SOL    HW1  587   1.698   2.813   2.023  1.1184  0.9228  1.1661
+  196SOL    HW2  588   1.812   2.714   2.025 -0.1228 -0.5170  1.0095
+  197SOL     OW  589   0.234   1.346   2.672  0.6447  0.4013  0.4027
+  197SOL    HW1  590   0.259   1.257   2.696 -0.5747  0.0553  0.4143
+  197SOL    HW2  591   0.161   1.367   2.730  1.1273  1.5207  0.6048
+  198SOL     OW  592   2.475   2.814   0.630 -0.0696 -0.6229 -0.2523
+  198SOL    HW1  593   2.387   2.798   0.595 -1.1416  0.1128  2.1548
+  198SOL    HW2  594   2.509   2.885   0.575 -2.3092  1.5194  1.1488
+  199SOL     OW  595   2.989   0.044   1.688  0.0433  0.7028  0.4515
+  199SOL    HW1  596   2.974  -0.025   1.752 -0.8058  1.1131  0.6835
+  199SOL    HW2  597   3.001  -0.002   1.605 -1.0634  0.3220  0.5157
+  200SOL     OW  598   2.977   2.037   1.321  0.2674 -0.2315  0.4294
+  200SOL    HW1  599   3.065   2.000   1.310  0.4840  0.7367 -1.0422
+  200SOL    HW2  600   2.919   1.960   1.323  1.0272 -0.8097  0.2433
+  201SOL     OW  601   0.145   0.335   0.711  0.1710  0.2406  0.7096
+  201SOL    HW1  602   0.200   0.329   0.633  2.3731 -1.2771  2.3706
+  201SOL    HW2  603   0.100   0.250   0.716  0.2594  0.2276  1.2674
+  202SOL     OW  604   0.921   0.233   0.097 -0.3673 -0.0408 -0.5261
+  202SOL    HW1  605   0.867   0.154   0.101 -0.2547 -0.2402 -2.6968
+  202SOL    HW2  606   0.861   0.303   0.122 -1.1848 -0.4913 -1.1739
+  203SOL     OW  607   2.081   1.828   0.598  0.0963  0.0049 -0.0595
+  203SOL    HW1  608   2.154   1.813   0.658 -0.3268  0.0052  0.4492
+  203SOL    HW2  609   2.123   1.842   0.513  0.8913  3.5943  0.8861
+  204SOL     OW  610   1.350   1.977   2.392  0.1912  0.0864  0.2713
+  204SOL    HW1  611   1.419   1.916   2.366  0.3616  0.7402 -0.8057
+  204SOL    HW2  612   1.380   2.062   2.361 -1.4361  0.2668 -0.8245
+  205SOL     OW  613   2.849   0.489   0.214 -0.2002 -0.0333 -0.6235
+  205SOL    HW1  614   2.758   0.476   0.187  0.4759 -0.8493 -2.4814
+  205SOL    HW2  615   2.870   0.578   0.188  0.1511 -0.5001 -1.9390
+  206SOL     OW  616   1.934   2.661   0.953 -0.3349 -0.0602 -0.4933
+  206SOL    HW1  617   1.960   2.684   1.042  0.8539  3.9994 -1.8457
+  206SOL    HW2  618   1.841   2.682   0.949 -0.8714 -2.3473  0.4955
+  207SOL     OW  619   1.058   0.260   1.972 -0.0080 -0.6209 -0.1605
+  207SOL    HW1  620   1.115   0.336   1.974 -0.9688  0.0870  0.3366
+  207SOL    HW2  621   1.112   0.188   2.004  0.9148 -0.1543 -0.6987
+  208SOL     OW  622   0.514   2.743   2.773 -0.1954  0.3747  0.0890
+  208SOL    HW1  623   0.598   2.697   2.782 -1.2091 -1.7042 -0.9026
+  208SOL    HW2  624   0.489   2.730   2.681 -1.7321  0.7492  0.4491
+  209SOL     OW  625   1.254   2.524   0.557 -0.4640  0.0018 -0.4717
+  209SOL    HW1  626   1.251   2.579   0.478 -1.0727 -1.2561 -1.3168
+  209SOL    HW2  627   1.320   2.457   0.537  1.1074  1.0888  0.9980
+  210SOL     OW  628   0.629   0.358   0.813  0.2794  0.0349 -0.3588
+  210SOL    HW1  629   0.601   0.392   0.728  1.9360  0.6137 -0.6843
+  210SOL    HW2  630   0.657   0.436   0.862  0.5383 -0.4400  0.2476
+  211SOL     OW  631   0.430   1.117   2.007  0.0609  0.6542 -0.2732
+  211SOL    HW1  632   0.438   1.087   1.916 -0.9158  1.0376 -0.4790
+  211SOL    HW2  633   0.401   1.039   2.055  0.2719  0.5360 -0.3329
+  212SOL     OW  634   2.238   2.875   0.408 -0.6204 -0.0844 -0.5052
+  212SOL    HW1  635   2.215   2.916   0.491  0.9452 -1.2249  0.5135
+  212SOL    HW2  636   2.284   2.943   0.360 -1.2175  0.4762 -0.2847
+  213SOL     OW  637   0.818   2.737   0.702 -0.3600 -0.2115 -0.1398
+  213SOL    HW1  638   0.753   2.714   0.635  0.3583  2.4915 -1.7884
+  213SOL    HW2  639   0.902   2.737   0.655  0.3960 -0.2503  1.2041
+  214SOL     OW  640   1.275   0.692   2.536  0.1096 -0.2767 -0.1559
+  214SOL    HW1  641   1.184   0.695   2.564  0.5524 -0.0816  1.2820
+  214SOL    HW2  642   1.321   0.747   2.600  1.3377 -0.9737 -0.4533
+  215SOL     OW  643   1.099   1.176   0.558  0.8767  0.4108  0.6171
+  215SOL    HW1  644   1.103   1.261   0.601 -1.0129  0.2930  0.9941
+  215SOL    HW2  645   1.140   1.191   0.473  0.0747  1.8081  0.4824
+  216SOL     OW  646   2.613   0.326   2.307 -0.4081 -0.1954 -0.1694
+  216SOL    HW1  647   2.537   0.280   2.342 -0.1444  0.6063  1.4896
+  216SOL    HW2  648   2.669   0.340   2.384  1.7080 -1.3793 -1.4908
+  217SOL     OW  649   0.281   2.172   2.048  0.4624 -0.7910 -0.0037
+  217SOL    HW1  650   0.335   2.095   2.065  0.4890 -0.2495  2.4124
+  217SOL    HW2  651   0.309   2.235   2.113  0.1415  1.1222 -1.7314
+  218SOL     OW  652   1.594   1.562   1.692 -0.4111 -0.7988  0.0171
+  218SOL    HW1  653   1.571   1.506   1.766 -0.3546  1.9937  2.1596
+  218SOL    HW2  654   1.688   1.575   1.700 -0.5679  0.3247  0.0423
+  219SOL     OW  655   2.314   1.042   0.524 -0.2005 -0.3333  0.2829
+  219SOL    HW1  656   2.267   1.093   0.590 -1.1036 -3.0959  1.7508
+  219SOL    HW2  657   2.245   1.009   0.466  0.3924  0.0422 -0.6449
+  220SOL     OW  658   2.773   1.264   2.952 -0.3287  0.1892 -0.5949
+  220SOL    HW1  659   2.777   1.275   3.047  2.2453  0.3451 -0.7150
+  220SOL    HW2  660   2.692   1.306   2.926 -0.8022  0.5585  1.4876
+  221SOL     OW  661   0.868   1.801   0.202  0.1062 -0.6112  0.0639
+  221SOL    HW1  662   0.834   1.888   0.180 -0.7816 -0.1771  3.0741
+  221SOL    HW2  663   0.820   1.741   0.145  0.5863  0.8784 -1.8911
+  222SOL     OW  664   1.524   2.598   2.990  0.3509 -0.4513  0.1711
+  222SOL    HW1  665   1.549   2.646   3.070  1.4793 -0.5003 -0.1559
+  222SOL    HW2  666   1.598   2.611   2.931 -0.1811 -1.0266 -0.6082
+  223SOL     OW  667   1.317   2.978   2.619 -0.0661  0.1554 -0.4337
+  223SOL    HW1  668   1.389   3.031   2.655 -0.2170  1.4208 -2.0119
+  223SOL    HW2  669   1.361   2.909   2.569  0.0750  0.0418 -0.1568
+  224SOL     OW  670   1.224   0.379   0.628 -0.1745  0.1147  0.2588
+  224SOL    HW1  671   1.206   0.454   0.571  3.2404  1.1415  0.5366
+  224SOL    HW2  672   1.245   0.417   0.713  0.9125 -1.2075  0.5811
+  225SOL     OW  673   2.485   0.088   2.873  0.8000 -0.0147 -0.4070
+  225SOL    HW1  674   2.429   0.033   2.819  0.1063 -0.7197  1.0091
+  225SOL    HW2  675   2.425   0.125   2.939  2.0049 -0.9018  1.2026
+  226SOL     OW  676   0.747   0.389   2.700 -0.2594 -0.3955 -0.0533
+  226SOL    HW1  677   0.792   0.348   2.627  0.2454  0.6384 -0.3223
+  226SOL    HW2  678   0.815   0.438   2.746 -0.0042 -3.4823  2.8249
+  227SOL     OW  679   1.596   0.358   2.215 -0.1991  0.9917 -1.0166
+  227SOL    HW1  680   1.608   0.417   2.289 -0.6751  0.3770 -0.4414
+  227SOL    HW2  681   1.524   0.300   2.243  0.7380 -0.2947 -1.2893
+  228SOL     OW  682   0.097   1.181   1.872  0.7940 -0.6636 -0.0206
+  228SOL    HW1  683   0.082   1.240   1.946  0.2449 -0.2549 -0.4546
+  228SOL    HW2  684   0.015   1.132   1.863  0.4683  0.0543 -1.0361
+  229SOL     OW  685   2.658   0.683   2.482 -0.2002  0.0099  0.4744
+  229SOL    HW1  686   2.726   0.731   2.528 -0.3560  0.7870 -0.1102
+  229SOL    HW2  687   2.686   0.591   2.487  0.7072  0.2903  0.5246
+  230SOL     OW  688   1.179   1.561   1.482 -0.1506 -0.4423 -0.4925
+  230SOL    HW1  689   1.209   1.643   1.445  0.3599 -0.6557 -0.5541
+  230SOL    HW2  690   1.259   1.509   1.494 -0.0942  0.4753  2.9875
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+  231SOL    HW2  693   2.552   2.211   0.185 -0.0321 -0.9173 -0.1855
+  232SOL     OW  694   1.390   0.691   0.877  0.0928  0.5200 -0.2876
+  232SOL    HW1  695   1.408   0.754   0.946 -1.1286 -1.1086  1.5208
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+  233SOL    HW1  698   0.260   1.112   1.783 -0.3125  0.6860 -2.1215
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+  235SOL    HW1  704   1.039   1.496   0.560  0.1977 -0.3328 -1.2886
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+  239SOL    HW2  717   1.983   1.895   2.510  0.0670  1.7260  3.4264
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+  260SOL    HW2  780   1.697   1.082   1.234 -0.1666 -0.2678  1.4404
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+  261SOL    HW1  782   2.782   0.031   0.214 -1.5701 -2.3946  0.2762
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+  262SOL    HW1  785   0.552   2.644   0.949  0.2478  2.4972  1.8147
+  262SOL    HW2  786   0.421   2.626   0.876  0.9385  2.6479  0.5348
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+  263SOL    HW1  788   2.909   0.344   1.502 -0.0615 -0.5101  0.6219
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+  265SOL     OW  793   1.505   1.281   2.530  0.5972 -0.3140 -0.0026
+  265SOL    HW1  794   1.535   1.293   2.620  0.1941 -2.1178  0.3785
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+  266SOL    HW1  797   0.446   0.288   2.918 -1.2424 -1.6804 -0.1970
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+  267SOL    HW1  800   0.380   0.881   0.010  0.3228  0.6790  1.2879
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+  268SOL    HW1  803  -0.028   1.580   2.588  0.9056  0.6679  1.3813
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+  277SOL    HW1  830   0.713   2.053   1.610  0.6872  0.6924 -0.0031
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+  279SOL     OW  835   2.652   0.241   2.696 -0.4393 -0.0856  0.4473
+  279SOL    HW1  836   2.634   0.170   2.758 -1.7192 -0.1451  0.0027
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+  280SOL     OW  838   0.436   2.645   2.087  0.3073 -0.1359  0.5609
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+  330SOL    HW1  989   0.116   1.041   1.089 -0.4657 -2.3111 -0.0829
+  330SOL    HW2  990   0.188   1.087   1.214 -1.5167  0.2443 -0.4214
+  331SOL     OW  991   1.392   0.412   0.976 -0.4925 -0.6098 -0.3649
+  331SOL    HW1  992   1.390   0.501   0.943 -0.4094  0.0829  1.4880
+  331SOL    HW2  993   1.353   0.418   1.063  1.4569 -2.0263  0.6083
+  332SOL     OW  994   2.175   0.301   0.768  0.0079  0.0203  0.3200
+  332SOL    HW1  995   2.128   0.247   0.704  1.4404 -0.8892  0.0426
+  332SOL    HW2  996   2.117   0.302   0.844 -1.7615  1.2147 -1.0168
+  333SOL     OW  997   1.432   1.699   2.334  0.3606  0.6956  0.9819
+  333SOL    HW1  998   1.427   1.649   2.416 -1.5866  2.4376  1.9208
+  333SOL    HW2  999   1.384   1.646   2.270  1.2440 -0.3042  1.1495
+  334SOL     OW 1000   0.380   0.427   1.362 -0.1470  0.2543  0.3537
+  334SOL    HW1 1001   0.292   0.394   1.376 -0.7707  1.4006 -0.8578
+  334SOL    HW2 1002   0.381   0.511   1.407 -1.3540  2.7596 -4.2353
+  335SOL     OW 1003   0.166   0.962   0.421 -0.3803 -0.1801 -0.0047
+  335SOL    HW1 1004   0.185   1.047   0.461 -0.2323 -0.7153  1.0631
+  335SOL    HW2 1005   0.174   0.978   0.327 -0.6274  1.0581  0.1795
+  336SOL     OW 1006   2.300   2.219   1.812  0.5993  0.0106  0.1601
+  336SOL    HW1 1007   2.350   2.195   1.890 -1.0455  1.3706  1.6350
+  336SOL    HW2 1008   2.220   2.258   1.847 -0.8042 -0.7781 -2.2031
+  337SOL     OW 1009   0.984   1.593   0.360  0.2599 -0.4091  0.4161
+  337SOL    HW1 1010   0.960   1.657   0.293 -0.5182 -2.3510 -1.1610
+  337SOL    HW2 1011   0.909   1.592   0.420  0.9589  1.3306  1.3122
+  338SOL     OW 1012   1.293   1.130   0.813  0.0667  0.3593 -0.0479
+  338SOL    HW1 1013   1.306   1.171   0.728  0.0524 -0.2225 -0.3288
+  338SOL    HW2 1014   1.337   1.188   0.875  0.2746  0.6557 -0.4792
+  339SOL     OW 1015   2.229   0.666   2.135  0.2497  0.0993 -0.0858
+  339SOL    HW1 1016   2.303   0.670   2.196 -0.1246  0.7844  0.3287
+  339SOL    HW2 1017   2.261   0.706   2.055  0.4944 -0.0676 -0.0688
+  340SOL     OW 1018   1.417   2.169   2.970  0.0473 -0.4413  0.3086
+  340SOL    HW1 1019   1.417   2.263   2.990  1.4904 -0.2172 -0.7424
+  340SOL    HW2 1020   1.457   2.128   3.047 -0.1661 -0.1491  0.5724
+  341SOL     OW 1021   2.476   0.339   1.067  0.2358 -0.1207 -0.1464
+  341SOL    HW1 1022   2.536   0.288   1.121  1.1891  0.5785 -0.5140
+  341SOL    HW2 1023   2.485   0.429   1.100 -0.4944  0.0090 -0.3060
+  342SOL     OW 1024   1.713   2.311   0.085  0.3556 -0.4060 -0.0845
+  342SOL    HW1 1025   1.778   2.371   0.047  1.4006 -1.9357 -0.6788
+  342SOL    HW2 1026   1.687   2.355   0.167  1.1519  0.8584 -0.4978
+  343SOL     OW 1027   0.048   1.925   0.491  0.5238 -0.6147 -0.0580
+  343SOL    HW1 1028   0.134   1.959   0.468 -0.2070  1.3245  0.1303
+  343SOL    HW2 1029   0.054   1.907   0.585  0.3861  0.4367  0.1428
+  344SOL     OW 1030   1.146   1.717   0.055  0.0036  0.1320 -0.5622
+  344SOL    HW1 1031   1.065   1.732   0.104  0.6785  0.4364  0.4470
+  344SOL    HW2 1032   1.116   1.682  -0.029 -1.1243 -0.7883  0.2148
+  345SOL     OW 1033   1.592   2.771   1.000 -0.2826 -0.1609 -0.1934
+  345SOL    HW1 1034   1.624   2.842   0.945  1.5159 -1.2635 -0.5696
+  345SOL    HW2 1035   1.501   2.759   0.974  0.1029  0.4016 -1.7956
+  346SOL     OW 1036   2.258   0.831   1.131 -0.1717  0.0415 -0.5433
+  346SOL    HW1 1037   2.253   0.926   1.128  0.0848  0.0977  0.6890
+  346SOL    HW2 1038   2.237   0.809   1.222  2.1602 -0.9287 -0.2383
+  347SOL     OW 1039   1.209   1.198   1.452 -0.1077 -0.2192  0.2234
+  347SOL    HW1 1040   1.123   1.201   1.409 -0.2819  1.4700  0.6937
+  347SOL    HW2 1041   1.270   1.230   1.385  0.1070 -1.0402  0.0238
+  348SOL     OW 1042   0.167   0.184   1.798  1.1519 -0.1971  0.0033
+  348SOL    HW1 1043   0.134   0.262   1.842  1.6678 -0.4317  0.8015
+  348SOL    HW2 1044   0.089   0.132   1.779  0.9800 -0.3121  1.0433
+  349SOL     OW 1045   1.093   2.824   1.131 -0.2625  0.2778  0.0649
+  349SOL    HW1 1046   1.036   2.884   1.083 -0.4101 -0.8267 -1.1348
+  349SOL    HW2 1047   1.093   2.744   1.079  1.9230  0.0870  0.3800
+  350SOL     OW 1048   2.022   2.299   0.896 -0.0572  0.1555 -0.0752
+  350SOL    HW1 1049   1.955   2.306   0.828  1.2677 -1.5776 -1.5412
+  350SOL    HW2 1050   1.984   2.243   0.963 -0.8451  0.7989  0.0132
+  351SOL     OW 1051   1.266   2.508   2.399 -0.1945  0.2763  0.0133
+  351SOL    HW1 1052   1.207   2.464   2.338  1.1523  2.8325 -3.0895
+  351SOL    HW2 1053   1.251   2.464   2.483 -1.3722 -3.7555 -2.3576
+  352SOL     OW 1054   1.184   2.425   1.494  0.5049 -0.6168  0.3935
+  352SOL    HW1 1055   1.242   2.460   1.427  0.7127 -1.4515  0.1402
+  352SOL    HW2 1056   1.232   2.352   1.533 -0.3113 -1.2270  0.2746
+  353SOL     OW 1057   2.004   1.408   0.173 -0.3346 -0.8038  0.0398
+  353SOL    HW1 1058   2.060   1.469   0.222  0.2160 -1.2037 -0.0862
+  353SOL    HW2 1059   1.915   1.436   0.191 -0.1077 -0.6265  0.8508
+  354SOL     OW 1060   0.174   0.944   2.038  0.1050 -0.2192  0.1392
+  354SOL    HW1 1061   0.211   0.898   1.962 -0.9363 -0.8259 -0.0044
+  354SOL    HW2 1062   0.112   0.881   2.075 -0.8829  0.8526  0.2892
+  355SOL     OW 1063   0.849   1.542   0.586 -0.4205 -0.1251 -0.4373
+  355SOL    HW1 1064   0.803   1.463   0.559 -1.7573 -0.1009  1.7367
+  355SOL    HW2 1065   0.854   1.535   0.682 -0.0391  2.1355 -0.2954
+  356SOL     OW 1066   0.656   0.599   0.942 -0.8953 -0.3260  0.0396
+  356SOL    HW1 1067   0.583   0.562   0.991 -1.5283  0.5343 -0.2605
+  356SOL    HW2 1068   0.616   0.656   0.876  0.0894  1.5235  1.0137
+  357SOL     OW 1069   1.481   2.518   1.053 -0.4587  0.1926 -0.1161
+  357SOL    HW1 1070   1.544   2.449   1.034 -0.7697 -0.6447  1.8774
+  357SOL    HW2 1071   1.523   2.598   1.020 -0.3860 -1.0253 -2.9705
+  358SOL     OW 1072   0.463   2.882   2.996 -0.1729 -0.3083  0.2311
+  358SOL    HW1 1073   0.432   2.962   2.952  0.5227  0.1383  0.5598
+  358SOL    HW2 1074   0.496   2.827   2.926  0.3646  0.1522  0.1192
+  359SOL     OW 1075   2.647   1.942   0.216 -0.1664  0.1421 -0.2147
+  359SOL    HW1 1076   2.576   1.918   0.156 -0.2870  1.2419 -0.5036
+  359SOL    HW2 1077   2.689   2.017   0.175 -0.7654  1.3991  1.4792
+  360SOL     OW 1078   0.187   2.010   1.030  0.2101 -0.5687  0.0892
+  360SOL    HW1 1079   0.141   2.092   1.011  1.0328 -0.7116 -2.4649
+  360SOL    HW2 1080   0.211   1.975   0.944  3.7755 -1.2519  1.3689
+  361SOL     OW 1081   1.258   2.842   0.623  0.6131 -0.3717 -0.2307
+  361SOL    HW1 1082   1.301   2.826   0.707  0.2373  0.6486  0.1608
+  361SOL    HW2 1083   1.253   2.756   0.581 -2.8309 -1.4905  2.5240
+  362SOL     OW 1084   0.775   0.215   0.402  0.3169  0.4325  0.7317
+  362SOL    HW1 1085   0.769   0.302   0.362  1.1625  0.3281  0.3652
+  362SOL    HW2 1086   0.864   0.211   0.438  0.8091 -0.8581 -0.6192
+  363SOL     OW 1087   0.673   0.553   1.559  0.0502 -0.4445 -0.0251
+  363SOL    HW1 1088   0.701   0.571   1.648  1.3835 -0.9860 -0.3482
+  363SOL    HW2 1089   0.627   0.469   1.564 -2.7847  1.1369  0.7654
+  364SOL     OW 1090   1.223   1.327   2.942 -0.0519  0.6138 -0.7585
+  364SOL    HW1 1091   1.249   1.391   3.008  0.2096  2.5901 -2.7816
+  364SOL    HW2 1092   1.283   1.253   2.955  1.5125  1.9696 -0.3276
+  365SOL     OW 1093   0.374   1.931   2.156 -0.0906  0.0483 -1.0929
+  365SOL    HW1 1094   0.461   1.965   2.135 -1.4523  2.5321 -2.7829
+  365SOL    HW2 1095   0.388   1.873   2.231  3.0138  0.4885 -1.3401
+  366SOL     OW 1096   2.574   2.797   2.788  0.5077  0.2012  0.1944
+  366SOL    HW1 1097   2.584   2.853   2.711  0.0632  0.1449  0.0938
+  366SOL    HW2 1098   2.619   2.716   2.765  2.1218  0.9415  0.7757
+  367SOL     OW 1099   1.293   2.343   2.060  0.3679 -1.0226 -0.3824
+  367SOL    HW1 1100   1.373   2.388   2.034 -1.1890  1.4701 -0.9280
+  367SOL    HW2 1101   1.223   2.406   2.041 -1.6667 -2.9953  0.5232
+  368SOL     OW 1102   2.617   2.907   1.488 -0.1051 -0.1164 -0.5060
+  368SOL    HW1 1103   2.584   2.992   1.517  0.8883 -0.0846  0.5455
+  368SOL    HW2 1104   2.593   2.902   1.396 -1.0010  0.9023 -0.3274
+  369SOL     OW 1105   2.094   2.678   0.256  0.1203  0.1059 -0.3317
+  369SOL    HW1 1106   2.157   2.607   0.273 -1.5295 -0.9000  1.5146
+  369SOL    HW2 1107   2.124   2.750   0.311 -0.6612 -0.5500  0.9443
+  370SOL     OW 1108   1.663   0.613   0.908 -0.2399 -0.7528  0.0866
+  370SOL    HW1 1109   1.580   0.656   0.884 -0.0376  0.0541  0.8146
+  370SOL    HW2 1110   1.640   0.557   0.982 -0.1242 -0.4532  0.3529
+  371SOL     OW 1111   2.179   0.677   0.345  0.2124 -0.0920  0.3933
+  371SOL    HW1 1112   2.240   0.607   0.367 -1.4388 -1.5843  0.1927
+  371SOL    HW2 1113   2.125   0.689   0.423  0.7022  1.1734  0.5430
+  372SOL     OW 1114   0.858   2.968   1.959 -0.1161 -0.0246  0.1909
+  372SOL    HW1 1115   0.817   2.971   1.872  1.2058  0.5880 -0.4056
+  372SOL    HW2 1116   0.787   2.942   2.017 -1.1930  0.2904 -0.9708
+  373SOL     OW 1117   1.635   1.880   1.132 -0.1254  0.6032 -0.0620
+  373SOL    HW1 1118   1.551   1.835   1.141  0.9140 -0.9930  1.6748
+  373SOL    HW2 1119   1.692   1.817   1.088  0.4382  1.3289 -0.3698
+  374SOL     OW 1120   1.498   0.148   1.076  0.4252  0.3561  0.6183
+  374SOL    HW1 1121   1.456   0.234   1.073 -0.6414 -0.2960 -3.4966
+  374SOL    HW2 1122   1.430   0.089   1.109 -0.4627  0.1649 -1.5235
+  375SOL     OW 1123   1.978   1.680   2.453 -0.0810 -0.2377 -0.1717
+  375SOL    HW1 1124   2.065   1.643   2.436 -0.1867 -1.4403  1.8484
+  375SOL    HW2 1125   1.966   1.670   2.547 -1.6758  1.5586 -0.1938
+  376SOL     OW 1126   1.007   1.979   0.703 -0.1501  0.3105 -0.0085
+  376SOL    HW1 1127   0.950   1.954   0.775 -0.6221  1.7225  0.1110
+  376SOL    HW2 1128   0.962   1.948   0.625 -0.6328  0.5931  0.1544
+  377SOL     OW 1129   0.704   0.465   1.880 -0.1769  0.5094 -0.5596
+  377SOL    HW1 1130   0.772   0.532   1.877  1.4945 -1.2213 -1.5002
+  377SOL    HW2 1131   0.752   0.382   1.883 -2.2405 -0.8007 -3.3598
+  378SOL     OW 1132   1.862   2.481   2.901  0.0494  0.2645 -0.6110
+  378SOL    HW1 1133   1.888   2.497   2.991 -1.3719 -0.0329 -0.1577
+  378SOL    HW2 1134   1.899   2.555   2.852 -3.3790  2.9658  0.9386
+  379SOL     OW 1135   0.471   2.259   0.914 -1.0492 -0.3412 -0.1947
+  379SOL    HW1 1136   0.429   2.305   0.987  0.9184  0.4041  0.4800
+  379SOL    HW2 1137   0.497   2.329   0.854  2.1144 -0.5577  0.9204
+  380SOL     OW 1138   2.334   1.519   1.203  0.7791 -0.4395  0.0447
+  380SOL    HW1 1139   2.267   1.461   1.167  0.4294 -0.1348  0.2037
+  380SOL    HW2 1140   2.338   1.496   1.296 -0.5691  0.9843  0.4420
+  381SOL     OW 1141   0.453   0.461   1.092 -0.0321 -0.0274 -0.1520
+  381SOL    HW1 1142   0.372   0.506   1.067  0.0384  0.3658  0.3256
+  381SOL    HW2 1143   0.443   0.442   1.185  0.5439  0.2803 -0.0230
+  382SOL     OW 1144   2.153   0.951   0.320 -0.1472 -0.0310  0.8001
+  382SOL    HW1 1145   2.081   0.960   0.382 -1.2493 -0.7181 -0.3689
+  382SOL    HW2 1146   2.186   0.862   0.334 -0.6835 -0.3396  0.0842
+  383SOL     OW 1147   2.436   2.659   2.139  0.3556 -0.0500  0.3514
+  383SOL    HW1 1148   2.505   2.712   2.178 -0.5618  0.5984  1.1127
+  383SOL    HW2 1149   2.415   2.594   2.207  1.9819 -1.8375 -0.8582
+  384SOL     OW 1150   1.812   2.260   0.712  0.7492 -0.1245 -0.4781
+  384SOL    HW1 1151   1.863   2.326   0.665  0.2164 -1.0928 -2.4099
+  384SOL    HW2 1152   1.855   2.177   0.689 -1.7167 -0.9452 -2.1083
+  385SOL     OW 1153   2.599   1.329   1.827 -0.0709  0.1031 -0.0153
+  385SOL    HW1 1154   2.580   1.391   1.897 -0.7754 -0.0121 -0.1003
+  385SOL    HW2 1155   2.554   1.249   1.854  0.4040 -0.2135 -0.1596
+  386SOL     OW 1156   1.859   0.225   0.001  0.2133 -0.0830 -0.1887
+  386SOL    HW1 1157   1.910   0.146   0.018  2.6148  1.5912  0.3036
+  386SOL    HW2 1158   1.853   0.268   0.086 -2.7882 -0.7274 -0.0616
+  387SOL     OW 1159   1.133   0.587   1.907 -0.1014  0.5479 -0.1473
+  387SOL    HW1 1160   1.173   0.555   1.826 -1.2082  1.7230 -1.1603
+  387SOL    HW2 1161   1.194   0.654   1.939  0.9053 -0.7299  0.5847
+  388SOL     OW 1162   0.711   1.004   2.566  0.5876 -0.3511  0.1721
+  388SOL    HW1 1163   0.756   0.965   2.492 -0.1619  0.6369 -0.8032
+  388SOL    HW2 1164   0.641   0.942   2.588  0.3314 -0.2715 -0.4311
+  389SOL     OW 1165   0.546   1.351   2.759  0.4560  0.2433  0.2105
+  389SOL    HW1 1166   0.586   1.437   2.774  0.7862  0.3656 -1.3973
+  389SOL    HW2 1167   0.459   1.371   2.724 -0.6560 -0.0396  2.7561
+  390SOL     OW 1168   2.557   0.524   0.173  0.3078  0.4813  0.6310
+  390SOL    HW1 1169   2.551   0.438   0.215  0.4190  0.4228  0.5258
+  390SOL    HW2 1170   2.502   0.581   0.227  0.6885  0.4730  1.0254
+  391SOL     OW 1171   2.303   0.614   0.059  0.8663 -0.5620  0.1654
+  391SOL    HW1 1172   2.396   0.626   0.042  0.9145 -0.8213  0.2421
+  391SOL    HW2 1173   2.290   0.642   0.149  0.1747  3.0621 -1.0649
+  392SOL     OW 1174   0.908   0.565   2.854 -0.3854 -0.0686 -0.9319
+  392SOL    HW1 1175   0.990   0.519   2.837 -0.1461  0.2998 -0.7602
+  392SOL    HW2 1176   0.911   0.585   2.948 -1.6895 -2.0870 -0.4488
+  393SOL     OW 1177   2.290   2.643   1.719 -0.4230  0.1300 -0.2114
+  393SOL    HW1 1178   2.352   2.608   1.655  0.0266  0.5647 -0.0132
+  393SOL    HW2 1179   2.227   2.693   1.667 -1.1816 -1.1405 -0.5168
+  394SOL     OW 1180   0.445   0.479   1.734  0.2340  0.1849 -0.6191
+  394SOL    HW1 1181   0.513   0.533   1.776 -0.4574  0.1183  0.6022
+  394SOL    HW2 1182   0.410   0.535   1.665 -0.8239  1.5276  0.9703
+  395SOL     OW 1183   1.302   1.133   2.330  0.0409 -0.4872  0.2284
+  395SOL    HW1 1184   1.354   1.193   2.277 -0.0890 -1.6242 -1.1771
+  395SOL    HW2 1185   1.363   1.103   2.398  0.3681  0.5132  0.3773
+  396SOL     OW 1186   1.767   0.169   0.745  0.3246  0.3393 -0.3596
+  396SOL    HW1 1187   1.686   0.219   0.758  1.1869  1.4248  0.9351
+  396SOL    HW2 1188   1.777   0.118   0.825  0.5112 -0.3791 -0.8412
+  397SOL     OW 1189   1.601   0.872   0.135 -0.1984 -0.0068 -0.2820
+  397SOL    HW1 1190   1.544   0.921   0.194 -0.3108  0.0194 -0.4128
+  397SOL    HW2 1191   1.653   0.817   0.193  0.4025  0.7614 -0.0847
+  398SOL     OW 1192   2.192   0.318   1.769 -0.4485 -0.0891  0.7591
+  398SOL    HW1 1193   2.119   0.379   1.777  1.4986  2.4787 -0.8164
+  398SOL    HW2 1194   2.159   0.248   1.713 -1.0359  2.1550 -1.7347
+  399SOL     OW 1195   1.926   1.622   0.492  0.0263 -0.3557  0.7511
+  399SOL    HW1 1196   1.870   1.699   0.494  0.6342  0.1324 -1.3089
+  399SOL    HW2 1197   2.004   1.648   0.542 -0.4529 -0.1630  1.3978
+  400SOL     OW 1198   1.862   1.412   1.705  0.0620 -0.0589 -0.0065
+  400SOL    HW1 1199   1.909   1.477   1.757 -0.3326 -0.3863  0.7496
+  400SOL    HW2 1200   1.790   1.382   1.761 -1.3769  0.8439 -1.3757
+  401SOL     OW 1201   2.518   0.825   0.293  0.4785  0.2386 -0.5144
+  401SOL    HW1 1202   2.531   0.918   0.277 -0.2199  0.3756 -0.2996
+  401SOL    HW2 1203   2.541   0.812   0.385 -0.5519  0.4215 -0.2227
+  402SOL     OW 1204   0.923   2.565   1.527 -0.1136  0.4505  0.0693
+  402SOL    HW1 1205   0.994   2.500   1.524  0.3623  0.8997  1.4751
+  402SOL    HW2 1206   0.948   2.632   1.464 -0.5425 -0.6704 -1.2989
+  403SOL     OW 1207   0.635   1.992   1.222 -0.1310  0.2333 -0.2750
+  403SOL    HW1 1208   0.607   2.071   1.268 -1.9786  0.1939 -1.2898
+  403SOL    HW2 1209   0.724   2.011   1.193  0.5801  0.7073  2.2839
+  404SOL     OW 1210   2.023   0.770   1.688 -0.2739  0.0244 -0.4903
+  404SOL    HW1 1211   1.941   0.723   1.674 -1.5584  1.8349  0.9726
+  404SOL    HW2 1212   2.047   0.751   1.779  0.0965  0.7838 -0.4275
+  405SOL     OW 1213   2.197   2.381   2.039 -0.7235  0.1473  0.3527
+  405SOL    HW1 1214   2.231   2.316   2.101  0.2554  0.1495 -0.1805
+  405SOL    HW2 1215   2.236   2.464   2.068  0.5268 -0.0124 -0.8647
+  406SOL     OW 1216   0.631   2.136   0.753  0.1848  0.7260 -0.6176
+  406SOL    HW1 1217   0.552   2.165   0.798 -0.8444  0.7324 -2.4381
+  406SOL    HW2 1218   0.702   2.183   0.796 -0.7308  0.1528  1.5019
+  407SOL     OW 1219   2.506   1.833   1.423  0.2443 -0.1931  0.0748
+  407SOL    HW1 1220   2.420   1.844   1.464  1.5678  0.7445  2.6514
+  407SOL    HW2 1221   2.542   1.922   1.419  1.2140 -0.6203 -0.6666
+  408SOL     OW 1222   2.965   2.872   2.418  0.3180  0.1111  0.3228
+  408SOL    HW1 1223   2.894   2.920   2.461  2.1918  1.4395  1.9676
+  408SOL    HW2 1224   2.954   2.782   2.448 -1.1218  0.1773 -0.0065
+  409SOL     OW 1225   1.863   0.023   0.383 -0.1814  0.2347  0.2069
+  409SOL    HW1 1226   1.776   0.050   0.351  0.1337  0.0127 -0.8416
+  409SOL    HW2 1227   1.895   0.100   0.430 -1.5914 -0.2165  1.8961
+  410SOL     OW 1228  -0.017   1.709   1.712  0.1555 -0.0340  0.4988
+  410SOL    HW1 1229  -0.037   1.632   1.766  1.5499 -0.0869  0.9287
+  410SOL    HW2 1230   0.057   1.682   1.658 -0.2851  0.5248 -0.3833
+  411SOL     OW 1231   1.941   0.388   0.928  0.1598  0.2695 -0.5687
+  411SOL    HW1 1232   1.852   0.403   0.962 -0.2040  0.8565 -1.7879
+  411SOL    HW2 1233   1.997   0.433   0.991 -0.3759 -0.5710  0.5108
+  412SOL     OW 1234   1.452   2.278   2.645 -0.3368 -0.7605  0.6261
+  412SOL    HW1 1235   1.429   2.266   2.553 -1.6321 -0.3546  0.9011
+  412SOL    HW2 1236   1.388   2.340   2.678  0.3044 -0.6873  1.7379
+  413SOL     OW 1237   2.016   3.016   0.120 -0.2102  0.4719  0.3668
+  413SOL    HW1 1238   1.932   2.973   0.104  1.6849 -2.8764 -0.6425
+  413SOL    HW2 1239   2.041   2.990   0.208  0.2042  0.7702  0.3406
+  414SOL     OW 1240   1.851   1.850   0.781 -0.5186 -0.4904  0.0598
+  414SOL    HW1 1241   1.870   1.933   0.737 -2.1080 -0.3320 -0.3259
+  414SOL    HW2 1242   1.935   1.805   0.782  0.5351  1.4728  1.0064
+  415SOL     OW 1243   0.371   0.262   0.893  0.8326  0.0058 -0.0022
+  415SOL    HW1 1244   0.349   0.263   0.800 -0.3638 -0.4976  0.2780
+  415SOL    HW2 1245   0.440   0.329   0.902  0.2778  0.7192 -1.0790
+  416SOL     OW 1246   1.451   1.537   2.812 -0.1750 -0.0408  0.3649
+  416SOL    HW1 1247   1.455   1.444   2.790  0.6111 -0.4233  2.1184
+  416SOL    HW2 1248   1.476   1.582   2.731 -0.6163 -1.3631 -0.4961
+  417SOL     OW 1249   1.527   1.147   2.079 -0.6137  0.8840 -0.1928
+  417SOL    HW1 1250   1.613   1.155   2.120 -1.2600  1.3160  1.0891
+  417SOL    HW2 1251   1.521   1.055   2.054 -0.6709  0.3536  1.7260
+  418SOL     OW 1252   0.191   2.574   2.276  0.7624  0.1577 -0.1423
+  418SOL    HW1 1253   0.202   2.518   2.353 -1.4745 -0.1337 -0.0483
+  418SOL    HW2 1254   0.181   2.662   2.311  2.5299  0.3966 -0.2205
+  419SOL     OW 1255   0.892   0.633   1.762  0.1146  0.1214 -0.5151
+  419SOL    HW1 1256   0.921   0.708   1.711 -0.3569  0.0026 -0.9552
+  419SOL    HW2 1257   0.971   0.603   1.808  0.5844  0.0914 -1.3344
+  420SOL     OW 1258   2.212   2.633   2.635 -0.1512  0.1351 -0.3090
+  420SOL    HW1 1259   2.148   2.701   2.617 -0.4794 -0.3899 -1.1427
+  420SOL    HW2 1260   2.276   2.674   2.693 -0.1826  1.2367 -1.0563
+  421SOL     OW 1261   2.844   1.524   1.036  0.5403 -0.4388 -0.0236
+  421SOL    HW1 1262   2.792   1.476   0.971 -1.0943  1.9906 -0.5116
+  421SOL    HW2 1263   2.779   1.570   1.088  2.1479  1.3794  0.3400
+  422SOL     OW 1264   1.558   2.494   1.959  0.2265  0.0375  0.4178
+  422SOL    HW1 1265   1.528   2.511   1.870  2.3120 -1.0498 -0.4903
+  422SOL    HW2 1266   1.627   2.559   1.974 -1.1583  1.2147  1.7841
+  423SOL     OW 1267   0.252   2.366   0.482 -0.4167  0.6655 -0.2874
+  423SOL    HW1 1268   0.270   2.329   0.396 -0.8290 -0.8879  0.2968
+  423SOL    HW2 1269   0.217   2.293   0.533  0.0029  1.5332  1.2524
+  424SOL     OW 1270   1.829   2.977   0.932  0.2249 -0.2508 -0.0943
+  424SOL    HW1 1271   1.874   2.950   0.852 -0.2689 -1.3984  0.0098
+  424SOL    HW2 1272   1.898   3.018   0.986  0.9041 -0.9645 -0.4140
+  425SOL     OW 1273   1.763   1.629   2.938  0.0100  0.4502  0.0576
+  425SOL    HW1 1274   1.692   1.693   2.934  0.6099  1.1476  0.7391
+  425SOL    HW2 1275   1.807   1.646   3.021 -0.4605 -1.5138  0.7021
+  426SOL     OW 1276   0.333   1.871   0.775  0.0247 -0.1808  0.1905
+  426SOL    HW1 1277   0.376   1.941   0.726  0.7700 -0.6109  0.2284
+  426SOL    HW2 1278   0.394   1.852   0.846 -0.2115 -0.8298  0.2111
+  427SOL     OW 1279   2.379   2.488   2.331 -0.2140 -0.6756 -0.4913
+  427SOL    HW1 1280   2.333   2.506   2.413  2.5446  1.3372  0.6223
+  427SOL    HW2 1281   2.425   2.406   2.347 -0.5245 -0.8307 -0.3886
+  428SOL     OW 1282   2.473   0.584   1.293  0.1582 -0.1862  0.6393
+  428SOL    HW1 1283   2.466   0.669   1.249 -1.2424 -0.3266  0.5867
+  428SOL    HW2 1284   2.566   0.574   1.311  0.8458 -0.5493 -3.1634
+  429SOL     OW 1285   1.059   1.963   1.570 -0.5140 -0.2757  0.0710
+  429SOL    HW1 1286   1.115   1.935   1.497 -0.8242  0.2129 -0.3539
+  429SOL    HW2 1287   1.121   1.984   1.640 -0.1738  0.0937 -0.3419
+  430SOL     OW 1288   2.510   2.248   2.406 -0.2969 -0.5465  0.3924
+  430SOL    HW1 1289   2.496   2.188   2.480  2.3183  1.6858  2.6912
+  430SOL    HW2 1290   2.577   2.205   2.354  1.0959  0.0778  1.6813
+  431SOL     OW 1291   0.256   0.595   1.980  0.2301 -0.5980 -0.0864
+  431SOL    HW1 1292   0.289   0.619   1.893 -1.0174 -0.8796 -0.6438
+  431SOL    HW2 1293   0.334   0.583   2.033  0.9596  1.9695 -0.5380
+  432SOL     OW 1294   1.582   1.257   1.813 -0.2175  0.0780  0.2235
+  432SOL    HW1 1295   1.572   1.290   1.903 -0.5615 -0.7929  0.5111
+  432SOL    HW2 1296   1.492   1.250   1.781 -0.1924 -1.5407  0.5129
+  433SOL     OW 1297   0.550   1.523   0.373  0.1488 -0.2217 -0.2277
+  433SOL    HW1 1298   0.494   1.484   0.440  1.5883  0.0517  1.1076
+  433SOL    HW2 1299   0.620   1.459   0.359 -0.4702 -0.5532 -1.8957
+  434SOL     OW 1300   1.033   0.805   0.538 -0.5784 -0.4541  0.1833
+  434SOL    HW1 1301   0.954   0.819   0.591  0.0924 -1.0107  1.3227
+  434SOL    HW2 1302   1.030   0.876   0.473 -0.6448  1.1052  1.8743
+  435SOL     OW 1303   2.357   1.042   2.672  0.0189  0.3975  0.3311
+  435SOL    HW1 1304   2.329   1.000   2.754 -0.9593  0.3140 -0.0459
+  435SOL    HW2 1305   2.408   1.118   2.701 -1.3973  1.0924  1.0251
+  436SOL     OW 1306   2.421   0.680   2.352  0.1573 -0.3954  0.6540
+  436SOL    HW1 1307   2.363   0.615   2.390 -1.5980 -0.3215 -1.9006
+  436SOL    HW2 1308   2.502   0.673   2.403 -1.3233 -1.9946  2.7735
+  437SOL     OW 1309   1.893   1.993   1.070  0.8744  0.2772 -0.1221
+  437SOL    HW1 1310   1.816   1.940   1.091  3.1274 -1.7958  2.9997
+  437SOL    HW2 1311   1.912   1.972   0.979 -0.9495 -0.8664 -0.2467
+  438SOL     OW 1312   0.748   1.375   1.702 -0.0587  0.7205 -0.1535
+  438SOL    HW1 1313   0.714   1.461   1.677 -2.5219 -0.5133 -1.0556
+  438SOL    HW2 1314   0.820   1.360   1.641  0.1396  1.9669 -0.2433
+  439SOL     OW 1315   1.164   2.801   2.304  0.4998  0.2910  0.1262
+  439SOL    HW1 1316   1.162   2.804   2.400  0.0790 -2.1543  0.1998
+  439SOL    HW2 1317   1.233   2.738   2.284  0.6736  0.8944 -1.1889
+  440SOL     OW 1318   2.626   0.823   0.797 -0.3677  0.5829  0.1050
+  440SOL    HW1 1319   2.718   0.799   0.794 -0.5117  0.0671 -0.3281
+  440SOL    HW2 1320   2.590   0.772   0.869 -0.5592 -0.1067 -0.4721
+  441SOL     OW 1321   2.039   1.488   0.887 -0.1400  0.6099  0.3564
+  441SOL    HW1 1322   1.969   1.441   0.842  2.3991 -3.0881  0.3120
+  441SOL    HW2 1323   2.038   1.455   0.976  1.1329  1.0079  0.5238
+  442SOL     OW 1324   2.988   1.599   2.909 -0.0579 -0.2454 -0.0737
+  442SOL    HW1 1325   2.928   1.597   2.983  2.8396  0.5920  2.2983
+  442SOL    HW2 1326   3.071   1.564   2.944  1.6438  1.2611 -2.5937
+  443SOL     OW 1327   0.041   0.594   0.763 -0.0751  0.2843 -0.1965
+  443SOL    HW1 1328   0.105   0.523   0.771  0.2036  0.4704 -0.8274
+  443SOL    HW2 1329   0.083   0.659   0.707  0.0025  1.3372  1.0696
+  444SOL     OW 1330   1.431   1.155   0.012  0.5967 -0.2764 -0.3688
+  444SOL    HW1 1331   1.496   1.084   0.021 -0.0174 -0.9317 -1.1050
+  444SOL    HW2 1332   1.483   1.235   0.019  1.2251 -0.8057  0.9659
+  445SOL     OW 1333   2.246   2.363   1.534  0.1532  0.2810  0.5880
+  445SOL    HW1 1334   2.280   2.362   1.623  2.9703  0.9865 -0.4730
+  445SOL    HW2 1335   2.284   2.442   1.495 -0.3483 -0.5239 -1.5293
+  446SOL     OW 1336   0.112   2.853   0.193 -0.1264 -0.1924  0.1528
+  446SOL    HW1 1337   0.043   2.828   0.131  0.6870  1.9062 -1.5819
+  446SOL    HW2 1338   0.168   2.775   0.198 -2.2947 -1.6975  1.1280
+  447SOL     OW 1339   0.591   2.459   2.951  0.1560 -0.1447 -0.6774
+  447SOL    HW1 1340   0.685   2.469   2.940  0.2454  0.2251  0.4512
+  447SOL    HW2 1341   0.576   2.365   2.947  0.6947 -0.2638  0.2253
+  448SOL     OW 1342   1.125   0.018   0.309  0.6625  0.6794 -0.1923
+  448SOL    HW1 1343   1.221   0.026   0.314  0.8406 -0.6813 -1.2308
+  448SOL    HW2 1344   1.105   0.032   0.217 -0.3630  3.2262  0.4295
+  449SOL     OW 1345   1.475   2.225   1.626  0.2531 -0.2797  0.3384
+  449SOL    HW1 1346   1.529   2.146   1.638 -0.4126 -0.9240 -0.9246
+  449SOL    HW2 1347   1.404   2.214   1.690  0.3378 -0.5431  0.3913
+  450SOL     OW 1348   0.774   1.733   1.127  0.6151  0.0909 -0.3893
+  450SOL    HW1 1349   0.740   1.800   1.186 -0.1165 -1.7192  1.2260
+  450SOL    HW2 1350   0.846   1.693   1.175  1.8067  0.5287 -1.8308
+  451SOL     OW 1351   1.102   1.269   2.713 -0.0571 -0.1812 -0.3911
+  451SOL    HW1 1352   1.146   1.306   2.789 -2.6189  0.1773  0.9040
+  451SOL    HW2 1353   1.138   1.317   2.638  3.1195 -1.1667  0.5067
+  452SOL     OW 1354   1.980   1.134   2.007  0.1985  0.3749 -0.0722
+  452SOL    HW1 1355   1.935   1.074   2.066  1.7845 -0.1610  0.6051
+  452SOL    HW2 1356   1.998   1.211   2.059 -1.3646  1.2259 -0.7949
+  453SOL     OW 1357   1.554   0.863   1.022  0.4876  0.2545 -0.0076
+  453SOL    HW1 1358   1.575   0.774   1.048 -1.9451 -0.7511 -1.5867
+  453SOL    HW2 1359   1.560   0.914   1.104  1.0439 -1.4760  1.0200
+  454SOL     OW 1360   1.274   0.369   2.138  0.3617  0.4656  0.1542
+  454SOL    HW1 1361   1.253   0.461   2.150  0.9720  0.8608 -1.8485
+  454SOL    HW2 1362   1.269   0.331   2.226  0.1445  2.4067  0.9660
+  455SOL     OW 1363   0.727   2.136   0.154 -0.1534 -0.3967 -0.4266
+  455SOL    HW1 1364   0.672   2.163   0.081  1.2925  0.0875 -1.3381
+  455SOL    HW2 1365   0.675   2.158   0.232 -1.3750 -0.2278 -1.2912
+  456SOL     OW 1366   0.658   1.553   2.120 -0.6320 -0.1404 -0.3683
+  456SOL    HW1 1367   0.570   1.520   2.102 -1.1338  0.3952  1.0859
+  456SOL    HW2 1368   0.665   1.631   2.065 -1.1202 -0.1042 -0.3835
+  457SOL     OW 1369   0.644   2.281   2.631 -0.0014  0.1695 -0.2228
+  457SOL    HW1 1370   0.629   2.335   2.553  0.4190 -0.1941 -0.5550
+  457SOL    HW2 1371   0.739   2.280   2.642  0.2060 -3.4508 -2.3256
+  458SOL     OW 1372   2.889   1.459   0.422 -0.0813  0.4471  0.1132
+  458SOL    HW1 1373   2.879   1.444   0.516  0.1577  0.3856  0.1297
+  458SOL    HW2 1374   2.963   1.519   0.415 -3.5502  4.7271  0.2577
+  459SOL     OW 1375   1.130   1.436   1.120 -0.0076  0.3311  0.2859
+  459SOL    HW1 1376   1.048   1.387   1.123  0.8718 -1.0386  1.9317
+  459SOL    HW2 1377   1.138   1.463   1.029 -0.2243 -3.0454 -0.7492
+  460SOL     OW 1378   0.174   2.894   1.004  0.1324 -0.2155  0.4146
+  460SOL    HW1 1379   0.138   2.841   1.075  0.9953 -0.5259  0.6234
+  460SOL    HW2 1380   0.238   2.951   1.046  0.6656 -0.4180 -0.1148
+  461SOL     OW 1381   2.954   0.755   0.205 -0.0835  0.6440  0.0916
+  461SOL    HW1 1382   3.007   0.718   0.276  0.5477  0.0435 -0.6982
+  461SOL    HW2 1383   2.983   0.846   0.199 -0.4982  0.8353  0.9501
+  462SOL     OW 1384   0.308   1.312   0.226  0.0555  0.4452  0.6502
+  462SOL    HW1 1385   0.371   1.355   0.169  0.9634  0.0998  1.3984
+  462SOL    HW2 1386   0.278   1.236   0.175 -1.0977  1.6182 -0.4229
+  463SOL     OW 1387   2.917   0.294   0.384 -0.0969  0.2017  0.3460
+  463SOL    HW1 1388   2.894   0.364   0.323 -0.2984  0.6195  0.9043
+  463SOL    HW2 1389   2.897   0.213   0.336  1.1345  0.5184 -0.6858
+  464SOL     OW 1390   0.062   0.742   2.173 -0.0866 -0.0752 -0.5147
+  464SOL    HW1 1391   0.033   0.725   2.262 -0.3377  0.7491 -0.4424
+  464SOL    HW2 1392   0.156   0.724   2.174 -0.0060  0.4116  0.0278
+  465SOL     OW 1393   1.409   1.324   0.666  0.4792  0.2853  0.1025
+  465SOL    HW1 1394   1.389   1.320   0.759  0.1761  1.1919  0.0834
+  465SOL    HW2 1395   1.481   1.263   0.653 -0.0115 -0.4253  0.7936
+  466SOL     OW 1396   1.361   2.813   1.364 -0.5101  0.3533  0.3207
+  466SOL    HW1 1397   1.353   2.905   1.336  1.3781  0.7404  1.0967
+  466SOL    HW2 1398   1.311   2.808   1.445 -1.0092  0.5864  0.0281
+  467SOL     OW 1399   0.904   2.188   2.407 -0.3130  0.0389 -0.1191
+  467SOL    HW1 1400   0.881   2.110   2.356  1.6059 -1.3222  1.0904
+  467SOL    HW2 1401   0.965   2.237   2.352 -1.3841  0.5994 -0.8067
+  468SOL     OW 1402   1.500   2.540   1.671 -0.4938  0.1210 -0.6569
+  468SOL    HW1 1403   1.589   2.506   1.661  0.1222  1.9010 -1.3151
+  468SOL    HW2 1404   1.492   2.608   1.604 -2.7053 -0.7450 -1.2859
+  469SOL     OW 1405   1.790   0.242   1.916 -0.0490  0.4735  0.2669
+  469SOL    HW1 1406   1.868   0.298   1.920  0.3356 -0.0159 -0.5969
+  469SOL    HW2 1407   1.764   0.244   1.824  0.3440 -1.3074  0.1170
+  470SOL     OW 1408   1.466   2.580   1.332  0.4109  0.0346 -0.0833
+  470SOL    HW1 1409   1.424   2.665   1.344 -2.1491 -1.2442 -0.0292
+  470SOL    HW2 1410   1.472   2.570   1.237 -0.7931 -0.4560 -0.1128
+  471SOL     OW 1411   0.386   1.424   2.107 -0.9193  0.0882 -0.1795
+  471SOL    HW1 1412   0.354   1.334   2.100  0.3904 -0.3199 -1.0070
+  471SOL    HW2 1413   0.309   1.478   2.091 -1.7716 -0.8851  0.6217
+  472SOL     OW 1414   0.365   1.168   0.492 -0.6582 -0.4068  0.1706
+  472SOL    HW1 1415   0.356   1.206   0.579  0.5446  0.1153  0.0614
+  472SOL    HW2 1416   0.384   1.242   0.435  0.8919 -1.0816 -0.1643
+  473SOL     OW 1417   1.771   0.336   2.567 -0.0786  0.2388  0.3121
+  473SOL    HW1 1418   1.753   0.430   2.557  1.1144  0.5183  0.8947
+  473SOL    HW2 1419   1.823   0.313   2.490 -1.5542 -0.2363 -0.5431
+  474SOL     OW 1420   0.231   0.622   1.046  0.2528 -0.0757 -0.6409
+  474SOL    HW1 1421   0.144   0.634   1.084  0.0101 -0.8924 -0.9400
+  474SOL    HW2 1422   0.288   0.677   1.099 -0.5696  1.0312 -0.9013
+  475SOL     OW 1423   1.930   1.411   2.395  0.0134  0.1862  0.3738
+  475SOL    HW1 1424   1.898   1.491   2.437 -1.3161 -1.4635  2.4664
+  475SOL    HW2 1425   1.912   1.341   2.458  2.0577 -1.6398 -1.0505
+  476SOL     OW 1426   0.951   1.232   1.113  0.3410  0.4211 -0.5304
+  476SOL    HW1 1427   0.932   1.202   1.202 -0.1321  1.6942 -0.2054
+  476SOL    HW2 1428   0.893   1.180   1.058 -1.1414  1.3816  0.1208
+  477SOL     OW 1429   0.831   1.016   1.599 -0.2497 -0.0520  0.1091
+  477SOL    HW1 1430   0.743   1.035   1.633 -0.4833  0.8043 -0.9901
+  477SOL    HW2 1431   0.883   0.998   1.677 -0.3445  3.7977  1.0692
+  478SOL     OW 1432   1.648   2.250   2.123  0.7085  0.0073  0.3409
+  478SOL    HW1 1433   1.644   2.345   2.112  1.0168  0.0778  0.7940
+  478SOL    HW2 1434   1.656   2.216   2.035  0.4382  0.3966  0.1637
+  479SOL     OW 1435   1.264   1.489   2.195  0.1279  0.6002  0.5353
+  479SOL    HW1 1436   1.219   1.420   2.145 -2.2971  2.6553 -0.0957
+  479SOL    HW2 1437   1.323   1.530   2.131  0.0861  0.4685  0.4114
+  480SOL     OW 1438   0.263   0.053   2.895 -0.3720  0.1971  0.2231
+  480SOL    HW1 1439   0.185   0.004   2.921  0.4169 -1.9479 -1.5253
+  480SOL    HW2 1440   0.276   0.116   2.966 -2.4348 -0.8721  1.5522
+  481SOL     OW 1441   2.091   0.275   2.856  0.7740 -0.0289  0.5951
+  481SOL    HW1 1442   2.003   0.289   2.893  0.3614 -0.1885 -0.3252
+  481SOL    HW2 1443   2.115   0.360   2.820  0.5461 -0.2604 -0.1114
+  482SOL     OW 1444   1.247   1.806   1.379 -0.2383  0.5765  0.5349
+  482SOL    HW1 1445   1.312   1.794   1.448 -0.1600  0.9188  0.5234
+  482SOL    HW2 1446   1.298   1.817   1.299 -0.4123 -2.4716  0.0198
+  483SOL     OW 1447   2.979   1.540   2.275 -0.0837 -0.3392  0.1832
+  483SOL    HW1 1448   2.985   1.580   2.362 -1.0588 -1.3937  0.7434
+  483SOL    HW2 1449   2.977   1.446   2.292 -1.4360 -0.5164 -0.8997
+  484SOL     OW 1450   1.234   2.278   1.779 -0.3614  0.1478  0.1964
+  484SOL    HW1 1451   1.232   2.368   1.809  1.1126 -0.3525  1.7931
+  484SOL    HW2 1452   1.147   2.264   1.740 -0.2565  2.5140 -0.8861
+  485SOL     OW 1453   2.326   1.726   2.169  0.7855  0.2867  0.7691
+  485SOL    HW1 1454   2.343   1.734   2.075  2.5869 -0.8198  1.0100
+  485SOL    HW2 1455   2.261   1.794   2.187  2.0204  1.9097 -0.8650
+  486SOL     OW 1456   2.027   1.975   0.056 -0.1914 -0.0776 -0.0359
+  486SOL    HW1 1457   2.056   2.065   0.070 -0.8954 -0.0120  0.9834
+  486SOL    HW2 1458   2.028   1.965  -0.039  0.0141  0.9682 -0.1505
+  487SOL     OW 1459   2.500   2.550   1.893 -0.2578 -0.2390 -0.5672
+  487SOL    HW1 1460   2.421   2.580   1.848  0.6336  0.0454 -1.9084
+  487SOL    HW2 1461   2.475   2.550   1.986 -1.2759  1.5437 -0.8383
+  488SOL     OW 1462   1.187   1.515   0.880 -0.0047 -0.0238 -0.2281
+  488SOL    HW1 1463   1.269   1.468   0.899  0.4503  1.0153  0.3680
+  488SOL    HW2 1464   1.167   1.492   0.790  0.4191 -1.0838 -0.0552
+  489SOL     OW 1465   1.021   1.686   1.251 -0.0912 -0.5348  0.7382
+  489SOL    HW1 1466   1.054   1.596   1.243 -0.7906 -0.8113  0.9476
+  489SOL    HW2 1467   1.071   1.724   1.323  3.0404  0.5168 -1.9893
+  490SOL     OW 1468   1.179   1.863   0.495  0.0534  0.2494 -0.7560
+  490SOL    HW1 1469   1.160   1.908   0.578 -1.5136  0.6069 -1.3009
+  490SOL    HW2 1470   1.095   1.864   0.448  0.6285 -1.0827 -1.8023
+  491SOL     OW 1471   1.201   1.648   2.793 -0.4307  0.0746 -0.4392
+  491SOL    HW1 1472   1.207   1.743   2.803  0.0800  0.1798 -1.7613
+  491SOL    HW2 1473   1.287   1.615   2.820 -1.2187 -0.1613  1.8001
+  492SOL     OW 1474   0.565   2.698   1.586 -0.0591 -0.0840  0.3690
+  492SOL    HW1 1475   0.565   2.669   1.495  0.4110 -0.7818  0.5975
+  492SOL    HW2 1476   0.490   2.758   1.592  0.6535  0.9260 -0.7786
+  493SOL     OW 1477   0.197   1.531   1.381 -0.0336 -0.0453  0.2618
+  493SOL    HW1 1478   0.167   1.619   1.358 -0.4074 -0.4536 -0.7809
+  493SOL    HW2 1479   0.168   1.520   1.472  0.1569  0.9704  0.4478
+  494SOL     OW 1480   2.529   2.747   0.176 -0.2448  0.2596 -0.0554
+  494SOL    HW1 1481   2.456   2.727   0.117 -1.9910  2.7128  1.2934
+  494SOL    HW2 1482   2.517   2.839   0.200  2.5578  0.3138  1.1951
+  495SOL     OW 1483   2.759   2.422   1.784  0.2514 -0.5900  0.1351
+  495SOL    HW1 1484   2.677   2.471   1.791  0.4480 -0.2070 -0.2946
+  495SOL    HW2 1485   2.736   2.333   1.811 -0.7314 -0.9453 -1.9112
+  496SOL     OW 1486   2.800   0.581   0.927 -0.5178  0.3119  0.1086
+  496SOL    HW1 1487   2.820   0.525   1.002 -2.5755  2.0019  1.9282
+  496SOL    HW2 1488   2.862   0.554   0.860  1.2775 -1.2818  2.3991
+  497SOL     OW 1489   0.162   2.217   0.697  0.0895 -0.0636 -0.6751
+  497SOL    HW1 1490   0.119   2.210   0.782  0.5973 -0.0989 -0.4208
+  497SOL    HW2 1491   0.191   2.128   0.677  0.7657  0.1114 -0.4706
+  498SOL     OW 1492   0.262   2.094   1.281 -0.2461  0.2877 -0.2528
+  498SOL    HW1 1493   0.243   2.055   1.196  0.2150  0.3318 -0.3765
+  498SOL    HW2 1494   0.346   2.138   1.269 -0.9461  1.6355 -0.2261
+  499SOL     OW 1495   2.111   1.748   0.937  0.1040 -0.1699 -0.0763
+  499SOL    HW1 1496   2.087   1.678   0.876  0.6214  0.1759 -0.6710
+  499SOL    HW2 1497   2.077   1.719   1.021  0.2628 -1.1096 -0.3392
+  500SOL     OW 1498   2.434   0.873   1.570 -0.5228  0.1673 -0.2320
+  500SOL    HW1 1499   2.527   0.882   1.591 -0.2253  0.8536 -1.7922
+  500SOL    HW2 1500   2.410   0.956   1.529 -1.4303 -0.5854 -1.2512
+  501SOL     OW 1501   0.482   0.450   0.380 -0.6889 -0.0809  0.0659
+  501SOL    HW1 1502   0.527   0.395   0.316  0.2124 -0.9762  1.4819
+  501SOL    HW2 1503   0.402   0.401   0.402 -1.0806  0.3040 -0.5002
+  502SOL     OW 1504   2.363   1.120   1.447 -0.2177 -0.6509  0.5514
+  502SOL    HW1 1505   2.446   1.162   1.469 -0.3525 -0.1554  0.1240
+  502SOL    HW2 1506   2.372   1.095   1.355 -0.5028 -0.6805  0.5297
+  503SOL     OW 1507   1.479   0.752   2.902 -0.4436  0.2221  0.2502
+  503SOL    HW1 1508   1.455   0.663   2.928  0.7187 -0.5962 -1.4883
+  503SOL    HW2 1509   1.512   0.793   2.983  3.0210 -2.2757  0.1208
+  504SOL     OW 1510   1.801   1.992   1.512  0.0781  0.8236  0.0538
+  504SOL    HW1 1511   1.873   2.033   1.465  1.5360 -1.2377  0.5030
+  504SOL    HW2 1512   1.796   2.039   1.595 -0.5850  2.4899 -0.9325
+  505SOL     OW 1513   1.383   2.361   0.836 -1.0967 -0.1203  0.2677
+  505SOL    HW1 1514   1.364   2.434   0.896 -1.3276 -1.0118  1.2870
+  505SOL    HW2 1515   1.386   2.284   0.893 -0.3451 -0.8332 -0.7401
+  506SOL     OW 1516   1.425   0.896   1.568  0.2655 -0.6466 -1.3439
+  506SOL    HW1 1517   1.504   0.925   1.612 -0.4347 -0.8886  0.0846
+  506SOL    HW2 1518   1.408   0.963   1.502  0.8736  0.1340 -0.7084
+  507SOL     OW 1519   0.487   2.406   0.654 -0.3029  0.5738 -0.1669
+  507SOL    HW1 1520   0.550   2.348   0.612  0.9827  2.1828 -0.4769
+  507SOL    HW2 1521   0.405   2.393   0.607  0.4099  0.2476 -1.2904
+  508SOL     OW 1522   0.867   1.163   2.772  0.4196  0.2368 -0.2583
+  508SOL    HW1 1523   0.838   1.150   2.681 -1.2572  2.4162 -0.0624
+  508SOL    HW2 1524   0.945   1.218   2.764  1.3895 -1.1693 -0.4858
+  509SOL     OW 1525   1.718   0.096   2.291  0.7483 -0.1663  0.5017
+  509SOL    HW1 1526   1.722   0.186   2.258  2.1262 -0.8528 -1.2171
+  509SOL    HW2 1527   1.723   0.042   2.212  2.8063 -1.8037  1.7771
+  510SOL     OW 1528   2.399   0.181   1.915  0.3614  0.3563 -0.2948
+  510SOL    HW1 1529   2.458   0.231   1.971 -0.8175 -1.3207  2.4473
+  510SOL    HW2 1530   2.334   0.245   1.884  0.2012  0.9915  1.3677
+  511SOL     OW 1531   1.614   2.607   2.638  0.3386 -0.2844  0.7787
+  511SOL    HW1 1532   1.601   2.522   2.597 -0.4399  0.6030 -0.7963
+  511SOL    HW2 1533   1.709   2.618   2.644  0.4451 -0.4565 -0.6685
+  512SOL     OW 1534   1.938   2.880   0.661 -0.0692 -0.2646 -0.5070
+  512SOL    HW1 1535   1.910   2.900   0.571 -1.6755 -2.5448 -0.5031
+  512SOL    HW2 1536   1.987   2.798   0.653 -0.7263 -0.7721  0.8179
+  513SOL     OW 1537   1.379   0.356   2.521 -0.8600  0.0863  0.4002
+  513SOL    HW1 1538   1.405   0.300   2.448 -0.4079  0.5397  0.2110
+  513SOL    HW2 1539   1.447   0.424   2.524 -0.7151 -0.1067  1.4293
+  514SOL     OW 1540   2.358   2.753   1.326 -0.1404 -0.6419  0.0228
+  514SOL    HW1 1541   2.451   2.751   1.302 -0.3604 -0.4890 -0.8214
+  514SOL    HW2 1542   2.312   2.721   1.248 -0.7561 -1.2711  0.6417
+  515SOL     OW 1543   1.763   2.344   1.500  0.2380  0.5938  0.4310
+  515SOL    HW1 1544   1.669   2.357   1.491  0.3122  0.3700 -0.6978
+  515SOL    HW2 1545   1.797   2.356   1.411  1.1084 -0.6850  0.5997
+  516SOL     OW 1546   2.411   1.148   1.171  0.2229 -0.4082  0.6787
+  516SOL    HW1 1547   2.485   1.204   1.149  0.6315 -0.9072  0.7827
+  516SOL    HW2 1548   2.336   1.207   1.176  0.5558  0.0460  0.2393
+  517SOL     OW 1549   2.937   2.415  -0.003 -0.9709 -0.7072 -0.4583
+  517SOL    HW1 1550   2.857   2.440   0.044 -0.3352 -2.2846  1.4811
+  517SOL    HW2 1551   2.975   2.346   0.051  3.4430  2.3793  0.3012
+  518SOL     OW 1552   0.441   0.701   1.536 -0.0517 -0.3822 -0.0452
+  518SOL    HW1 1553   0.521   0.662   1.502  2.5928  3.9657  1.1222
+  518SOL    HW2 1554   0.415   0.764   1.470 -1.6701 -0.7309  0.2666
+  519SOL     OW 1555   2.588   1.056   1.945  0.5785 -0.2314  0.1486
+  519SOL    HW1 1556   2.496   1.050   1.970  1.0820  1.1133  2.2439
+  519SOL    HW2 1557   2.619   0.965   1.944 -0.4388 -0.5751  0.5821
+  520SOL     OW 1558   1.302   1.211   1.706  0.1531  0.0842  0.1049
+  520SOL    HW1 1559   1.234   1.270   1.739 -1.4071 -2.1811  0.8606
+  520SOL    HW2 1560   1.270   1.183   1.620  1.1400  0.7274 -0.4758
+  521SOL     OW 1561   1.212   0.541   1.533 -0.3047  0.0162 -0.9997
+  521SOL    HW1 1562   1.134   0.488   1.515 -0.3506 -0.3220  0.2012
+  521SOL    HW2 1563   1.267   0.485   1.587 -0.2392  1.0969  0.0638
+  522SOL     OW 1564   2.546   1.182   2.513 -0.0672  0.0057  0.2076
+  522SOL    HW1 1565   2.608   1.114   2.542 -0.6853  0.6617  3.0466
+  522SOL    HW2 1566   2.596   1.263   2.518 -0.4150  0.2215  0.1307
+  523SOL     OW 1567   1.291   1.255   2.019 -0.5182 -0.2522  0.0288
+  523SOL    HW1 1568   1.375   1.212   2.036 -0.4290 -0.0605  0.0700
+  523SOL    HW2 1569   1.226   1.192   2.048 -0.3586  0.3238  1.6165
+  524SOL     OW 1570   1.990   1.436   1.380  0.2063 -0.2115 -0.3619
+  524SOL    HW1 1571   1.952   1.512   1.426  4.3117  2.2070 -0.9267
+  524SOL    HW2 1572   2.030   1.384   1.450 -1.4634 -1.1713 -0.1262
+  525SOL     OW 1573   2.095   0.778   2.515 -0.3180  0.1810  0.0889
+  525SOL    HW1 1574   2.124   0.869   2.522  0.8312 -0.2240  0.6893
+  525SOL    HW2 1575   2.017   0.773   2.571  0.2468  0.5347  0.9045
+  526SOL     OW 1576   0.713   1.318   0.530 -0.1570 -0.1675  0.0582
+  526SOL    HW1 1577   0.656   1.291   0.603  0.8048  0.3146  0.9853
+  526SOL    HW2 1578   0.784   1.254   0.531 -0.0269 -0.0216 -0.3155
+  527SOL     OW 1579   0.566   2.951   0.713  0.1663 -0.1444 -0.0700
+  527SOL    HW1 1580   0.647   2.987   0.677  0.6955 -0.9788  0.3059
+  527SOL    HW2 1581   0.572   2.857   0.700 -0.4677 -0.2750  0.5199
+  528SOL     OW 1582   0.189   1.224   2.976  0.3896  0.7920 -0.5500
+  528SOL    HW1 1583   0.196   1.320   2.981 -0.3721  0.8447 -0.4267
+  528SOL    HW2 1584   0.132   1.208   2.901  0.4383  0.4384 -0.5101
+  529SOL     OW 1585   0.747   0.159   1.108  0.2625 -0.2288 -0.5308
+  529SOL    HW1 1586   0.734   0.239   1.056  1.0356 -0.2802 -0.8066
+  529SOL    HW2 1587   0.831   0.173   1.152 -1.4034  0.7283  2.3695
+  530SOL     OW 1588   2.167   1.601   0.263 -0.4262  0.9675 -0.8818
+  530SOL    HW1 1589   2.133   1.690   0.275  0.5452  1.2483 -0.1398
+  530SOL    HW2 1590   2.258   1.607   0.291 -0.5761 -0.4439 -0.0923
+  531SOL     OW 1591   0.555   2.273   1.289  0.3143 -0.4253  0.1216
+  531SOL    HW1 1592   0.641   2.315   1.296  0.3306 -0.4168 -0.1298
+  531SOL    HW2 1593   0.512   2.318   1.217 -0.5763  0.7587  1.3970
+  532SOL     OW 1594   0.174   0.598   0.366 -0.2975 -0.5389 -0.6501
+  532SOL    HW1 1595   0.252   0.594   0.312 -0.4853 -1.1606 -0.8753
+  532SOL    HW2 1596   0.158   0.507   0.393  1.8151  0.2946  3.3172
+  533SOL     OW 1597   2.018   2.671   1.803 -0.0898 -0.3166  0.7211
+  533SOL    HW1 1598   2.099   2.624   1.781  0.5464  0.3805  1.5635
+  533SOL    HW2 1599   1.948   2.610   1.781  0.7361 -1.5501  1.5398
+  534SOL     OW 1600   1.552   0.552   1.211  0.2689  0.3670 -0.4767
+  534SOL    HW1 1601   1.552   0.480   1.274 -1.9179 -0.8500 -1.9097
+  534SOL    HW2 1602   1.531   0.629   1.263  0.0889 -0.4039  0.5887
+  535SOL     OW 1603   2.211   1.416   1.837  0.1455  0.5265  0.4643
+  535SOL    HW1 1604   2.166   1.339   1.804  1.0151 -0.7664  2.3230
+  535SOL    HW2 1605   2.252   1.455   1.760  1.8562 -2.2964 -0.0686
+  536SOL     OW 1606   1.178   2.204   1.211  0.0105 -0.0205  0.2160
+  536SOL    HW1 1607   1.270   2.216   1.235  0.7103 -0.4403 -2.2491
+  536SOL    HW2 1608   1.143   2.293   1.207  0.6647  0.2169 -0.2372
+  537SOL     OW 1609   2.736   2.214   2.244 -0.5990 -0.5882 -0.0489
+  537SOL    HW1 1610   2.738   2.283   2.177  0.0088 -1.8392 -1.3352
+  537SOL    HW2 1611   2.695   2.140   2.199 -2.8475 -0.4879  1.8739
+  538SOL     OW 1612   0.552   0.998   1.567 -0.2277  0.2467 -0.0751
+  538SOL    HW1 1613   0.514   1.067   1.621 -1.9512 -0.4126 -0.4480
+  538SOL    HW2 1614   0.565   0.924   1.627  1.2050  0.7410  0.2268
+  539SOL     OW 1615   2.949   2.232   0.495  0.5030  0.2530  0.4330
+  539SOL    HW1 1616   3.029   2.234   0.548 -0.0249 -0.8151  1.2659
+  539SOL    HW2 1617   2.881   2.204   0.556 -0.5020  1.1130 -0.2892
+  540SOL     OW 1618   1.735   0.043   1.184  0.0227  0.0588  0.1645
+  540SOL    HW1 1619   1.655   0.082   1.148  0.5297  0.8514 -0.1231
+  540SOL    HW2 1620   1.767  -0.014   1.114  0.5856  0.9941 -0.3363
+  541SOL     OW 1621   1.009   0.273   0.821  0.3595 -0.7763 -0.2490
+  541SOL    HW1 1622   1.066   0.224   0.762 -1.0908 -0.6129 -1.7547
+  541SOL    HW2 1623   1.041   0.363   0.815 -0.1739 -0.6550 -1.2223
+  542SOL     OW 1624   2.064   0.711   2.960 -0.2626 -0.3712 -0.2104
+  542SOL    HW1 1625   2.146   0.711   3.011 -0.4185  2.6237  0.0284
+  542SOL    HW2 1626   1.997   0.733   3.024 -1.2317 -2.4707 -0.4928
+  543SOL     OW 1627   0.837   2.223   2.034 -0.1359  0.0281  0.7132
+  543SOL    HW1 1628   0.816   2.258   2.120  0.3121 -1.6619  1.5178
+  543SOL    HW2 1629   0.910   2.163   2.049 -0.5703 -0.8706 -0.7065
+  544SOL     OW 1630   2.835   2.502   0.505  0.1773  0.2237  0.2537
+  544SOL    HW1 1631   2.839   2.409   0.483 -0.7268  0.2524 -0.0113
+  544SOL    HW2 1632   2.925   2.533   0.492  0.9082 -1.0389  2.2200
+  545SOL     OW 1633   1.141   1.021   2.134 -0.3213 -0.0122  0.2659
+  545SOL    HW1 1634   1.182   1.033   2.220 -1.2528 -2.6735  1.0925
+  545SOL    HW2 1635   1.047   1.016   2.154 -0.6469  0.9174 -1.0714
+  546SOL     OW 1636   2.577   1.078   0.826  0.1208 -0.1679 -0.1935
+  546SOL    HW1 1637   2.601   0.987   0.840 -0.1093  0.0486  1.5341
+  546SOL    HW2 1638   2.588   1.091   0.731  3.3387 -1.0715  0.0377
+  547SOL     OW 1639   1.083   2.104   2.660 -0.7669  0.2527 -0.4466
+  547SOL    HW1 1640   1.097   2.177   2.720 -0.1865 -0.0998 -0.1555
+  547SOL    HW2 1641   1.062   2.146   2.576  0.8878  0.7691 -0.6060
+  548SOL     OW 1642   2.904   2.320   1.210  0.5362 -0.4184 -0.1079
+  548SOL    HW1 1643   2.975   2.383   1.217  0.8059 -0.8022  0.6755
+  548SOL    HW2 1644   2.934   2.244   1.261  0.5487 -1.4785 -1.6845
+  549SOL     OW 1645   2.488   2.230   0.401  0.9333  0.4941 -0.3483
+  549SOL    HW1 1646   2.474   2.227   0.496 -0.3533 -0.4547 -0.5554
+  549SOL    HW2 1647   2.534   2.312   0.386  0.1850  1.1652  0.9912
+  550SOL     OW 1648   0.165   0.760   0.603  0.1196 -0.0135  0.2576
+  550SOL    HW1 1649   0.172   0.694   0.534 -2.5432  0.2246 -0.2473
+  550SOL    HW2 1650   0.164   0.843   0.555  0.6488  0.2528  0.7179
+  551SOL     OW 1651   2.876   1.742   2.116  0.1088  0.0096 -0.0103
+  551SOL    HW1 1652   2.890   1.665   2.171 -0.5702 -2.0550 -2.6992
+  551SOL    HW2 1653   2.939   1.806   2.147  0.7910 -1.7114  2.1252
+  552SOL     OW 1654   1.800   0.821   0.397  0.5737  0.4884  0.1863
+  552SOL    HW1 1655   1.762   0.758   0.458  1.0887 -0.0706 -0.0668
+  552SOL    HW2 1656   1.863   0.870   0.448  0.2517  0.7266  0.3568
+  553SOL     OW 1657   0.955   0.892   2.779 -0.1442 -0.1660  0.6634
+  553SOL    HW1 1658   0.939   0.986   2.770 -0.3585 -0.3246 -0.6837
+  553SOL    HW2 1659   1.002   0.883   2.861 -1.6590  0.9480  1.6551
+  554SOL     OW 1660   1.992   2.077   1.774  0.4842  0.2867 -0.2964
+  554SOL    HW1 1661   2.016   2.097   1.684  1.5856  1.5447  0.2759
+  554SOL    HW2 1662   2.051   2.006   1.799  1.0057  0.7690 -0.1612
+  555SOL     OW 1663   1.828   1.786   2.192 -0.2904 -0.0092 -0.9713
+  555SOL    HW1 1664   1.871   1.769   2.276 -1.0304 -0.1983 -0.6329
+  555SOL    HW2 1665   1.776   1.865   2.207  2.3620  1.9703 -2.2627
+  556SOL     OW 1666   0.808   0.583   0.114 -0.7108 -0.3554  0.6717
+  556SOL    HW1 1667   0.855   0.562   0.195 -1.7596 -1.0237  1.1055
+  556SOL    HW2 1668   0.790   0.677   0.121  0.1976 -0.1822  0.6950
+  557SOL     OW 1669   2.903   1.809   0.144  0.5733  0.9137 -0.2703
+  557SOL    HW1 1670   2.832   1.758   0.104 -1.2993  2.0306  1.6417
+  557SOL    HW2 1671   2.917   1.882   0.084 -0.3244  1.0457 -0.3148
+  558SOL     OW 1672   1.587   1.766   0.815 -0.0900  1.2862 -0.0808
+  558SOL    HW1 1673   1.674   1.804   0.811  0.4378 -0.1335 -2.1161
+  558SOL    HW2 1674   1.533   1.823   0.761 -0.2387  1.6460  0.4436
+  559SOL     OW 1675   0.805   0.712   1.347 -0.6140 -0.1327 -0.2832
+  559SOL    HW1 1676   0.878   0.737   1.404 -0.1107 -0.3819 -0.8149
+  559SOL    HW2 1677   0.748   0.658   1.402 -0.8130  0.7447  0.3637
+  560SOL     OW 1678   2.802   2.172   1.516 -0.8342  0.3518 -0.0597
+  560SOL    HW1 1679   2.860   2.209   1.583 -2.7528 -0.8570  2.2504
+  560SOL    HW2 1680   2.855   2.105   1.473 -0.0896  0.1936  1.1257
+  561SOL     OW 1681   0.426   0.984   0.958  0.3212  0.8909 -0.3853
+  561SOL    HW1 1682   0.336   0.972   0.988 -0.1900  2.9908 -1.0969
+  561SOL    HW2 1683   0.478   0.984   1.038 -0.1055 -2.1335 -0.0925
+  562SOL     OW 1684   0.283   2.648   2.942 -0.2844 -0.1491  0.1590
+  562SOL    HW1 1685   0.359   2.642   2.884 -0.1767  0.9457  0.1859
+  562SOL    HW2 1686   0.282   2.739   2.971 -0.6333 -0.5741  1.4856
+  563SOL     OW 1687   0.915   2.392   2.601 -0.2609  0.0208 -0.2048
+  563SOL    HW1 1688   0.923   2.324   2.534 -1.2507  0.4015 -0.7153
+  563SOL    HW2 1689   0.966   2.466   2.567 -2.0159  0.7551 -1.2450
+  564SOL     OW 1690   0.609   1.101   2.239  0.0697 -0.2942 -0.2948
+  564SOL    HW1 1691   0.664   1.057   2.175  0.0870  1.3172 -1.3932
+  564SOL    HW2 1692   0.536   1.136   2.188 -0.3167  0.3056  0.6707
+  565SOL     OW 1693   2.372   2.700   2.973  0.5374 -0.3717 -0.0621
+  565SOL    HW1 1694   2.283   2.736   2.971  0.5019 -0.3802  1.5158
+  565SOL    HW2 1695   2.420   2.752   2.908 -0.0743  1.0218  0.6017
+  566SOL     OW 1696   1.463   1.752   1.553 -0.0283  0.4846  0.0849
+  566SOL    HW1 1697   1.496   1.675   1.600  0.2717  0.2488 -0.5104
+  566SOL    HW2 1698   1.538   1.781   1.500 -0.0945  1.2729  0.4183
+  567SOL     OW 1699   0.875   0.196   2.218 -0.3101 -0.4592 -0.0876
+  567SOL    HW1 1700   0.960   0.166   2.187  0.9817  4.6199 -1.5116
+  567SOL    HW2 1701   0.817   0.188   2.142 -0.2633 -0.6081 -0.1060
+  568SOL     OW 1702   2.604   0.012   0.514 -0.7666 -0.0467  0.5935
+  568SOL    HW1 1703   2.687   0.054   0.536 -1.3170  1.1977  0.3422
+  568SOL    HW2 1704   2.606   0.003   0.419 -0.9875  0.1421  0.5698
+  569SOL     OW 1705   0.163   1.098   2.268  0.2405  0.3001  0.2166
+  569SOL    HW1 1706   0.197   1.048   2.194  0.8056 -3.2294  2.9002
+  569SOL    HW2 1707   0.239   1.114   2.323 -0.9119 -0.4086  2.0052
+  570SOL     OW 1708   2.691   0.988   2.848  0.4840  0.7853 -0.5632
+  570SOL    HW1 1709   2.743   1.063   2.876 -0.4139  0.8982  0.8087
+  570SOL    HW2 1710   2.712   0.919   2.911 -0.2722  0.5310 -0.5802
+  571SOL     OW 1711   0.041   2.111   1.927  0.0421  0.4662 -0.6132
+  571SOL    HW1 1712   0.128   2.140   1.955 -0.8448  1.4763  1.0880
+  571SOL    HW2 1713   0.020   2.038   1.986 -0.9078  1.2057 -0.0323
+  572SOL     OW 1714   1.774   1.264   2.229 -0.2528 -0.4676  0.8914
+  572SOL    HW1 1715   1.798   1.199   2.294  0.3701 -0.7176  0.4084
+  572SOL    HW2 1716   1.822   1.343   2.255 -0.0479 -0.5516  0.7685
+  573SOL     OW 1717   1.525   0.966   2.712  0.3645 -0.3487  0.2354
+  573SOL    HW1 1718   1.433   0.979   2.692  0.4844 -0.0000 -0.0889
+  573SOL    HW2 1719   1.529   0.881   2.755 -0.1252 -0.3010  0.3651
+  574SOL     OW 1720   1.700   2.290   1.005  0.3283 -0.3802 -0.0944
+  574SOL    HW1 1721   1.636   2.236   1.053 -1.4996  2.4499  0.6225
+  574SOL    HW2 1722   1.698   2.256   0.916 -0.3254 -1.9933  0.5341
+  575SOL     OW 1723   2.053   2.717   1.212  0.1795 -0.8881 -0.0927
+  575SOL    HW1 1724   2.037   2.784   1.277 -0.5194 -0.6592 -0.4951
+  575SOL    HW2 1725   2.136   2.742   1.170 -0.9165  0.6153 -1.3626
+  576SOL     OW 1726   2.516   0.012   1.182 -0.1846 -0.1633  0.2906
+  576SOL    HW1 1727   2.553   0.005   1.094  0.1277  0.7424  0.3375
+  576SOL    HW2 1728   2.429   0.049   1.169 -0.2748 -0.3650  0.3301
+  577SOL     OW 1729   0.445   0.115   2.625  0.0999  0.0093  0.2474
+  577SOL    HW1 1730   0.469   0.146   2.538  3.5813  2.7167  2.1979
+  577SOL    HW2 1731   0.349   0.123   2.627  0.1275  1.1794 -2.8547
+  578SOL     OW 1732   0.569   2.860   2.047  0.3815  0.6083  0.0418
+  578SOL    HW1 1733   0.502   2.799   2.078  2.3539 -1.8357 -0.5318
+  578SOL    HW2 1734   0.529   2.904   1.972 -0.1598 -1.6613 -0.9883
+  579SOL     OW 1735   2.987   2.764   1.806 -0.2661  0.6086 -0.2620
+  579SOL    HW1 1736   2.951   2.724   1.886 -1.8010  1.3579 -0.5837
+  579SOL    HW2 1737   3.081   2.770   1.824 -0.1883 -2.0539  0.2591
+  580SOL     OW 1738   2.142   0.199   2.578  0.3050  0.3565 -0.0003
+  580SOL    HW1 1739   2.071   0.221   2.517  0.1817 -0.7287 -0.2447
+  580SOL    HW2 1740   2.106   0.219   2.664 -0.1545  0.1707 -0.1503
+  581SOL     OW 1741   2.451   2.917   2.494 -0.2869 -0.2269 -0.2927
+  581SOL    HW1 1742   2.398   2.938   2.571  2.0036  2.1696  0.6168
+  581SOL    HW2 1743   2.398   2.946   2.420 -1.4494 -0.3521  0.4821
+  582SOL     OW 1744   0.280   0.706   2.346  0.1527 -0.2810 -0.2076
+  582SOL    HW1 1745   0.364   0.713   2.302  0.9409  0.0840  1.3553
+  582SOL    HW2 1746   0.280   0.619   2.386  0.3267  0.2068  0.8749
+  583SOL     OW 1747   0.967   1.024   0.155 -0.5091 -0.2352  0.4199
+  583SOL    HW1 1748   1.031   0.972   0.107 -0.5926  0.5100 -0.5195
+  583SOL    HW2 1749   1.014   1.057   0.231 -0.2483 -1.0683  0.6147
+  584SOL     OW 1750   1.877   0.731   2.757 -0.7023  0.5924  0.6161
+  584SOL    HW1 1751   1.948   0.727   2.821  0.2572  1.5482 -0.3907
+  584SOL    HW2 1752   1.810   0.785   2.798 -0.1209  1.1295  0.8623
+  585SOL     OW 1753   1.274   1.782   0.792 -0.6871  0.4263 -0.1950
+  585SOL    HW1 1754   1.261   1.687   0.788  0.2125  0.2642  0.7631
+  585SOL    HW2 1755   1.213   1.812   0.858  0.1477  0.3114  0.6338
+  586SOL     OW 1756   0.950   1.462   2.967  0.4608 -0.5825  0.5535
+  586SOL    HW1 1757   0.973   1.402   3.039  1.6219 -1.1177 -0.2750
+  586SOL    HW2 1758   1.029   1.468   2.914 -0.1565  0.4449 -0.2490
+  587SOL     OW 1759   1.901   1.100   2.401 -0.0860  0.9924 -0.2193
+  587SOL    HW1 1760   1.994   1.117   2.416  0.6948 -0.7086 -3.0398
+  587SOL    HW2 1761   1.874   1.047   2.475  1.0388  2.0135  0.9336
+  588SOL     OW 1762   1.416   0.339   1.666 -0.1365 -0.0662  0.4868
+  588SOL    HW1 1763   1.381   0.250   1.664 -1.3985  0.4347  0.3438
+  588SOL    HW2 1764   1.452   0.349   1.754 -0.9509 -0.3436  0.8512
+  589SOL     OW 1765   2.497   1.585   1.670  0.5740 -0.6659  0.3429
+  589SOL    HW1 1766   2.533   1.670   1.644 -2.5632  1.6071  3.5112
+  589SOL    HW2 1767   2.552   1.556   1.742  2.1117 -1.6775 -1.2320
+  590SOL     OW 1768   1.079   0.111   2.658  0.3089 -0.4157 -0.8026
+  590SOL    HW1 1769   1.158   0.061   2.636 -0.5999 -1.9373 -0.6174
+  590SOL    HW2 1770   1.087   0.129   2.751  0.2018 -0.9740 -0.6866
+  591SOL     OW 1771   2.883   0.012   1.099  0.0593  0.6845  0.8889
+  591SOL    HW1 1772   2.959   0.045   1.052 -0.3946 -0.7645 -0.8646
+  591SOL    HW2 1773   2.826   0.088   1.111  1.4632  1.6147  1.5583
+  592SOL     OW 1774   1.634   2.722   0.249 -0.2138 -0.9598  0.3556
+  592SOL    HW1 1775   1.576   2.739   0.323 -0.8331  0.3200 -0.4387
+  592SOL    HW2 1776   1.664   2.808   0.221 -0.6935 -1.3877 -1.4688
+  593SOL     OW 1777   2.657   1.337   1.568  0.1401  0.0759  0.0480
+  593SOL    HW1 1778   2.600   1.410   1.542 -1.5537 -1.3194 -0.1321
+  593SOL    HW2 1779   2.641   1.326   1.661  0.1218 -0.3163 -0.0013
+  594SOL     OW 1780   0.653   0.374   0.161  0.2976 -0.1299  0.0620
+  594SOL    HW1 1781   0.610   0.321   0.094 -0.1598 -1.2308  1.2259
+  594SOL    HW2 1782   0.683   0.452   0.115  1.7797 -1.8319 -1.8375
+  595SOL     OW 1783   2.987   1.178   0.277  0.4811  0.5404  0.1690
+  595SOL    HW1 1784   3.062   1.238   0.273 -0.5125  1.6267 -2.1210
+  595SOL    HW2 1785   2.913   1.234   0.299 -0.0171 -0.2177  0.4073
+  596SOL     OW 1786   0.287   2.667   0.337 -0.2073  0.0772 -0.5874
+  596SOL    HW1 1787   0.320   2.579   0.322 -0.4970 -0.2957  0.9388
+  596SOL    HW2 1788   0.207   2.655   0.388 -0.9129  1.1563 -1.4089
+  597SOL     OW 1789   0.300   0.314   2.042  0.1317  0.4780  0.0948
+  597SOL    HW1 1790   0.326   0.249   1.977  1.5891  0.2139  0.9385
+  597SOL    HW2 1791   0.234   0.368   1.998  2.1028  1.1487 -2.0355
+  598SOL     OW 1792   0.312   2.302   0.223 -0.2418 -0.2705  0.5273
+  598SOL    HW1 1793   0.341   2.249   0.148 -0.4379 -0.8839  0.8848
+  598SOL    HW2 1794   0.381   2.367   0.235  0.2066 -0.7177  0.3544
+  599SOL     OW 1795   1.257   1.424   2.496 -0.1915 -0.1473  0.0702
+  599SOL    HW1 1796   1.340   1.382   2.517 -0.6930 -0.2414  1.8357
+  599SOL    HW2 1797   1.240   1.398   2.405  2.5707  1.2850 -0.8886
+  600SOL     OW 1798   0.765   2.699   0.976 -0.1477 -0.0562 -0.6017
+  600SOL    HW1 1799   0.715   2.777   1.002  3.2538  1.4041  1.5720
+  600SOL    HW2 1800   0.777   2.710   0.881 -0.2429  1.7596 -0.4180
+  601SOL     OW 1801   2.997   0.043   2.949 -0.1436 -0.0762 -0.1958
+  601SOL    HW1 1802   2.910   0.022   2.984 -0.2858  2.0206  0.7459
+  601SOL    HW2 1803   3.034   0.104   3.013  1.2073  0.5953 -1.6183
+  602SOL     OW 1804   3.008   1.288   2.110  0.0133 -0.2473 -0.4904
+  602SOL    HW1 1805   3.058   1.232   2.170 -2.4734  0.3498  2.1314
+  602SOL    HW2 1806   2.920   1.249   2.108 -1.2353  2.5520 -0.0091
+  603SOL     OW 1807   0.847   1.942   0.455 -0.7575 -0.2541  0.2081
+  603SOL    HW1 1808   0.798   1.861   0.463 -0.3078 -0.6004 -0.4837
+  603SOL    HW2 1809   0.864   1.950   0.361 -1.1539  0.8468  0.2326
+  604SOL     OW 1810   2.645   2.361   1.197  0.0258 -0.3134  0.4274
+  604SOL    HW1 1811   2.645   2.376   1.291  0.4707 -0.8516  0.5113
+  604SOL    HW2 1812   2.736   2.342   1.175  0.3326  2.2036 -0.4838
+  605SOL     OW 1813   1.635   2.923   0.619 -0.3911 -0.2632 -0.1423
+  605SOL    HW1 1814   1.593   2.925   0.705 -2.2722  0.1022 -1.0786
+  605SOL    HW2 1815   1.714   2.870   0.633 -0.3500  0.3496  1.9585
+  606SOL     OW 1816   0.230   0.207   1.533  0.1947 -0.3736 -0.0442
+  606SOL    HW1 1817   0.205   0.261   1.609  1.7361  1.4213 -0.8323
+  606SOL    HW2 1818   0.293   0.145   1.569  0.1858 -0.1626  0.3465
+  607SOL     OW 1819   1.044   0.993   2.413 -0.2483 -0.0547  0.3037
+  607SOL    HW1 1820   0.983   1.002   2.339 -0.1594 -1.8484 -0.0071
+  607SOL    HW2 1821   1.121   1.043   2.387 -0.5624  0.0337 -0.4680
+  608SOL     OW 1822   1.623   1.241   1.281 -0.0264 -0.3672  0.0999
+  608SOL    HW1 1823   1.637   1.283   1.367  1.0827  1.1441 -0.8109
+  608SOL    HW2 1824   1.528   1.245   1.268 -0.0073  1.1443  0.3821
+  609SOL     OW 1825   0.768   1.439   1.300 -0.2400 -0.7603  0.1714
+  609SOL    HW1 1826   0.803   1.356   1.270 -1.1478 -0.4831 -1.6127
+  609SOL    HW2 1827   0.673   1.431   1.288 -0.0476  1.6651 -2.7013
+  610SOL     OW 1828   0.306   0.462   2.477 -0.0424 -0.1922  0.5725
+  610SOL    HW1 1829   0.399   0.476   2.494  0.2542 -0.4403 -0.8730
+  610SOL    HW2 1830   0.296   0.367   2.474  0.2642 -0.1135 -2.7002
+  611SOL     OW 1831   1.569   0.868   1.958  0.6661 -0.5274  0.6670
+  611SOL    HW1 1832   1.617   0.899   1.882 -1.6530  0.3660 -0.4188
+  611SOL    HW2 1833   1.583   0.773   1.957  1.1288 -0.4489 -0.5201
+  612SOL     OW 1834   1.662   0.965   0.803 -0.2395 -0.0012 -0.2270
+  612SOL    HW1 1835   1.624   0.930   0.884  0.2454 -0.0846 -0.0375
+  612SOL    HW2 1836   1.739   0.911   0.787 -0.1677  0.2062 -0.5901
+  613SOL     OW 1837   2.454   0.792   0.586  1.1724  0.5905 -0.0556
+  613SOL    HW1 1838   2.396   0.845   0.639  1.4028  0.0695  0.7100
+  613SOL    HW2 1839   2.529   0.773   0.643  0.2511 -2.0954  0.2693
+  614SOL     OW 1840   2.875   0.770   2.620 -0.3008 -0.4084  0.9604
+  614SOL    HW1 1841   2.893   0.710   2.692  0.5929 -2.2221 -0.7470
+  614SOL    HW2 1842   2.952   0.762   2.563  0.2729  3.0970  1.2213
+  615SOL     OW 1843   1.093   0.036   0.680 -0.2581 -0.6707 -0.0588
+  615SOL    HW1 1844   1.126  -0.051   0.661 -0.4348 -0.6830 -0.3109
+  615SOL    HW2 1845   0.998   0.029   0.672 -0.2674 -0.4314 -0.1880
+  616SOL     OW 1846   2.691   2.493   0.108  0.5137 -0.5225 -0.4023
+  616SOL    HW1 1847   2.636   2.415   0.102  0.4363 -0.4812 -0.2049
+  616SOL    HW2 1848   2.634   2.565   0.079  0.5070 -0.5009 -0.3354
+  617SOL     OW 1849   1.192   2.799   1.984 -0.2666 -0.2739 -0.0050
+  617SOL    HW1 1850   1.108   2.753   1.988 -1.0844  1.2713  0.5110
+  617SOL    HW2 1851   1.222   2.803   2.075 -0.6069  0.9569  0.0600
+  618SOL     OW 1852   0.680   1.526   2.390 -0.0170 -0.6356  0.4432
+  618SOL    HW1 1853   0.674   1.514   2.295  3.1169 -1.1868  0.3006
+  618SOL    HW2 1854   0.654   1.442   2.427  0.7970 -1.0785  0.0148
+  619SOL     OW 1855   1.452   2.318   0.570  0.2213 -0.3217  0.4040
+  619SOL    HW1 1856   1.448   2.330   0.665 -1.4491  2.5888 -0.0240
+  619SOL    HW2 1857   1.385   2.252   0.551 -0.3411  0.0513  1.0995
+  620SOL     OW 1858   2.091   0.709   0.657  0.5190 -0.3210 -0.2337
+  620SOL    HW1 1859   2.178   0.704   0.697 -0.0129 -0.2619  0.9212
+  620SOL    HW2 1860   2.053   0.622   0.669  0.4926 -0.3996 -0.8971
+  621SOL     OW 1861   1.030   2.615   0.980  0.1767 -0.5077  0.1781
+  621SOL    HW1 1862   1.054   2.596   0.889  0.0140  1.6735 -0.3122
+  621SOL    HW2 1863   0.934   2.612   0.980  0.1600  0.0956  0.1565
+  622SOL     OW 1864   1.426   1.740   2.626 -0.3550 -0.3340  0.3491
+  622SOL    HW1 1865   1.357   1.789   2.581  0.0936 -0.0344 -0.0040
+  622SOL    HW2 1866   1.459   1.801   2.692 -0.3735 -0.4491  0.4640
+  623SOL     OW 1867   1.569   1.392   0.068  0.3732  0.4368 -0.5465
+  623SOL    HW1 1868   1.634   1.459   0.087  0.3415  1.0383 -2.5106
+  623SOL    HW2 1869   1.486   1.431   0.095  0.7909 -0.1421  1.5106
+  624SOL     OW 1870   0.800   0.950   2.049 -0.2539 -0.8217  0.8142
+  624SOL    HW1 1871   0.864   0.881   2.033  0.8250  0.1007  1.1394
+  624SOL    HW2 1872   0.816   1.014   1.979  0.4603  0.3246  2.0234
+  625SOL     OW 1873   0.055   1.148   0.590 -0.5448  0.4962  0.3800
+  625SOL    HW1 1874  -0.002   1.163   0.514  0.4337 -0.4717 -0.5428
+  625SOL    HW2 1875   0.022   1.067   0.629  1.3076 -0.9865 -1.1563
+  626SOL     OW 1876   1.978   1.703   1.524  0.2663 -0.1907 -0.4754
+  626SOL    HW1 1877   1.957   1.723   1.615  0.0530 -0.2272 -0.5186
+  626SOL    HW2 1878   2.016   1.785   1.489 -0.9975  0.2624 -0.7760
+  627SOL     OW 1879   1.124   0.243   2.903 -0.2465  0.4698 -0.4429
+  627SOL    HW1 1880   1.057   0.238   2.972 -0.0453  1.4176 -0.1795
+  627SOL    HW2 1881   1.151   0.335   2.903  2.5875 -0.3707  0.9196
+  628SOL     OW 1882   2.845   2.038   0.920 -0.0324 -0.7239 -0.1850
+  628SOL    HW1 1883   2.771   2.061   0.978  1.1647 -0.8742  1.4025
+  628SOL    HW2 1884   2.894   1.972   0.969  0.7807 -1.1284 -1.5438
+  629SOL     OW 1885   1.071   0.183   1.324 -0.7599 -0.2342 -0.3543
+  629SOL    HW1 1886   1.032   0.230   1.398 -0.4175 -0.1559 -0.2233
+  629SOL    HW2 1887   1.026   0.218   1.247  0.5734  1.3904 -0.3851
+  630SOL     OW 1888   1.102   2.796   0.093 -0.6693  0.2066 -0.8998
+  630SOL    HW1 1889   1.011   2.803   0.066 -1.1919 -1.9623  0.3305
+  630SOL    HW2 1890   1.147   2.863   0.041 -2.8381  0.8492 -1.9701
+  631SOL     OW 1891   2.446   1.638   0.360 -0.5323  0.0532 -0.0349
+  631SOL    HW1 1892   2.540   1.650   0.351 -0.8293  1.4390 -1.3152
+  631SOL    HW2 1893   2.436   1.557   0.411  1.3429  0.1244  0.4273
+  632SOL     OW 1894   2.729   0.211   1.251 -0.3153 -0.3868 -0.2436
+  632SOL    HW1 1895   2.694   0.128   1.285 -1.6786 -0.0763 -0.8698
+  632SOL    HW2 1896   2.765   0.255   1.327 -2.8521  0.0621  0.6965
+  633SOL     OW 1897  -0.022   2.891   0.454  0.1265  0.3620 -0.5111
+  633SOL    HW1 1898   0.003   2.883   0.362 -0.3847  0.8567 -0.6900
+  633SOL    HW2 1899   0.024   2.969   0.485  1.7178 -0.8152  0.1222
+  634SOL     OW 1900   2.415   1.936   1.949  0.5605 -0.4299 -0.2472
+  634SOL    HW1 1901   2.485   1.880   1.913  1.3247 -0.1316  0.7640
+  634SOL    HW2 1902   2.449   1.964   2.034 -1.3943 -1.4033  0.8399
+  635SOL     OW 1903   0.442   1.355   1.719  0.5351  0.3652  0.1929
+  635SOL    HW1 1904   0.498   1.374   1.794  1.3656  1.7559 -0.7753
+  635SOL    HW2 1905   0.503   1.338   1.647 -0.2650  0.2251 -0.4574
+  636SOL     OW 1906   0.350   1.785   2.396  0.5575 -0.0776  0.0435
+  636SOL    HW1 1907   0.295   1.851   2.439  1.1694  0.5127 -0.0842
+  636SOL    HW2 1908   0.328   1.703   2.440 -2.6872 -0.3608 -2.0892
+  637SOL     OW 1909   0.225   2.289   2.384  0.1316  0.2124 -0.3757
+  637SOL    HW1 1910   0.247   2.213   2.438  0.2043  0.9903  0.6746
+  637SOL    HW2 1911   0.137   2.270   2.352 -0.3245  0.2343  0.8525
+  638SOL     OW 1912   0.052   2.813   2.812  0.2174 -0.1258 -0.5463
+  638SOL    HW1 1913   0.004   2.869   2.874 -0.8778 -2.1129  0.4179
+  638SOL    HW2 1914  -0.002   2.734   2.805  2.2990 -1.4940 -1.0804
+  639SOL     OW 1915   1.609   2.051   0.122 -0.0885  0.7996 -0.7406
+  639SOL    HW1 1916   1.636   2.142   0.110 -0.4631  1.0710  0.4251
+  639SOL    HW2 1917   1.576   2.048   0.212 -2.4422  0.1072 -1.6314
+  640SOL     OW 1918   0.809   2.507   1.773  0.8820  0.2983  0.9161
+  640SOL    HW1 1919   0.806   2.560   1.693  1.9147  0.7951  1.2034
+  640SOL    HW2 1920   0.861   2.431   1.750  0.8504  0.2490  1.0061
+  641SOL     OW 1921   2.359   2.452   3.022 -0.1350  0.3331 -0.4659
+  641SOL    HW1 1922   2.365   2.545   3.002 -2.4890  0.3694 -1.0127
+  641SOL    HW2 1923   2.396   2.408   2.945 -0.2243  0.7788 -0.7640
+  642SOL     OW 1924   1.899   1.005   1.781 -0.3712 -0.7133 -0.4354
+  642SOL    HW1 1925   1.943   0.921   1.788  1.1896 -0.0111 -1.7119
+  642SOL    HW2 1926   1.935   1.057   1.852 -0.6695 -0.8330 -0.1986
+  643SOL     OW 1927   1.268  -0.025   2.986 -0.0532  0.1317 -0.7383
+  643SOL    HW1 1928   1.348   0.021   3.011 -0.3732  0.2908 -0.0129
+  643SOL    HW2 1929   1.215   0.041   2.941 -1.2052  0.8930  1.7316
+  644SOL     OW 1930   1.100   1.849   1.040  0.2867 -0.3807 -0.3101
+  644SOL    HW1 1931   1.028   1.911   1.034  0.4476 -0.2619 -1.0373
+  644SOL    HW2 1932   1.068   1.781   1.099 -0.0171  0.2172  0.2155
+  645SOL     OW 1933   2.969   0.773   1.796 -0.1417 -0.3516  0.1664
+  645SOL    HW1 1934   2.894   0.801   1.848  0.9072  1.2371  0.8319
+  645SOL    HW2 1935   3.045   0.791   1.851  0.6347 -3.1602 -0.0005
+  646SOL     OW 1936   0.302   2.090   2.540  0.4677  0.3832  0.0672
+  646SOL    HW1 1937   0.274   2.008   2.581 -3.3157  1.6469 -0.0013
+  646SOL    HW2 1938   0.327   2.146   2.614  0.1042  0.2665  0.2793
+  647SOL     OW 1939   0.630   1.795   2.294  0.0443  0.5757  0.3880
+  647SOL    HW1 1940   0.672   1.710   2.302 -1.3282  0.0365  1.7012
+  647SOL    HW2 1941   0.536   1.777   2.297 -0.2609  1.9989 -0.5007
+  648SOL     OW 1942   0.120   0.216   0.102 -0.0285 -0.6049 -0.5802
+  648SOL    HW1 1943   0.103   0.311   0.101  1.6668 -0.3156 -0.8414
+  648SOL    HW2 1944   0.177   0.203   0.178 -2.4660 -1.7816  1.0541
+  649SOL     OW 1945   1.468   1.367   1.504  0.6475  0.2529  0.1781
+  649SOL    HW1 1946   1.527   1.415   1.562  0.5186 -1.1632  1.4816
+  649SOL    HW2 1947   1.413   1.315   1.562 -1.4377  1.0645 -1.0876
+  650SOL     OW 1948   1.645   0.990   1.714  0.0678  1.1828  0.3922
+  650SOL    HW1 1949   1.623   1.082   1.728 -0.9320  0.6430  2.2574
+  650SOL    HW2 1950   1.732   0.980   1.751  0.0280  1.2945  0.5166
+  651SOL     OW 1951   1.787   0.924   2.945  0.4236 -0.5346  0.0424
+  651SOL    HW1 1952   1.727   0.893   3.013  1.9867 -0.7520  1.3041
+  651SOL    HW2 1953   1.845   0.985   2.989  3.3517 -2.9640 -0.4774
+  652SOL     OW 1954   0.737   1.320   0.867 -0.2702  0.4419  0.3073
+  652SOL    HW1 1955   0.779   1.388   0.919  0.4523 -0.3623  0.7892
+  652SOL    HW2 1956   0.756   1.239   0.914  0.3342 -0.2777 -1.1757
+  653SOL     OW 1957   1.052   0.766   1.564  0.0601  0.0425 -0.1303
+  653SOL    HW1 1958   1.111   0.691   1.551  0.1807  0.3192 -1.1573
+  653SOL    HW2 1959   1.059   0.816   1.483  0.4726  1.5169  0.8161
+  654SOL     OW 1960   2.124   2.023   2.822 -0.0432  0.5764 -0.2770
+  654SOL    HW1 1961   2.061   2.057   2.759 -0.8675  0.4722  0.4973
+  654SOL    HW2 1962   2.208   2.025   2.775 -0.3245  2.3919 -0.6878
+  655SOL     OW 1963   0.030   0.953   2.800 -0.5668  0.2846  0.1607
+  655SOL    HW1 1964   0.041   0.891   2.872 -0.2373 -0.1570 -0.2727
+  655SOL    HW2 1965  -0.008   0.901   2.729  0.5772  0.3726 -0.5082
+  656SOL     OW 1966   2.993   1.286   2.784 -0.6442 -0.2810 -0.2436
+  656SOL    HW1 1967   2.916   1.281   2.842 -0.0876 -2.2354  0.3317
+  656SOL    HW2 1968   2.957   1.284   2.696 -1.3149 -0.4064  0.0318
+  657SOL     OW 1969   1.370   0.225   0.193  0.1905  0.2621  0.0413
+  657SOL    HW1 1970   1.419   0.254   0.270 -0.5583  1.6717 -0.0203
+  657SOL    HW2 1971   1.351   0.306   0.145  2.2988 -0.7913 -2.5630
+  658SOL     OW 1972   2.947   0.070   2.688  0.2855 -0.3928  0.1435
+  658SOL    HW1 1973   3.010  -0.001   2.703  1.3360  0.5818  0.3252
+  658SOL    HW2 1974   2.933   0.109   2.774 -0.5639 -0.5990  0.1034
+  659SOL     OW 1975   0.114   2.637   1.502 -0.2024 -0.3200 -0.0121
+  659SOL    HW1 1976   0.123   2.606   1.592 -2.1404 -1.4118 -0.2090
+  659SOL    HW2 1977   0.025   2.671   1.496 -0.2200 -0.6131 -1.6393
+  660SOL     OW 1978   2.818   0.362   2.058 -0.2865  0.2292 -0.3621
+  660SOL    HW1 1979   2.775   0.276   2.061 -1.0315  0.7299  3.0577
+  660SOL    HW2 1980   2.798   0.402   2.142 -0.1026  3.8786 -2.0622
+  661SOL     OW 1981   2.264   0.930   2.905 -0.1152  0.0508 -0.0559
+  661SOL    HW1 1982   2.209   0.870   2.854  0.5684 -0.8996  0.3062
+  661SOL    HW2 1983   2.350   0.887   2.906  0.4990  1.2800 -0.2079
+  662SOL     OW 1984   0.811   3.006   3.005 -0.4553  0.0377  0.5516
+  662SOL    HW1 1985   0.864   2.931   2.976 -3.0938 -1.9265  0.9068
+  662SOL    HW2 1986   0.780   3.045   2.923  2.0347  1.5611  0.3132
+  663SOL     OW 1987   1.279   0.041   1.237  0.2437 -0.0423 -0.0516
+  663SOL    HW1 1988   1.205   0.076   1.287 -0.4226  2.0200 -2.4646
+  663SOL    HW2 1989   1.240  -0.019   1.174  0.5624  1.5069 -1.7315
+  664SOL     OW 1990   0.693   0.754   2.842  0.0937  0.2726 -0.3281
+  664SOL    HW1 1991   0.708   0.761   2.937  0.4825  2.4576 -0.5476
+  664SOL    HW2 1992   0.772   0.789   2.802 -0.3920  0.0764 -1.4573
+  665SOL     OW 1993   1.397   0.439   3.018 -0.1863  0.9145  0.5552
+  665SOL    HW1 1994   1.401   0.397   2.931 -2.2523  1.8721  0.0104
+  665SOL    HW2 1995   1.483   0.480   3.027 -0.0128  0.9478 -1.1065
+  666SOL     OW 1996   0.618   1.771   2.569  1.2969  0.2947 -0.2809
+  666SOL    HW1 1997   0.697   1.763   2.515  1.2535  1.1698 -0.4786
+  666SOL    HW2 1998   0.570   1.690   2.553 -0.5069  2.1946 -4.4244
+  667SOL     OW 1999   0.125   2.468   2.000  0.0555  0.4812  0.2889
+  667SOL    HW1 2000   0.181   2.460   1.923  1.8965 -0.5947  1.7358
+  667SOL    HW2 2001   0.095   2.379   2.017 -1.1957  0.8895  0.1666
+  668SOL     OW 2002   2.559   2.065   1.034  0.2415  0.0919  0.5724
+  668SOL    HW1 2003   2.487   2.003   1.043  1.6863 -1.5775  0.7367
+  668SOL    HW2 2004   2.543   2.132   1.100 -1.6188  0.1792  0.0249
+  669SOL     OW 2005   0.783   2.425   1.117  0.5996 -0.0687 -0.1636
+  669SOL    HW1 2006   0.759   2.516   1.101  0.4127 -0.5655 -2.6365
+  669SOL    HW2 2007   0.723   2.374   1.062  1.9389 -1.6122 -0.1940
+  670SOL     OW 2008   1.640   0.594   1.918  0.5760  0.3715  0.0115
+  670SOL    HW1 2009   1.587   0.526   1.876  0.4050  0.7576 -0.3979
+  670SOL    HW2 2010   1.679   0.550   1.995 -0.7005  0.2105  0.5704
+  671SOL     OW 2011   0.465   1.459   1.440  0.3233 -0.5403  0.3805
+  671SOL    HW1 2012   0.533   1.509   1.485  0.6468 -1.9936  1.5144
+  671SOL    HW2 2013   0.395   1.522   1.423  1.1982  0.5445  0.8375
+  672SOL     OW 2014   0.409  -0.019   1.839  0.2652 -0.6541 -0.9026
+  672SOL    HW1 2015   0.435   0.069   1.812  0.5870 -0.5446 -0.2288
+  672SOL    HW2 2016   0.316  -0.011   1.860  0.3487 -0.4152 -0.6139
+  673SOL     OW 2017   1.062   2.486   2.018 -0.5153  0.2755  0.0109
+  673SOL    HW1 2018   1.079   2.516   1.929 -3.2740 -1.4832 -1.1228
+  673SOL    HW2 2019   0.972   2.514   2.036  1.0411  3.1763  3.2916
+  674SOL     OW 2020   2.489   0.940   2.332  0.2961  0.3399 -0.1832
+  674SOL    HW1 2021   2.450   0.853   2.323  0.0811  0.4812 -0.6220
+  674SOL    HW2 2022   2.475   0.963   2.424  1.5006 -0.6311  0.2440
+  675SOL     OW 2023   2.016   1.513   1.980  0.0264 -0.3996 -0.5805
+  675SOL    HW1 2024   2.037   1.456   2.053 -0.9420 -0.4792 -0.3736
+  675SOL    HW2 2025   2.093   1.508   1.923  0.4907 -0.8617  0.0915
+  676SOL     OW 2026   1.103   2.111   2.001  0.1966  0.3158  0.1354
+  676SOL    HW1 2027   1.152   2.192   1.988  1.2614 -0.5312 -1.0505
+  676SOL    HW2 2028   1.157   2.060   2.061  0.5877 -0.4666 -0.8862
+  677SOL     OW 2029   0.652   0.486   2.424  0.6110 -0.5398 -0.3369
+  677SOL    HW1 2030   0.741   0.465   2.453  0.6039  1.4860  1.1085
+  677SOL    HW2 2031   0.608   0.519   2.502 -0.1911  2.3043 -1.9932
+  678SOL     OW 2032   1.109   0.807  -0.011  0.4152 -0.0413 -0.3596
+  678SOL    HW1 2033   1.109   0.711  -0.016  0.1256 -0.0189 -0.7953
+  678SOL    HW2 2034   1.190   0.828   0.034  1.2189 -0.4214 -1.6147
+  679SOL     OW 2035   0.472   2.814   2.485 -0.9505 -0.3606  0.1131
+  679SOL    HW1 2036   0.550   2.869   2.485 -0.3563 -1.1923 -1.5890
+  679SOL    HW2 2037   0.404   2.868   2.524 -0.2023  1.3542 -0.9774
+  680SOL     OW 2038   0.073   0.697   1.575  0.1101  0.6831 -0.3121
+  680SOL    HW1 2039   0.114   0.767   1.525 -1.5204 -0.2370 -2.9467
+  680SOL    HW2 2040   0.021   0.742   1.642  0.0914  1.9398 -1.1780
+  681SOL     OW 2041   1.014   2.811   1.385  0.6768  0.6987  0.0742
+  681SOL    HW1 2042   0.918   2.816   1.387  0.6772  0.4861  0.6856
+  681SOL    HW2 2043   1.037   2.825   1.294 -0.0582 -1.4799 -0.4329
+  682SOL     OW 2044   1.033   0.297   1.617 -0.1610  0.4301  0.3483
+  682SOL    HW1 2045   0.964   0.289   1.683 -0.1992  0.2846  0.2897
+  682SOL    HW2 2046   1.091   0.223   1.633 -0.6371 -0.0953 -0.3291
+  683SOL     OW 2047   1.181   0.885   0.866 -0.4179  0.0667 -0.2420
+  683SOL    HW1 2048   1.250   0.950   0.852  0.0078  0.3232  3.2030
+  683SOL    HW2 2049   1.111   0.911   0.806  0.5201  2.5631 -0.2432
+  684SOL     OW 2050   2.389   1.407   0.508  1.0070 -0.6874 -0.1618
+  684SOL    HW1 2051   2.424   1.321   0.529 -0.8061 -1.4012 -0.0560
+  684SOL    HW2 2052   2.342   1.433   0.588  1.5839  0.4064 -0.1835
+  685SOL     OW 2053   1.088   1.355   1.770 -0.0361  0.3352  0.0125
+  685SOL    HW1 2054   1.031   1.304   1.828  1.1130  1.5526  2.2031
+  685SOL    HW2 2055   1.035   1.371   1.692 -2.1829  0.1750  1.4383
+  686SOL     OW 2056   2.771   1.012   0.283  0.0429 -0.2571  0.1283
+  686SOL    HW1 2057   2.858   1.044   0.259  1.4381 -3.8575  0.4416
+  686SOL    HW2 2058   2.720   1.018   0.202  1.2836 -0.5938 -0.6761
+  687SOL     OW 2059   0.069   1.802   0.760 -0.5383  0.0951 -0.3074
+  687SOL    HW1 2060   0.024   1.813   0.844 -1.0476 -2.1702 -0.2922
+  687SOL    HW2 2061   0.160   1.823   0.779 -0.8431  0.6286  0.5715
+  688SOL     OW 2062   0.870   2.008   2.214  0.3013 -0.1602 -0.8553
+  688SOL    HW1 2063   0.905   1.920   2.204 -1.5356 -1.0312  0.2023
+  688SOL    HW2 2064   0.777   1.999   2.193 -0.1252  1.2930  0.3888
+  689SOL     OW 2065   2.742   0.574   1.305 -0.3109  0.4574  0.5950
+  689SOL    HW1 2066   2.803   0.641   1.276 -1.0473  0.5400 -0.7504
+  689SOL    HW2 2067   2.791   0.523   1.370  1.0847  0.7229 -0.2609
+  690SOL     OW 2068   2.189   0.519   2.761 -0.0494 -0.4762 -0.0308
+  690SOL    HW1 2069   2.190   0.573   2.839  0.4961 -0.2782 -0.1732
+  690SOL    HW2 2070   2.182   0.581   2.688  1.2257 -0.5480 -0.2268
+  691SOL     OW 2071   1.129   3.016   1.837  0.6733  0.1636 -0.0107
+  691SOL    HW1 2072   1.186   2.958   1.888  0.1745 -0.3753 -0.0639
+  691SOL    HW2 2073   1.042   3.004   1.876 -0.1217 -1.9760 -2.4883
+  692SOL     OW 2074   1.417   2.315   1.365 -0.2905 -0.2515  0.3711
+  692SOL    HW1 2075   1.425   2.410   1.361  0.6490 -0.3390  0.2509
+  692SOL    HW2 2076   1.457   2.291   1.448  1.6025 -0.7697 -0.6766
+  693SOL     OW 2077   1.040   0.248   0.419  0.1110 -0.5315 -0.4889
+  693SOL    HW1 2078   1.086   0.167   0.397 -1.6590 -1.3119 -1.3054
+  693SOL    HW2 2079   1.072   0.271   0.506  1.5729 -1.4126 -0.7897
+  694SOL     OW 2080   2.808   2.679   1.566 -0.2954  0.0169  0.2407
+  694SOL    HW1 2081   2.802   2.713   1.656  0.4961  0.3046  0.1802
+  694SOL    HW2 2082   2.761   2.744   1.513 -2.5182 -1.1780  0.7252
+  695SOL     OW 2083   2.650   1.702   2.877  0.2923 -0.2246 -0.4689
+  695SOL    HW1 2084   2.702   1.651   2.939  0.7565 -0.9100 -1.4104
+  695SOL    HW2 2085   2.585   1.746   2.930  1.7970  0.5732  0.7018
+  696SOL     OW 2086   2.505   0.405   2.061 -0.1562  0.0769 -0.3826
+  696SOL    HW1 2087   2.542   0.483   2.020 -0.4814  1.2784  1.6454
+  696SOL    HW2 2088   2.557   0.393   2.140 -0.6395 -1.3084 -0.2756
+  697SOL     OW 2089   1.729   2.103   1.914 -0.2040 -0.3414 -0.5139
+  697SOL    HW1 2090   1.711   2.034   1.850 -1.1462 -0.8172  0.2796
+  697SOL    HW2 2091   1.823   2.098   1.929 -0.1780 -1.0507 -0.9217
+  698SOL     OW 2092   2.585   0.278   0.282  0.2127 -0.0328  0.5652
+  698SOL    HW1 2093   2.586   0.259   0.376  1.5251  1.0879  0.7804
+  698SOL    HW2 2094   2.662   0.232   0.248 -0.5199 -0.8110 -0.0287
+  699SOL     OW 2095   1.210   0.623   1.177 -0.0722  0.4696 -0.0212
+  699SOL    HW1 2096   1.166   0.539   1.166 -0.3939  0.5852  0.3816
+  699SOL    HW2 2097   1.291   0.603   1.223  0.5169  0.1941 -1.1800
+  700SOL     OW 2098   2.092   1.321   2.677  0.0353 -0.1872 -0.1457
+  700SOL    HW1 2099   2.096   1.307   2.772  1.3393  2.1747  0.1682
+  700SOL    HW2 2100   2.025   1.389   2.666  1.3615  1.0205 -0.7462
+  701SOL     OW 2101   1.740   2.771   1.301  0.1161 -0.1319  0.2676
+  701SOL    HW1 2102   1.654   2.789   1.262 -0.3365  0.0658  1.3349
+  701SOL    HW2 2103   1.719   2.722   1.382  1.1689 -2.7948 -1.0691
+  702SOL     OW 2104   2.765   0.877   2.303  0.2037  0.3119 -0.1814
+  702SOL    HW1 2105   2.686   0.930   2.318 -1.6172 -2.2173 -0.8902
+  702SOL    HW2 2106   2.740   0.789   2.329  2.4523 -0.7088 -1.5149
+  703SOL     OW 2107   1.779   2.725   1.561 -0.0561  0.0007 -0.5555
+  703SOL    HW1 2108   1.823   2.643   1.584  2.2162  1.4201  0.1813
+  703SOL    HW2 2109   1.751   2.761   1.645 -3.7615 -1.5313 -1.1282
+  704SOL     OW 2110   0.864   1.960   1.894  0.3045  0.1569 -0.4512
+  704SOL    HW1 2111   0.843   2.048   1.926  0.0460  0.3294 -1.0914
+  704SOL    HW2 2112   0.901   1.915   1.970 -3.6868 -0.6036  1.0328
+  705SOL     OW 2113   2.329   0.266   2.204  1.0041  0.3576 -0.5415
+  705SOL    HW1 2114   2.389   0.327   2.161 -0.0075  2.1428  0.5407
+  705SOL    HW2 2115   2.326   0.296   2.295 -2.6880  1.2282 -0.9070
+  706SOL     OW 2116   0.934   1.400   2.488 -0.3450 -0.2431  0.2377
+  706SOL    HW1 2117   1.008   1.450   2.454 -0.0265 -0.1805  1.0054
+  706SOL    HW2 2118   0.858   1.458   2.478  0.2663  0.9193  2.4140
+  707SOL     OW 2119   1.069   0.836   1.307  0.8456  0.1201 -0.7123
+  707SOL    HW1 2120   1.084   0.749   1.270 -0.2666 -0.0608 -0.7337
+  707SOL    HW2 2121   0.994   0.870   1.258  0.8875  0.8373 -0.2714
+  708SOL     OW 2122   2.668   1.422   2.107 -0.4945  0.1145  0.1710
+  708SOL    HW1 2123   2.657   1.331   2.134 -0.8720 -0.0114 -0.4103
+  708SOL    HW2 2124   2.744   1.453   2.156  1.5704 -1.4459 -2.0906
+  709SOL     OW 2125   0.857   1.657   1.830  0.3111 -0.5695 -0.2760
+  709SOL    HW1 2126   0.871   1.697   1.744 -0.4484  1.0242  0.3313
+  709SOL    HW2 2127   0.916   1.582   1.832  1.1698  0.0693 -1.7413
+  710SOL     OW 2128   2.843   0.822   1.161  0.1093  0.0784 -0.1416
+  710SOL    HW1 2129   2.857   0.861   1.075  0.1960 -0.1173 -0.2164
+  710SOL    HW2 2130   2.762   0.863   1.193  0.6517  0.9248  0.1356
+  711SOL     OW 2131   1.681   2.099   0.397 -0.1399 -0.8621 -0.2690
+  711SOL    HW1 2132   1.654   2.187   0.421  0.4872 -0.8841  0.5197
+  711SOL    HW2 2133   1.760   2.112   0.344 -0.5467 -0.9050 -0.8907
+  712SOL     OW 2134   2.071   1.953   2.112 -0.0542 -0.2297  0.1765
+  712SOL    HW1 2135   2.006   1.890   2.144  0.5835 -1.8285 -1.6369
+  712SOL    HW2 2136   2.093   1.921   2.024  0.5964  2.2890 -0.5784
+  713SOL     OW 2137   1.048   1.968   2.921  0.1211  0.6320  0.1989
+  713SOL    HW1 2138   0.967   1.917   2.931 -0.3903  1.6658  1.2708
+  713SOL    HW2 2139   1.054   1.984   2.826  0.0951 -1.1158 -0.1042
+  714SOL     OW 2140   1.367   1.253   1.219  0.1909 -0.1107 -0.0830
+  714SOL    HW1 2141   1.327   1.167   1.206  2.8124 -1.3631  0.1678
+  714SOL    HW2 2142   1.302   1.315   1.187 -1.7624 -2.1832 -0.1264
+  715SOL     OW 2143   0.162   1.345   1.170 -0.1686  0.2162  0.1060
+  715SOL    HW1 2144   0.174   1.430   1.213 -3.3089  0.4803  0.4871
+  715SOL    HW2 2145   0.129   1.366   1.083  1.8651 -0.4916 -0.8196
+  716SOL     OW 2146   1.683   0.067   1.469 -0.0762 -0.5805 -0.0410
+  716SOL    HW1 2147   1.743  -0.002   1.498 -0.6882 -1.8402 -1.7691
+  716SOL    HW2 2148   1.679   0.058   1.374 -0.6153  1.4723 -0.2245
+  717SOL     OW 2149   1.957   0.462   0.667 -0.1477  0.7255  0.0014
+  717SOL    HW1 2150   1.950   0.447   0.761  1.2760  1.3957  0.2138
+  717SOL    HW2 2151   2.034   0.412   0.640 -0.2848  0.9041 -0.7244
+  718SOL     OW 2152   0.144   1.570   2.042  0.9618 -0.2144 -0.6158
+  718SOL    HW1 2153   0.092   1.501   2.001  1.3853 -1.0578  0.2695
+  718SOL    HW2 2154   0.084   1.612   2.104  0.6876  0.2563 -1.1955
+  719SOL     OW 2155   2.958   1.483   1.867  0.4095 -0.2717  0.5718
+  719SOL    HW1 2156   2.913   1.466   1.950  0.4726 -0.8137  0.4950
+  719SOL    HW2 2157   2.928   1.415   1.808 -0.0048  0.4048 -0.0011
+  720SOL     OW 2158   1.996   0.720   2.004  0.3492 -0.1826 -0.4031
+  720SOL    HW1 2159   1.943   0.772   2.065 -1.8845 -1.8402 -0.9111
+  720SOL    HW2 2160   2.075   0.698   2.053 -0.0692  1.1038  0.8535
+  721SOL     OW 2161   0.790   1.870   1.649  0.2637  0.5284  0.3192
+  721SOL    HW1 2162   0.875   1.891   1.611  0.4944  0.6142  0.8690
+  721SOL    HW2 2163   0.801   1.890   1.742 -0.1886  0.0168  0.4799
+  722SOL     OW 2164   1.316   2.416   0.027 -0.9229  0.3417 -0.0237
+  722SOL    HW1 2165   1.361   2.500   0.014 -0.2183  0.2935  2.0426
+  722SOL    HW2 2166   1.335   2.393   0.119 -2.3819 -1.3169 -0.1447
+  723SOL     OW 2167   1.000   0.768   2.554 -0.0034  0.7184  0.3038
+  723SOL    HW1 2168   0.977   0.810   2.637  0.3913  0.8129  0.3627
+  723SOL    HW2 2169   1.020   0.840   2.495  0.5161  0.6166  0.3587
+  724SOL     OW 2170   0.756   1.366   0.218  0.3743 -0.0093 -0.0790
+  724SOL    HW1 2171   0.842   1.345   0.253  1.0939  0.9138 -1.2956
+  724SOL    HW2 2172   0.740   1.298   0.152  0.4317  0.1677 -0.2761
+  725SOL     OW 2173   2.697   0.778   0.034  0.1233  0.0326  0.0663
+  725SOL    HW1 2174   2.669   0.773   0.125 -0.0225 -2.3422 -0.1275
+  725SOL    HW2 2175   2.786   0.741   0.035  0.3544  0.5731 -0.6511
+  726SOL     OW 2176   2.656   1.927   2.146  0.1853  0.1005  0.5585
+  726SOL    HW1 2177   2.622   1.891   2.228 -0.4526 -1.2013 -0.2796
+  726SOL    HW2 2178   2.717   1.860   2.114 -0.5285  0.0448 -0.6792
+  727SOL     OW 2179   0.077   0.728   2.962  0.0622 -0.3846 -0.3225
+  727SOL    HW1 2180   0.043   0.720   3.051 -0.9842  0.7678 -0.6098
+  727SOL    HW2 2181   0.161   0.774   2.972 -0.1832 -0.0148  0.0425
+  728SOL     OW 2182   2.205   0.213   0.407 -0.5281 -0.6413 -0.0452
+  728SOL    HW1 2183   2.142   0.248   0.344 -0.1348 -0.6024 -0.4208
+  728SOL    HW2 2184   2.151   0.178   0.478 -0.9204  0.6446  0.2949
+  729SOL     OW 2185   0.222   1.507  -0.002 -0.5360  0.7903  0.1461
+  729SOL    HW1 2186   0.243   1.541   0.085 -0.8018 -0.7421  0.8080
+  729SOL    HW2 2187   0.282   1.554  -0.060  1.6393 -0.3095  1.5096
+  730SOL     OW 2188   2.952   0.549   2.772 -0.1005  0.2320  0.6554
+  730SOL    HW1 2189   3.008   0.475   2.747  0.4345  1.1850 -0.9395
+  730SOL    HW2 2190   3.009   0.604   2.827  0.2125  0.6628 -0.0993
+  731SOL     OW 2191   0.712   2.996   1.319  0.1951 -0.3029  0.2794
+  731SOL    HW1 2192   0.659   2.920   1.299 -0.6948  0.2710  0.4610
+  731SOL    HW2 2193   0.716   3.045   1.236 -1.6411  0.9351  0.9211
+  732SOL     OW 2194   0.187   0.337   0.413 -0.2867  0.1668  0.4412
+  732SOL    HW1 2195   0.221   0.247   0.418  0.4211  0.3793 -0.5080
+  732SOL    HW2 2196   0.095   0.327   0.391 -0.0321 -0.3026 -0.4025
+  733SOL     OW 2197   2.691   1.154   2.192  0.3085 -0.8662  0.9354
+  733SOL    HW1 2198   2.725   1.073   2.232 -1.0031 -1.8930 -0.0478
+  733SOL    HW2 2199   2.643   1.124   2.115 -1.4630  0.7520  1.4230
+  734SOL     OW 2200   1.478   0.809   2.244 -0.4590  0.5842 -0.2649
+  734SOL    HW1 2201   1.450   0.721   2.270  0.4146 -0.4463 -2.7843
+  734SOL    HW2 2202   1.506   0.799   2.153 -0.8093  3.5737 -0.6977
+  735SOL     OW 2203   2.127   1.853   0.334  0.6945  0.1285 -0.0968
+  735SOL    HW1 2204   2.186   1.919   0.297 -0.2357  2.1904  2.1269
+  735SOL    HW2 2205   2.044   1.867   0.288  0.4590  0.5733  0.4718
+  736SOL     OW 2206   0.546   2.477   0.298 -0.1726  0.2864 -1.2450
+  736SOL    HW1 2207   0.596   2.559   0.301 -1.5212  1.0124  1.2763
+  736SOL    HW2 2208   0.602   2.413   0.341  0.8954 -0.1417 -3.2426
+  737SOL     OW 2209   0.648   2.645   2.370 -0.7149 -0.2547 -0.7980
+  737SOL    HW1 2210   0.668   2.719   2.313 -1.6410 -0.9359 -2.0170
+  737SOL    HW2 2211   0.570   2.672   2.419  0.9411  0.9001  1.1910
+  738SOL     OW 2212   0.972   0.998   0.745 -0.3018  0.2455  0.1467
+  738SOL    HW1 2213   1.009   1.051   0.674 -1.2264  1.8137  0.8306
+  738SOL    HW2 2214   0.915   0.936   0.700 -1.8401  2.0412 -0.3849
+  739SOL     OW 2215   0.753   0.706   2.277 -0.3153  0.0443  0.0217
+  739SOL    HW1 2216   0.833   0.697   2.225  1.8299  1.7382  3.0115
+  739SOL    HW2 2217   0.750   0.627   2.330 -0.8447 -0.2245 -0.4131
+  740SOL     OW 2218   2.482   1.993   0.781  0.4580  0.2269  0.0192
+  740SOL    HW1 2219   2.443   2.071   0.742 -0.6648 -1.0276 -1.3686
+  740SOL    HW2 2220   2.531   2.026   0.857 -1.8488  2.0256  0.7374
+  741SOL     OW 2221   2.111   0.373   0.181  0.7206  0.0887  0.2938
+  741SOL    HW1 2222   2.159   0.348   0.102 -0.1304 -1.1258  0.1580
+  741SOL    HW2 2223   2.054   0.444   0.152 -0.2564 -0.9771 -0.3925
+  742SOL     OW 2224   2.912   1.308   1.635  0.1948  0.1126 -0.0703
+  742SOL    HW1 2225   2.966   1.284   1.560 -0.1241 -1.2772  0.1351
+  742SOL    HW2 2226   2.824   1.316   1.600  0.0008 -0.7977  0.1975
+  743SOL     OW 2227   0.294   0.671   2.772  0.2232 -0.0746  0.0687
+  743SOL    HW1 2228   0.290   0.699   2.864  1.1685  2.4573 -0.6704
+  743SOL    HW2 2229   0.346   0.591   2.775 -0.6649 -0.6038  1.8944
+  744SOL     OW 2230   2.756   2.428   2.077  0.3686 -0.0752 -0.2737
+  744SOL    HW1 2231   2.783   2.464   1.993  1.4738  0.5979  0.3839
+  744SOL    HW2 2232   2.760   2.501   2.138 -0.9383 -0.4451  0.2575
+  745SOL     OW 2233   2.528   2.946   1.878 -0.6892 -0.1400  0.3019
+  745SOL    HW1 2234   2.525   2.902   1.793  2.2033  1.4079 -0.5894
+  745SOL    HW2 2235   2.461   3.014   1.872 -1.4756 -0.9650 -0.2269
+  746SOL     OW 2236   0.688   0.879   1.142  0.5634 -0.3773 -0.2581
+  746SOL    HW1 2237   0.744   0.817   1.189  1.1888 -0.3643 -0.9854
+  746SOL    HW2 2238   0.612   0.890   1.199  0.3908 -1.9224 -0.1826
+  747SOL     OW 2239   1.628   2.847   2.780  0.0184  0.1460 -0.4381
+  747SOL    HW1 2240   1.638   2.904   2.704  0.4094  0.2489 -0.3151
+  747SOL    HW2 2241   1.604   2.762   2.744 -0.0948  0.2716 -0.6565
+  748SOL     OW 2242   2.315   0.783   1.891 -0.0041 -0.0853  0.2880
+  748SOL    HW1 2243   2.344   0.709   1.837 -0.5815  0.3253 -0.5839
+  748SOL    HW2 2244   2.322   0.859   1.833 -0.7383  0.3395  0.7653
+  749SOL     OW 2245   1.972   2.434   0.601 -0.4814  0.2019 -0.1490
+  749SOL    HW1 2246   2.021   2.506   0.639  0.4108 -1.1895  1.3388
+  749SOL    HW2 2247   2.038   2.381   0.556 -0.7881 -0.9325  0.7170
+  750SOL     OW 2248   2.127   1.348   2.184 -0.0475 -0.1476 -0.0555
+  750SOL    HW1 2249   2.082   1.377   2.263  0.9141 -1.8990  1.1645
+  750SOL    HW2 2250   2.187   1.280   2.215  1.9049  0.6983 -1.9662
+  751SOL     OW 2251   0.687   2.978   1.749  0.7655 -0.2299  0.1904
+  751SOL    HW1 2252   0.596   2.952   1.740  1.1628 -1.2995 -0.7572
+  751SOL    HW2 2253   0.695   3.058   1.697  1.2487 -2.1787 -2.7268
+  752SOL     OW 2254   1.383   2.009   2.763  0.3011  0.0095 -0.1389
+  752SOL    HW1 2255   1.306   2.051   2.724 -1.6163 -1.7372  1.7920
+  752SOL    HW2 2256   1.408   2.067   2.835 -1.7493 -1.6433  1.9008
+  753SOL     OW 2257   1.988   0.018   2.316 -0.1361  0.3166  0.3214
+  753SOL    HW1 2258   1.918   0.071   2.355 -1.2608  0.6723 -2.1657
+  753SOL    HW2 2259   1.962   0.008   2.224  1.6734 -1.8999  0.0492
+  754SOL     OW 2260   1.416   0.641   0.336  0.3061 -0.0063  0.3303
+  754SOL    HW1 2261   1.455   0.721   0.369  0.2805 -0.2772  1.0113
+  754SOL    HW2 2262   1.449   0.633   0.246 -0.1247  1.0508  0.0778
+  755SOL     OW 2263   0.443   1.090   2.996  0.1701  0.0313  0.3039
+  755SOL    HW1 2264   0.519   1.120   2.945  0.4928 -0.4700  0.4969
+  755SOL    HW2 2265   0.368   1.132   2.953  0.3997 -0.7447 -0.8576
+  756SOL     OW 2266   2.490   1.100   0.170 -0.1537  0.0050 -0.2398
+  756SOL    HW1 2267   2.438   1.179   0.188  0.6698  0.5648 -0.3196
+  756SOL    HW2 2268   2.433   1.047   0.115 -0.3199  1.0163 -1.0510
+  757SOL     OW 2269   2.706   0.939   1.681  0.1887 -0.1443 -0.5805
+  757SOL    HW1 2270   2.728   0.988   1.760 -0.5892  0.2992 -0.6347
+  757SOL    HW2 2271   2.773   0.871   1.675  0.0549 -0.3738  0.6318
+  758SOL     OW 2272   0.942   1.665   2.690 -0.4980  0.2713  0.5066
+  758SOL    HW1 2273   1.035   1.642   2.703 -0.4550  0.1871  0.0387
+  758SOL    HW2 2274   0.928   1.654   2.596 -1.3522 -1.0791  0.8048
+  759SOL     OW 2275   2.590   0.054   0.910  0.0864 -0.0195  0.1865
+  759SOL    HW1 2276   2.668   0.027   0.862 -1.3206 -1.3682 -1.3353
+  759SOL    HW2 2277   2.560   0.133   0.865 -1.2459 -1.2966 -1.1537
+  760SOL     OW 2278   1.355   1.591   0.449 -0.0603 -0.4742 -0.6878
+  760SOL    HW1 2279   1.311   1.674   0.469 -1.3057 -1.3364  0.1537
+  760SOL    HW2 2280   1.375   1.554   0.534  0.4457 -1.0716 -1.0702
+  761SOL     OW 2281   1.993   2.064   0.667  0.0032  0.1952  0.0877
+  761SOL    HW1 2282   2.081   2.089   0.697  1.2322 -0.6753 -2.7878
+  761SOL    HW2 2283   2.005   1.978   0.627 -2.5767 -0.9158  1.6829
+  762SOL     OW 2284   2.605   0.345   0.580  0.2047  0.6433  0.3158
+  762SOL    HW1 2285   2.696   0.340   0.609  0.1796 -2.9018 -0.1502
+  762SOL    HW2 2286   2.554   0.342   0.661  0.4002 -0.9978  0.3893
+  763SOL     OW 2287   2.872   0.018   2.223  0.0497  0.2334 -0.3795
+  763SOL    HW1 2288   2.911  -0.046   2.283 -1.7357 -0.2008  0.3548
+  763SOL    HW2 2289   2.944   0.074   2.197  1.1217 -0.4503  1.0898
+  764SOL     OW 2290   2.711   3.019   0.027 -0.2838  0.3062  0.9771
+  764SOL    HW1 2291   2.722   2.924   0.025  1.5441  0.5360  0.4546
+  764SOL    HW2 2292   2.628   3.034  -0.018 -0.2380 -0.9937  0.4543
+  765SOL     OW 2293   1.923   2.580   2.576  0.3437 -0.2057 -0.1374
+  765SOL    HW1 2294   1.938   2.575   2.482  4.1236  2.8387  0.3100
+  765SOL    HW2 2295   1.995   2.529   2.615  0.4500  0.9676  1.2146
+  766SOL     OW 2296   0.202   0.949   1.524 -0.6150  0.1700 -0.1834
+  766SOL    HW1 2297   0.248   0.996   1.593 -3.6357  1.1320  1.1647
+  766SOL    HW2 2298   0.253   0.967   1.445  1.9380  0.3358  1.4935
+  767SOL     OW 2299   2.711   1.748   1.169 -0.0605  0.0842 -0.3946
+  767SOL    HW1 2300   2.623   1.737   1.131  1.0075 -2.2806 -2.1601
+  767SOL    HW2 2301   2.754   1.810   1.111 -0.4021  0.8802  0.2034
+  768SOL     OW 2302   2.678   1.935   0.519 -1.1988 -0.7849  0.2783
+  768SOL    HW1 2303   2.598   1.988   0.519 -0.7319 -0.0631  0.6998
+  768SOL    HW2 2304   2.709   1.939   0.428 -1.1076 -0.2289  0.3285
+  769SOL     OW 2305   1.898   0.949   1.032  0.4490 -0.2189 -0.0350
+  769SOL    HW1 2306   1.881   0.891   0.957  1.4883 -0.9224  0.2794
+  769SOL    HW2 2307   1.828   0.928   1.094  1.3994 -1.8762  0.5071
+  770SOL     OW 2308   2.492   1.850   2.345  0.1958 -0.3868 -0.3476
+  770SOL    HW1 2309   2.438   1.783   2.303  0.2820  0.6510 -2.1573
+  770SOL    HW2 2310   2.430   1.906   2.390  0.0992 -1.5435  0.9541
+  771SOL     OW 2311   0.483   1.286   0.714 -0.2988  0.1129 -0.1765
+  771SOL    HW1 2312   0.423   1.351   0.751 -3.0193 -2.7493  0.4373
+  771SOL    HW2 2313   0.562   1.294   0.768 -1.7069  0.8611  1.8061
+  772SOL     OW 2314   0.564   1.830  -0.011  0.1477 -0.4982  0.0289
+  772SOL    HW1 2315   0.538   1.922  -0.017  1.8787  0.0387  0.8320
+  772SOL    HW2 2316   0.510   1.794   0.059  2.9469  1.0884  2.9976
+  773SOL     OW 2317   2.061   2.150   1.526  0.0159  0.1345  0.5862
+  773SOL    HW1 2318   2.014   2.187   1.451 -1.1635  0.7511  1.6211
+  773SOL    HW2 2319   2.138   2.205   1.536  0.6326 -0.5059 -0.7469
+  774SOL     OW 2320   0.216   1.840   1.471  0.7505  0.5266  0.2560
+  774SOL    HW1 2321   0.173   1.912   1.517 -1.1984 -0.8496  0.5532
+  774SOL    HW2 2322   0.295   1.821   1.523  0.6417  1.6429  0.8220
+  775SOL     OW 2323   1.618   0.579   0.088 -0.1556  0.1733 -0.4656
+  775SOL    HW1 2324   1.660   0.576   0.002 -0.0606 -0.2995 -0.4025
+  775SOL    HW2 2325   1.666   0.515   0.140 -0.8209 -0.2118 -0.3312
+  776SOL     OW 2326   0.281   1.068   2.648  0.5013 -1.0470  0.0739
+  776SOL    HW1 2327   0.364   1.023   2.665  0.2773 -1.0468  1.1535
+  776SOL    HW2 2328   0.215   0.999   2.658  0.2437 -0.7019  0.7584
+  777SOL     OW 2329   0.393   0.045   1.130 -0.0863 -0.2505 -0.1959
+  777SOL    HW1 2330   0.407   0.105   1.057  0.5560  0.6116  0.6325
+  777SOL    HW2 2331   0.466  -0.017   1.124  0.0482 -0.0915 -0.1882
+  778SOL     OW 2332   2.855   1.858   2.715 -0.0940  0.1392 -0.1848
+  778SOL    HW1 2333   2.828   1.796   2.782 -0.9837 -0.5097 -1.1371
+  778SOL    HW2 2334   2.864   1.806   2.635  1.0590  0.8845 -0.5427
+  779SOL     OW 2335   1.360   1.521   0.177 -0.1792  0.0303  0.2802
+  779SOL    HW1 2336   1.368   1.557   0.266 -0.0042  2.2237 -0.6206
+  779SOL    HW2 2337   1.308   1.587   0.130  0.5697 -0.6787 -1.5169
+  780SOL     OW 2338   0.146   2.622   0.861 -0.1905  0.3625 -0.3948
+  780SOL    HW1 2339   0.052   2.615   0.877 -0.1583 -1.7036 -1.1237
+  780SOL    HW2 2340   0.166   2.715   0.875 -1.5199 -0.0222  4.0753
+  781SOL     OW 2341   2.290   0.128   1.065 -0.3605 -0.3548  0.2358
+  781SOL    HW1 2342   2.305   0.067   0.993 -0.1319  0.1495 -0.1432
+  781SOL    HW2 2343   2.356   0.196   1.053 -1.3417  0.5617  0.0099
+  782SOL     OW 2344   2.463   0.427   2.744  0.8792 -0.1400  0.6540
+  782SOL    HW1 2345   2.517   0.488   2.795  0.0742 -0.0788  1.4423
+  782SOL    HW2 2346   2.378   0.472   2.736  0.2058 -1.2744  1.4555
+  783SOL     OW 2347   0.271   2.432   1.752  0.1431  1.1773  0.4598
+  783SOL    HW1 2348   0.282   2.396   1.664 -0.6426  0.7875  0.5228
+  783SOL    HW2 2349   0.358   2.466   1.775  0.8406 -0.4665  0.3077
+  784SOL     OW 2350   2.011   0.130   1.046  0.1584  0.0301 -0.6898
+  784SOL    HW1 2351   2.102   0.162   1.051  0.1849 -0.0413 -0.7301
+  784SOL    HW2 2352   1.958   0.209   1.061  0.1834  0.6742 -4.1244
+  785SOL     OW 2353   1.678   1.217   0.971 -0.2082 -0.2466  0.2904
+  785SOL    HW1 2354   1.678   1.130   0.930  0.0959 -0.6031  1.0537
+  785SOL    HW2 2355   1.722   1.204   1.055 -0.8243  0.5010  0.7231
+  786SOL     OW 2356   2.903   0.406   1.129 -0.0124 -0.5226 -0.3323
+  786SOL    HW1 2357   2.972   0.340   1.120  0.0621 -0.7006  1.4493
+  786SOL    HW2 2358   2.824   0.355   1.148 -0.6380 -0.3203 -2.3590
+  787SOL     OW 2359   0.894   1.562   0.875  0.3173  0.1802  0.3522
+  787SOL    HW1 2360   0.875   1.653   0.896 -0.5307 -0.1980  1.2047
+  787SOL    HW2 2361   0.967   1.539   0.932  0.6468  0.3756  0.0119
+  788SOL     OW 2362   2.507   0.794   2.793 -0.1251 -0.5708  0.0632
+  788SOL    HW1 2363   2.577   0.749   2.840  0.3311 -0.6762 -0.7147
+  788SOL    HW2 2364   2.550   0.872   2.756 -0.4482 -0.5650 -0.2943
+  789SOL     OW 2365   0.189   0.213   1.258  0.2960  0.2630 -0.6201
+  789SOL    HW1 2366   0.205   0.212   1.352  1.4338  1.7673 -0.7982
+  789SOL    HW2 2367   0.272   0.185   1.219 -0.4251 -1.1905 -1.1508
+  790SOL     OW 2368   0.668   2.756   0.408  0.2462 -0.4600  0.3462
+  790SOL    HW1 2369   0.747   2.810   0.402  0.1419 -0.1827  1.5264
+  790SOL    HW2 2370   0.605   2.800   0.351  0.4729  0.1245  0.5447
+  791SOL     OW 2371   2.808   2.647   0.843 -0.3780 -0.0449 -0.1896
+  791SOL    HW1 2372   2.803   2.557   0.811 -2.9954 -0.3044  0.9688
+  791SOL    HW2 2373   2.815   2.700   0.763  0.6406 -1.2237 -0.8889
+  792SOL     OW 2374   1.411   2.693   2.167 -0.1042  0.1447  0.6070
+  792SOL    HW1 2375   1.427   2.620   2.227 -0.9065 -0.1155  0.5016
+  792SOL    HW2 2376   1.478   2.684   2.100  0.3904  0.0560  1.1139
+  793SOL     OW 2377   2.710   2.376   0.796 -0.0998 -0.1745  0.3876
+  793SOL    HW1 2378   2.646   2.365   0.866 -1.1644  1.8898 -0.2562
+  793SOL    HW2 2379   2.701   2.297   0.742 -0.4394 -0.9842  1.6361
+  794SOL     OW 2380   1.027   0.489   0.295 -0.2153 -0.0011 -0.0715
+  794SOL    HW1 2381   1.079   0.527   0.365  1.4503 -0.4934 -1.0343
+  794SOL    HW2 2382   1.013   0.398   0.322 -0.9351  0.2481  0.3916
+  795SOL     OW 2383   2.256   0.117   3.002 -0.1344  0.0357 -0.0757
+  795SOL    HW1 2384   2.176   0.072   3.028 -1.4767  2.1202 -0.5563
+  795SOL    HW2 2385   2.225   0.193   2.953  2.0563  3.0938  3.3194
+  796SOL     OW 2386   1.671   1.882   2.915  0.0162 -0.2469 -0.3989
+  796SOL    HW1 2387   1.643   1.939   2.987 -0.5973  0.8396 -1.4752
+  796SOL    HW2 2388   1.643   1.929   2.836  1.2751 -1.1072 -1.3588
+  797SOL     OW 2389   2.424   0.316   1.405 -0.0519 -0.3966  0.4738
+  797SOL    HW1 2390   2.498   0.373   1.382 -1.3003  0.8754 -0.3322
+  797SOL    HW2 2391   2.459   0.259   1.474  1.9020 -0.2630 -0.4029
+  798SOL     OW 2392   2.376   2.509   0.704  0.2919 -0.5694  0.0571
+  798SOL    HW1 2393   2.430   2.531   0.628 -0.8151  0.5320 -0.4217
+  798SOL    HW2 2394   2.428   2.538   0.779  0.1632  0.9171 -0.4242
+  799SOL     OW 2395   0.899   1.383   2.089  0.2270  0.0882 -0.2680
+  799SOL    HW1 2396   0.829   1.448   2.098  0.2852  0.2523 -0.9962
+  799SOL    HW2 2397   0.904   1.341   2.175 -0.2874  0.5632 -0.0052
+  800SOL     OW 2398   1.969   2.176   1.279 -0.0230 -0.0765  0.7334
+  800SOL    HW1 2399   1.927   2.108   1.226 -0.5801  0.2900  0.7049
+  800SOL    HW2 2400   1.913   2.252   1.268 -0.3769 -0.1377  2.2250
+  801SOL     OW 2401   0.428   1.606   2.866  0.0223  0.4375 -0.1302
+  801SOL    HW1 2402   0.480   1.685   2.876 -2.8105  2.2502  0.1243
+  801SOL    HW2 2403   0.465   1.544   2.929  1.6402  1.8329  0.2713
+  802SOL     OW 2404   0.582   0.846   1.828  0.2385  0.0343 -0.3074
+  802SOL    HW1 2405   0.667   0.803   1.821  1.5574  2.4834  0.6219
+  802SOL    HW2 2406   0.554   0.828   1.918 -0.6337 -1.5424 -0.8985
+  803SOL     OW 2407   1.300   1.264   0.355 -0.1297 -0.0354 -0.3534
+  803SOL    HW1 2408   1.364   1.322   0.313 -0.5588  0.1692 -0.7221
+  803SOL    HW2 2409   1.329   1.258   0.446 -1.1654  2.2728  0.1226
+  804SOL     OW 2410   0.143   0.784   2.594  0.0219  0.0356  0.3530
+  804SOL    HW1 2411   0.202   0.769   2.520 -0.9494 -1.7748 -0.0546
+  804SOL    HW2 2412   0.176   0.727   2.664 -2.0480 -1.9940 -0.3192
+  805SOL     OW 2413   0.922   2.236   0.482 -0.1951 -0.0090 -0.1256
+  805SOL    HW1 2414   0.986   2.227   0.411  0.4399  0.8336  0.3354
+  805SOL    HW2 2415   0.915   2.149   0.519  0.0327 -0.2915 -0.7437
+  806SOL     OW 2416   1.850   0.001   2.059 -0.1833 -0.0537 -0.2502
+  806SOL    HW1 2417   1.870   0.082   2.012 -0.2054 -0.0041 -0.1755
+  806SOL    HW2 2418   1.842  -0.065   1.991 -0.4966  0.0736 -0.3393
+  807SOL     OW 2419   2.608   2.848   2.246  0.1633 -0.2513 -0.2262
+  807SOL    HW1 2420   2.549   2.859   2.320  1.2823 -0.5605  0.7157
+  807SOL    HW2 2421   2.683   2.903   2.267 -0.4899  1.3826 -2.1619
+  808SOL     OW 2422   0.803   1.063   0.963 -0.0685 -0.3137 -0.0398
+  808SOL    HW1 2423   0.831   1.040   0.874 -0.8457 -2.3704  0.2365
+  808SOL    HW2 2424   0.771   0.981   1.000 -2.4493  1.1476  1.1366
+  809SOL     OW 2425   1.249   2.119   0.644  0.4708 -0.3862 -0.2126
+  809SOL    HW1 2426   1.154   2.116   0.652  0.2505  1.9162 -2.0747
+  809SOL    HW2 2427   1.281   2.110   0.734 -1.4382 -3.9263  0.1185
+  810SOL     OW 2428   1.876   1.491   2.699 -0.2981 -0.2776 -0.1114
+  810SOL    HW1 2429   1.796   1.477   2.649  0.7751  0.2181 -1.9560
+  810SOL    HW2 2430   1.848   1.540   2.777 -2.0095 -1.3901 -0.0406
+  811SOL     OW 2431   0.467   0.716   0.268 -0.2808 -0.1123 -0.4498
+  811SOL    HW1 2432   0.484   0.653   0.338 -0.1296  0.5256  0.0889
+  811SOL    HW2 2433   0.483   0.801   0.308 -0.7068  0.2808 -1.1174
+  812SOL     OW 2434   0.348   0.688   0.811 -0.3598 -0.0464 -0.3956
+  812SOL    HW1 2435   0.311   0.637   0.883  0.0431  1.0321  0.5739
+  812SOL    HW2 2436   0.275   0.740   0.779 -0.6958 -1.0068 -1.1832
+  813SOL     OW 2437   1.952   0.305   2.353  0.3651  0.3642  0.1979
+  813SOL    HW1 2438   1.990   0.393   2.346  0.1113  0.5652  1.3399
+  813SOL    HW2 2439   1.992   0.256   2.281  0.5820  1.3879 -0.3878
+  814SOL     OW 2440   1.504   1.608   1.033  0.3203 -0.2906 -0.2639
+  814SOL    HW1 2441   1.574   1.593   1.098 -0.6586  1.7874  1.2491
+  814SOL    HW2 2442   1.544   1.667   0.969  0.1134  0.5147  0.3466
+  815SOL     OW 2443   2.059   0.145   1.568 -0.3515  1.2167  0.1232
+  815SOL    HW1 2444   2.109   0.083   1.623 -0.7880  0.4281 -0.3637
+  815SOL    HW2 2445   2.112   0.153   1.489 -0.0557  1.8380  0.3856
+  816SOL     OW 2446   0.377   2.420   1.121 -0.6048  0.1325  0.2008
+  816SOL    HW1 2447   0.403   2.497   1.070 -3.1104 -1.4767 -3.5081
+  816SOL    HW2 2448   0.286   2.437   1.146 -0.3087 -0.4176  1.6636
+  817SOL     OW 2449   0.155   1.781   1.215 -0.3857 -0.0652 -0.7582
+  817SOL    HW1 2450   0.159   1.802   1.308  1.9043 -1.5834 -0.5244
+  817SOL    HW2 2451   0.227   1.829   1.176 -0.1571 -0.9834 -1.4639
+  818SOL     OW 2452   0.027   0.200   2.107  0.0502  0.2466  0.0548
+  818SOL    HW1 2453   0.104   0.249   2.136  0.0381  0.3274 -0.0498
+  818SOL    HW2 2454  -0.022   0.262   2.052 -0.2575  0.3004  0.3908
+  819SOL     OW 2455   2.073   1.050   0.777 -0.1177  0.3216  0.5425
+  819SOL    HW1 2456   2.015   1.047   0.853 -0.6117 -1.5496  0.0941
+  819SOL    HW2 2457   2.159   1.072   0.812 -0.7827  1.5775  1.3898
+  820SOL     OW 2458   2.841   2.743   0.075 -0.1393 -0.1334 -0.6518
+  820SOL    HW1 2459   2.793   2.677   0.124  0.3563 -0.6790 -0.9051
+  820SOL    HW2 2460   2.881   2.695   0.002 -0.2279  0.5323 -1.1432
+  821SOL     OW 2461   0.940   1.173   1.399 -0.5022  0.2903 -0.4956
+  821SOL    HW1 2462   0.941   1.242   1.465 -0.2791  1.4429 -1.7190
+  821SOL    HW2 2463   0.895   1.100   1.442 -1.1472  1.3505  0.6297
+  822SOL     OW 2464   1.800   1.395   0.798  0.2371 -0.3543 -0.9502
+  822SOL    HW1 2465   1.719   1.441   0.775  0.1781  0.2913  0.4954
+  822SOL    HW2 2466   1.772   1.308   0.824  0.0932 -0.4213 -1.3355
+  823SOL     OW 2467   0.377   0.833   1.309 -0.1575 -0.0844  0.1858
+  823SOL    HW1 2468   0.310   0.866   1.249 -0.7302 -0.8072  0.4335
+  823SOL    HW2 2469   0.438   0.907   1.320 -1.2883  0.7893  0.5233
+  824SOL     OW 2470   1.288   0.788   2.032 -0.1591 -0.2886  0.0598
+  824SOL    HW1 2471   1.233   0.831   2.097 -1.4831  0.1431 -1.3569
+  824SOL    HW2 2472   1.310   0.857   1.969  0.6463 -0.8434 -0.2656
+  825SOL     OW 2473   2.327   1.154   2.214 -0.1821 -0.1916  0.0327
+  825SOL    HW1 2474   2.353   1.160   2.122 -0.6135 -0.4221 -0.1023
+  825SOL    HW2 2475   2.380   1.083   2.249  1.1553  0.9622  0.3587
+  826SOL     OW 2476   1.362   2.306   0.287  0.3806 -0.4267 -0.0926
+  826SOL    HW1 2477   1.453   2.323   0.311  0.2629  0.1047 -0.0236
+  826SOL    HW2 2478   1.350   2.212   0.302  0.2046 -0.0138  2.2329
+  827SOL     OW 2479   2.878   0.445   0.633  0.7016 -0.0221  0.1920
+  827SOL    HW1 2480   2.905   0.385   0.564  1.1916  2.0327 -1.4162
+  827SOL    HW2 2481   2.959   0.469   0.677  0.8444  1.6740 -0.9829
+  828SOL     OW 2482   0.475   0.883   2.712  0.1997 -0.0296 -0.2254
+  828SOL    HW1 2483   0.403   0.823   2.731 -0.5329  0.3376 -1.9152
+  828SOL    HW2 2484   0.540   0.863   2.780 -2.9813  2.0854  3.4471
+  829SOL     OW 2485   1.829   0.639   1.374  0.9488  0.3708 -0.3438
+  829SOL    HW1 2486   1.813   0.609   1.463  0.2478  0.2370 -0.5160
+  829SOL    HW2 2487   1.836   0.558   1.323  1.4690  0.4446 -0.3878
+  830SOL     OW 2488   0.526   0.223   2.394  0.0146 -0.0419 -0.3104
+  830SOL    HW1 2489   0.549   0.196   2.305 -1.0189 -0.0942 -0.5650
+  830SOL    HW2 2490   0.580   0.300   2.411  1.4411 -1.0274 -0.3708
+  831SOL     OW 2491   1.567   1.100   0.279  0.0500 -0.2599 -0.0435
+  831SOL    HW1 2492   1.544   1.191   0.298  0.1342 -0.3508  0.4916
+  831SOL    HW2 2493   1.663   1.100   0.272 -0.0377 -0.0592 -1.3474
+  832SOL     OW 2494   0.526   0.107   0.416  0.3085 -0.6643 -0.3591
+  832SOL    HW1 2495   0.517   0.016   0.387  0.6680 -1.0043  0.5946
+  832SOL    HW2 2496   0.612   0.134   0.384  0.4350 -0.8336 -0.1598
+  833SOL     OW 2497   1.862   0.771   0.826  0.3231  0.2897  0.0258
+  833SOL    HW1 2498   1.801   0.697   0.837 -1.8510  2.0983  0.1263
+  833SOL    HW2 2499   1.941   0.731   0.789 -1.8850 -1.6695 -2.6437
+  834SOL     OW 2500   1.518   2.161   1.180  0.4750 -0.1221 -0.1135
+  834SOL    HW1 2501   1.497   2.201   1.264 -0.7419 -0.1147 -0.4206
+  834SOL    HW2 2502   1.552   2.074   1.203  0.2958 -0.0587  0.3881
+  835SOL     OW 2503   2.097   1.294   2.952  0.0318  0.2650  0.0016
+  835SOL    HW1 2504   2.114   1.225   3.015  1.2950  1.5783  1.0793
+  835SOL    HW2 2505   2.017   1.337   2.983  0.3541  0.5660  0.4085
+  836SOL     OW 2506   3.010   0.018   1.353 -0.0039 -0.3769  0.1513
+  836SOL    HW1 2507   2.934  -0.006   1.299 -0.2390 -1.1337  0.8148
+  836SOL    HW2 2508   3.043   0.099   1.313 -0.5885 -0.5582 -0.7118
+  837SOL     OW 2509   1.189   0.599   0.488  0.5356  0.1615 -0.2536
+  837SOL    HW1 2510   1.254   0.641   0.433  0.3947 -0.0222 -0.5594
+  837SOL    HW2 2511   1.129   0.669   0.514  0.8260  0.3199 -0.0169
+  838SOL     OW 2512   1.676   1.583   2.537  0.2167  0.3417  0.2696
+  838SOL    HW1 2513   1.650   1.560   2.448 -1.0667  2.2947  0.1190
+  838SOL    HW2 2514   1.621   1.659   2.559 -0.7570 -1.2537  3.3879
+  839SOL     OW 2515   2.921   2.593   2.823  0.3981  0.0365  0.1130
+  839SOL    HW1 2516   2.834   2.568   2.792  1.0079 -0.7987 -0.9599
+  839SOL    HW2 2517   2.944   2.526   2.887 -0.6634  1.4938  2.0152
+  840SOL     OW 2518   0.701   0.855   0.082 -0.3890  0.1286  0.3083
+  840SOL    HW1 2519   0.620   0.814   0.113 -0.7772  0.6566 -0.0109
+  840SOL    HW2 2520   0.697   0.945   0.116 -0.3052  0.3870 -0.3624
+  841SOL     OW 2521   0.861   1.197   1.881 -0.5959 -0.1235  0.1033
+  841SOL    HW1 2522   0.864   1.251   1.960  1.9895  1.6736 -1.1910
+  841SOL    HW2 2523   0.804   1.245   1.821  1.3344  0.9611 -0.8795
+  842SOL     OW 2524   2.268   1.570   2.992  0.3417  0.2029 -0.2191
+  842SOL    HW1 2525   2.208   1.615   3.052  1.2650 -0.4054  1.1805
+  842SOL    HW2 2526   2.228   1.485   2.976 -0.2571  0.6417 -1.0152
+  843SOL     OW 2527   1.438   0.927   0.432  0.2761  0.4220  0.2776
+  843SOL    HW1 2528   1.491   0.989   0.381 -0.7320  1.8036  0.8997
+  843SOL    HW2 2529   1.446   0.958   0.523  0.1255 -0.6213  0.6463
+  844SOL     OW 2530   1.661   1.552   0.593 -0.1961 -0.0551  0.3928
+  844SOL    HW1 2531   1.754   1.533   0.584 -0.6221 -0.4102 -3.5380
+  844SOL    HW2 2532   1.655   1.647   0.588 -0.1706 -0.1061 -0.6045
+  845SOL     OW 2533   2.016   2.939   1.818 -0.2224  0.6029 -0.4594
+  845SOL    HW1 2534   1.995   2.846   1.804 -1.0008  0.7328 -0.1139
+  845SOL    HW2 2535   2.099   2.937   1.866 -0.4696  0.0828 -0.0491
+  846SOL     OW 2536   0.944   2.263   1.724  0.2770  0.0476  0.9362
+  846SOL    HW1 2537   0.964   2.192   1.785 -0.6489 -0.5714  0.5191
+  846SOL    HW2 2538   0.893   2.221   1.654  0.4721  0.9516  0.2586
+  847SOL     OW 2539   2.024   1.698   1.214  0.1452  0.2248 -0.0035
+  847SOL    HW1 2540   2.039   1.784   1.255 -0.3708 -0.4733  1.6330
+  847SOL    HW2 2541   2.012   1.638   1.287 -0.8187 -1.0177 -1.1822
+  848SOL     OW 2542   0.704   2.958   2.443  0.0404  0.0204  0.4656
+  848SOL    HW1 2543   0.689   3.052   2.431  2.5420  0.3323 -0.3275
+  848SOL    HW2 2544   0.724   2.926   2.355  1.8596 -0.7644  1.1704
+  849SOL     OW 2545   0.831   1.038   0.459  0.1440  0.5227 -0.0520
+  849SOL    HW1 2546   0.820   1.035   0.364  1.6417 -1.8207 -0.1257
+  849SOL    HW2 2547   0.784   0.961   0.491  1.9347 -0.1721  0.9129
+  850SOL     OW 2548   2.670   2.049   2.631  0.0877  0.0705 -0.6352
+  850SOL    HW1 2549   2.750   2.018   2.674 -0.1162  0.1760 -0.1837
+  850SOL    HW2 2550   2.668   2.002   2.547 -0.7245 -1.8418  0.4666
+  851SOL     OW 2551   2.270   0.009   2.314  0.0545 -0.7719 -0.3071
+  851SOL    HW1 2552   2.279   0.093   2.267 -1.1646 -0.2032  0.4685
+  851SOL    HW2 2553   2.176   0.000   2.328  0.3638 -1.3142  1.3765
+  852SOL     OW 2554   2.544   1.406   2.893 -0.5319 -0.2514 -0.3900
+  852SOL    HW1 2555   2.545   1.494   2.932 -1.4783 -0.2128 -0.4338
+  852SOL    HW2 2556   2.473   1.410   2.829  0.6411 -0.4912 -1.6978
+  853SOL     OW 2557   1.956   1.191   1.545  0.1106 -0.7910 -0.0718
+  853SOL    HW1 2558   1.911   1.270   1.573  1.3379 -0.1700  0.1769
+  853SOL    HW2 2559   1.907   1.119   1.584  0.9486 -0.0012  2.4084
+  854SOL     OW 2560   0.329   1.531   2.492  0.8799 -0.0120  1.0316
+  854SOL    HW1 2561   0.345   1.487   2.409 -0.3078  0.2084  0.6748
+  854SOL    HW2 2562   0.306   1.461   2.552 -0.6774  0.0817  0.5494
+  855SOL     OW 2563   0.374   2.239   2.765 -0.0451  0.2804 -0.1169
+  855SOL    HW1 2564   0.437   2.295   2.719  0.2386  0.2314  0.2134
+  855SOL    HW2 2565   0.305   2.299   2.793 -0.6847  0.1711 -1.4162
+  856SOL     OW 2566   1.652   2.973   2.520  0.1942 -0.1524  0.3550
+  856SOL    HW1 2567   1.666   3.024   2.440  1.3575 -0.7277  0.1993
+  856SOL    HW2 2568   1.685   2.886   2.500  1.1079 -0.1223  1.6838
+  857SOL     OW 2569   2.343   2.919   0.885 -0.0327 -0.1510  0.0433
+  857SOL    HW1 2570   2.338   2.832   0.924 -0.2056  0.2990  1.0492
+  857SOL    HW2 2571   2.435   2.932   0.865  0.2058 -0.0093  1.2046
+  858SOL     OW 2572   0.171   2.497   2.575  0.5357  1.0194 -0.0978
+  858SOL    HW1 2573   0.144   2.485   2.667  0.7883 -0.1834 -0.1783
+  858SOL    HW2 2574   0.175   2.408   2.540  0.4708  1.4854 -1.2725
+  859SOL     OW 2575   1.923   2.538   2.309  0.2239  1.0124  0.2007
+  859SOL    HW1 2576   1.881   2.457   2.338  2.3909 -0.1881 -0.0023
+  859SOL    HW2 2577   1.951   2.518   2.219  1.1946  1.8276  0.3309
+  860SOL     OW 2578   0.789   0.126   0.746 -0.4803 -0.1369 -0.4255
+  860SOL    HW1 2579   0.854   0.196   0.754  0.6452 -1.1769 -0.5717
+  860SOL    HW2 2580   0.705   0.171   0.757  0.2800  1.1036  0.3726
+  861SOL     OW 2581   0.500   2.179   1.766  0.5986  0.9268  0.6184
+  861SOL    HW1 2582   0.418   2.217   1.735  1.2378 -0.4296 -2.6775
+  861SOL    HW2 2583   0.503   2.202   1.859 -2.3193  3.0975  0.1790
+  862SOL     OW 2584   1.777   2.891   0.031 -0.1426 -0.0493  0.2211
+  862SOL    HW1 2585   1.710   2.928   0.089  0.9357  1.4845  0.4788
+  862SOL    HW2 2586   1.737   2.896  -0.056 -0.0044  1.6867  0.2611
+  863SOL     OW 2587   2.686   1.487   0.642  0.1669 -0.0631  0.7226
+  863SOL    HW1 2588   2.744   1.560   0.620 -0.6290 -0.1281 -1.6786
+  863SOL    HW2 2589   2.611   1.528   0.685 -0.1436  0.5193 -0.3615
+  864SOL     OW 2590   1.534  -0.006   0.848  0.5402  0.1391 -0.2917
+  864SOL    HW1 2591   1.527   0.016   0.941  1.3614  1.6439 -0.5887
+  864SOL    HW2 2592   1.525   0.078   0.803 -0.8735 -0.7192 -1.6115
+  865SOL     OW 2593   2.860   1.093   1.890 -0.3535  0.0175 -0.3493
+  865SOL    HW1 2594   2.773   1.132   1.901 -0.0794  0.5500 -0.0939
+  865SOL    HW2 2595   2.861   1.021   1.953 -0.3698  0.4181  0.1106
+  866SOL     OW 2596   2.619   2.725   1.230 -0.6618 -0.0667 -0.5982
+  866SOL    HW1 2597   2.678   2.794   1.198  0.7645 -1.4411 -0.8913
+  866SOL    HW2 2598   2.666   2.643   1.213 -1.0108 -0.9332  2.7407
+  867SOL     OW 2599   2.009   0.162   0.624 -0.1996 -0.2606 -0.1501
+  867SOL    HW1 2600   1.927   0.191   0.663  0.2980 -0.1276  0.8001
+  867SOL    HW2 2601   1.998   0.068   0.611 -0.5805 -0.2077 -0.1978
+  868SOL     OW 2602   0.178   2.800   1.281  0.4564  0.1469 -0.1940
+  868SOL    HW1 2603   0.166   2.753   1.364 -0.3862 -0.9076 -0.8995
+  868SOL    HW2 2604   0.140   2.886   1.296 -1.5781 -0.7560 -0.1383
+  869SOL     OW 2605   2.561   2.524   0.407  0.1714 -0.9408  0.1817
+  869SOL    HW1 2606   2.646   2.526   0.450 -0.0023 -0.3340  0.4878
+  869SOL    HW2 2607   2.573   2.574   0.326 -0.5896  1.3217  1.4659
+  870SOL     OW 2608   2.301   2.679   1.037  0.5326 -0.0810 -0.8300
+  870SOL    HW1 2609   2.381   2.660   0.988  1.1741  0.1256  0.1201
+  870SOL    HW2 2610   2.261   2.593   1.052  0.8519 -0.2313 -0.8493
+  871SOL     OW 2611   2.395   1.839   0.587  0.4417 -0.1595 -0.3632
+  871SOL    HW1 2612   2.422   1.903   0.654  1.5364 -0.8578 -0.1432
+  871SOL    HW2 2613   2.475   1.790   0.567 -0.0486 -0.4022 -1.6931
+  872SOL     OW 2614   0.934   2.524   0.484  0.6627  0.1843  0.2297
+  872SOL    HW1 2615   0.890   2.439   0.494  0.5108  0.2967  0.5154
+  872SOL    HW2 2616   0.965   2.524   0.394 -1.3879  0.8168 -0.4647
+  873SOL     OW 2617   0.854   0.202   2.521 -0.1760 -0.1619 -0.1070
+  873SOL    HW1 2618   0.875   0.182   2.430 -0.1055  0.2965 -0.1920
+  873SOL    HW2 2619   0.912   0.145   2.572  0.6028  0.4163 -0.3454
+  874SOL     OW 2620   2.739   1.574   0.074 -0.3849  0.1968 -0.0119
+  874SOL    HW1 2621   2.721   1.606   0.163 -1.2858  0.9930 -0.4908
+  874SOL    HW2 2622   2.754   1.480   0.086  1.3890  0.6182  1.2616
+  875SOL     OW 2623   2.756   2.168   1.873 -0.0762  0.0624  0.2777
+  875SOL    HW1 2624   2.843   2.172   1.911 -0.2678 -0.1349  0.7377
+  875SOL    HW2 2625   2.736   2.075   1.865  0.4732  0.0938 -1.4836
+  876SOL     OW 2626   2.293   2.386   2.751 -0.0343 -0.0558  0.0267
+  876SOL    HW1 2627   2.252   2.464   2.713 -0.1264  0.3285  0.9121
+  876SOL    HW2 2628   2.227   2.318   2.741  0.3109 -0.1797 -1.3671
+  877SOL     OW 2629   1.498   0.283   0.761 -0.2751 -0.2833 -0.5689
+  877SOL    HW1 2630   1.449   0.324   0.832  1.2157 -1.0357  0.8891
+  877SOL    HW2 2631   1.476   0.335   0.684 -2.9288 -0.2742  0.1865
+  878SOL     OW 2632   2.794   1.164   1.101  0.6008 -0.8436  0.0066
+  878SOL    HW1 2633   2.718   1.215   1.074  2.6523  1.5127 -1.4089
+  878SOL    HW2 2634   2.805   1.184   1.194  0.0603 -0.4447 -0.0169
+  879SOL     OW 2635   2.830   0.876   0.511  0.1087 -0.1881 -0.5208
+  879SOL    HW1 2636   2.812   0.909   0.423  0.9106 -1.5924 -1.2033
+  879SOL    HW2 2637   2.778   0.797   0.519  1.4470 -1.0546 -0.3871
+  880SOL     OW 2638   0.567   0.134   0.007 -0.4811  0.0209 -0.0163
+  880SOL    HW1 2639   0.609   0.082   0.076  1.4581  2.4879  0.6394
+  880SOL    HW2 2640   0.610   0.105  -0.074  1.2391  1.2797  0.4550
+  881SOL     OW 2641   1.795   0.305   1.623  0.1766 -0.3385 -0.5942
+  881SOL    HW1 2642   1.876   0.264   1.591 -0.0833 -1.8089  0.6732
+  881SOL    HW2 2643   1.725   0.254   1.582 -0.1196  0.1920 -0.7427
+  882SOL     OW 2644   1.951   0.804   0.170  0.2338 -0.1090  0.2141
+  882SOL    HW1 2645   1.887   0.783   0.237 -1.8653  2.8955 -0.8579
+  882SOL    HW2 2646   2.025   0.842   0.218 -0.7718  0.9366  0.9072
+  883SOL     OW 2647   0.342   1.232   2.440 -0.0400 -0.1921  0.2571
+  883SOL    HW1 2648   0.313   1.178   2.513  0.7970 -0.0398  0.7142
+  883SOL    HW2 2649   0.430   1.260   2.465 -0.4538  1.3556  0.0257
+  884SOL     OW 2650   0.485   2.787   1.269  0.0529 -0.0891 -0.3627
+  884SOL    HW1 2651   0.394   2.760   1.264  0.0428  0.1257 -1.3332
+  884SOL    HW2 2652   0.513   2.797   1.178  0.4727  1.7524 -0.0522
+  885SOL     OW 2653   2.100   2.737  -0.020 -0.4310  0.1463  0.5587
+  885SOL    HW1 2654   2.076   2.719   0.071 -0.3641 -1.9688  0.1616
+  885SOL    HW2 2655   2.035   2.800  -0.050 -2.8573 -2.2253  0.8449
+  886SOL     OW 2656   1.180   1.594   1.871 -0.2265  0.1634  0.3664
+  886SOL    HW1 2657   1.272   1.607   1.895 -0.4895  0.3300  1.3053
+  886SOL    HW2 2658   1.171   1.500   1.858 -0.4419 -0.0960  2.4215
+  887SOL     OW 2659   0.946   1.736   2.094 -0.3618  0.2745  0.0454
+  887SOL    HW1 2660   0.921   1.661   2.148  2.5657 -0.1309  0.8599
+  887SOL    HW2 2661   0.935   1.705   2.004 -0.3821 -0.7289  0.3853
+  888SOL     OW 2662   0.087   2.056   1.596 -0.5384  0.0637 -0.5828
+  888SOL    HW1 2663   0.060   2.017   1.679  2.0148  0.7363  0.5753
+  888SOL    HW2 2664   0.073   2.150   1.608 -0.2230  0.1526 -0.9097
+  889SOL     OW 2665   2.887   2.073   0.051 -0.2337 -0.0021 -0.8106
+  889SOL    HW1 2666   2.958   2.109   0.103 -1.1726 -1.3085  1.3879
+  889SOL    HW2 2667   2.811   2.126   0.074 -0.4530  0.0062 -1.5342
+  890SOL     OW 2668   1.744   1.582   0.260 -0.2299 -0.1649  0.3411
+  890SOL    HW1 2669   1.767   1.601   0.351 -1.5762 -0.4541  0.7309
+  890SOL    HW2 2670   1.747   1.667   0.216  1.0603 -0.1180  0.5119
+  891SOL     OW 2671   1.884   1.692   1.801  0.2295 -0.1286 -0.1626
+  891SOL    HW1 2672   1.941   1.689   1.877 -0.0546  2.2566  0.1705
+  891SOL    HW2 2673   1.796   1.703   1.837  0.1033  1.0692 -0.8273
+  892SOL     OW 2674   0.526   1.971   0.968  0.0903  0.3947 -0.0047
+  892SOL    HW1 2675   0.530   2.066   0.954  0.5942  0.4966  0.8033
+  892SOL    HW2 2676   0.568   1.958   1.053 -0.5041 -0.4974  0.1487
+  893SOL     OW 2677   1.747   0.592   0.531 -0.3102 -0.2927 -0.3387
+  893SOL    HW1 2678   1.822   0.546   0.569 -0.0556  2.0738  2.0043
+  893SOL    HW2 2679   1.671   0.547   0.569 -0.0697 -0.0700  0.4098
+  894SOL     OW 2680   0.068   0.217   0.992  0.0812 -0.3914 -0.2009
+  894SOL    HW1 2681   0.134   0.246   0.929  1.5946  1.0059  1.9985
+  894SOL    HW2 2682   0.118   0.202   1.073 -2.2984  0.5411  1.4236
+  895SOL     OW 2683   2.291   1.424   0.779 -0.2085  0.1601 -0.1671
+  895SOL    HW1 2684   2.203   1.441   0.813 -0.2751 -0.3553 -0.0792
+  895SOL    HW2 2685   2.340   1.505   0.797 -0.1081 -0.2968  1.6035
+  896SOL     OW 2686   0.205   0.166   2.437 -0.0572 -0.5920 -0.4001
+  896SOL    HW1 2687   0.215   0.113   2.358 -1.3284 -1.2961 -0.0933
+  896SOL    HW2 2688   0.111   0.179   2.445  0.1132 -0.0247  0.6663
+  897SOL     OW 2689   1.144   2.274   2.877 -0.6109  0.0057  0.8021
+  897SOL    HW1 2690   1.199   2.328   2.934  1.3689 -1.4822  0.3300
+  897SOL    HW2 2691   1.123   2.197   2.931  0.5805 -1.0176 -0.1780
+  898SOL     OW 2692   1.494   0.513   0.592  0.5957 -0.1071 -0.5549
+  898SOL    HW1 2693   1.443   0.503   0.511  1.6341  1.4414 -1.3967
+  898SOL    HW2 2694   1.454   0.587   0.637 -1.5533 -2.5560  1.5288
+  899SOL     OW 2695   0.645   2.259   0.469  0.8668 -0.2219  0.1797
+  899SOL    HW1 2696   0.739   2.255   0.487  0.7535 -2.9277  0.1895
+  899SOL    HW2 2697   0.612   2.174   0.499 -1.8530  1.4489  1.8433
+  900SOL     OW 2698   0.576   2.141   2.050 -0.2940  0.2177  0.1375
+  900SOL    HW1 2699   0.668   2.159   2.034 -0.1056 -0.7235  0.1393
+  900SOL    HW2 2700   0.560   2.171   2.139 -0.1891  1.1435 -0.1582
+   3.01125   3.01125   3.01125

diff --git a/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.mdp b/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.mdp
new file mode 100644 (file)
index 0000000..5c23ce0
--- /dev/null
+++ b/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.mdp
@@ -0,0 +1,11 @@
+nsteps                   = 500000
+dt                       = 0.002
+cutoff-scheme            = verlet
+coulombtype              = PME
+tcoupl                   = v-rescale
+tc-grps                  = system
+ref-t                    = 298.15
+tau-t                    = 0.1
+pcoupl                   = C-rescale
+ref-p                    = 1.0
+compressibility          = 4.5e-5

diff --git a/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.top b/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.top
new file mode 100644 (file)
index 0000000..cfe250d
--- /dev/null
+++ b/tests/physicalvalidation/systems/ens_water_md_verlet_settle_pme_vr_cr/input/system.top
@@ -0,0 +1,34 @@
+[ defaults ]
+; nbfunc        comb-rule       gen-pairs       fudgeLJ fudgeQQ
+1               3               yes             0.5     0.5
+
+[ atomtypes ]
+ opls_111   OW  8     15.99940    -0.834       A    3.15061e-01  6.36386e-01
+ opls_112   HW  1      1.00800     0.417       A    0.00000e+00  0.00000e+00
+
+
+[ moleculetype ]
+; molname      nrexcl
+H2O            2
+
+[ atoms ]
+; id   at type res nr  residu name     at name         cg nr   charge
+1     opls_111  1       H2O              OW             1       -0.834
+2     opls_112  1       H2O             HW1             1        0.417
+3     opls_112  1       H2O             HW2             1        0.417
+
+[ settles ]
+; i    j       funct   length
+1      1       0.09572 0.15139
+
+[ exclusions ]
+1      2       3
+2      1       3
+3      1       2
+
+[ system ]
+Pure Water
+
+[ molecules ]
+; Compound             #mols
+H2O               900

diff --git a/tests/physicalvalidation/systems_d.json b/tests/physicalvalidation/systems_d.json
index 9ca12e3b9a99655d177e07525586d302793f1fc5..39c518a79845e8123168f28f989bff27b5bba8cd 100644 (file)
--- a/tests/physicalvalidation/systems_d.json
+++ b/tests/physicalvalidation/systems_d.json
@@ -127,6 +127,14 @@
       {"test": "kin_mb", "args": "-t 0.01"}
     ]
   },
+  {
+    "name": "ens_argon_md_verlet_pme_vr_cr",
+    "dir": "ens_argon_md_verlet_pme_vr_cr",
+    "tests": [
+      {"test": "ensemble", "args": "--dtemp 3 0 3 --dpress 0 75 75"},
+      {"test": "kin_mb", "args": "-t 0.01"}
+    ]
+  },
   {
     "name": "ens_argon_md-vv_verlet_pme_nh_mttk",
     "dir": "ens_argon_md-vv_verlet_pme_nh_mttk",
@@ -159,6 +167,14 @@
       {"test": "kin_mb", "args": "-t 0.01"}
     ]
   },
+  {
+    "name": "ens_water_md_verlet_settle_pme_vr_cr",
+    "dir": "ens_water_md_verlet_settle_pme_vr_cr",
+    "tests": [
+      {"test": "ensemble", "args": "--dtemp 8 0 8 --dpress 0 300 300"},
+      {"test": "kin_mb", "args": "-t 0.01"}
+    ]
+  },
   {
     "name": "ens_water_md-vv_verlet_none_pme_nh_mttk",
     "dir": "ens_water_md-vv_verlet_none_pme_nh_mttk",