src/gromacs/mdlib/tests/refdata/WithParameters_ConstraintsTest_SatisfiesConstraints_3.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Sequence Name="FinalPositions">
   5     <Int Name="Length">4</Int>
   6     <Atom>
   7       <Real Name="XX">2.501097</Real>
   8       <Real Name="YY">-3.100044</Real>
   9       <Real Name="ZZ">15.700083</Real>
  10     </Atom>
  11     <Atom>
  12       <Real Name="XX">0.50835478</Real>
  13       <Real Name="YY">-3.0199339</Real>
  14       <Real Name="ZZ">15.549876</Real>
  15     </Atom>
  16     <Atom>
  17       <Real Name="XX">-0.51762629</Real>
  18       <Real Name="YY">-2.9991274</Real>
  19       <Real Name="ZZ">15.197382</Real>
  20     </Atom>
  21     <Atom>
  22       <Real Name="XX">-1.5055934</Real>
  23       <Real Name="YY">-2.9502182</Real>
  24       <Real Name="ZZ">15.050654</Real>
  25     </Atom>
  26   </Sequence>
  27   <Sequence Name="FinalVelocities">
  28     <Int Name="Length">4</Int>
  29     <Atom>
  30       <Real Name="XX">1.0967836</Real>
  31       <Real Name="YY">0.95590824</Real>
  32       <Real Name="ZZ">0.082671925</Real>
  33     </Atom>
  34     <Atom>
  35       <Real Name="XX">-0.64517546</Real>
  36       <Real Name="YY">0.066137642</Real>
  37       <Real Name="ZZ">-0.12400789</Real>
  38     </Atom>
  39     <Atom>
  40       <Real Name="XX">-17.626278</Real>
  41       <Real Name="YY">0.8725872</Real>
  42       <Real Name="ZZ">-1.6177576</Real>
  43     </Atom>
  44     <Atom>
  45       <Real Name="XX">4.4065695</Real>
  46       <Real Name="YY">-0.2181468</Real>
  47       <Real Name="ZZ">0.65443939</Real>
  48     </Atom>
  49   </Sequence>
  50   <VirialScaled>
  51     <Real Name="XX">0.0032607431</Real>
  52     <Real Name="XY">-0.00017159013</Real>
  53     <Real Name="XZ">0.00056419277</Real>
  54     <Real Name="YX">-0.00017159013</Real>
  55     <Real Name="YY">8.903291e-06</Real>
  56     <Real Name="YZ">-2.869669e-05</Real>
  57     <Real Name="ZX">0.00056419271</Real>
  58     <Real Name="ZY">-2.869669e-05</Real>
  59     <Real Name="ZZ">8.9815294e-05</Real>
  60   </VirialScaled>
  61 </ReferenceData>