src/gromacs/mdlib/tests/refdata/WithParameters_ConstraintsTest_SatisfiesConstraints_5.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">3</Int>
   6     <Atom>
   7       <Real Name="XX">0.068317376</Real>
   8       <Real Name="YY">0.058317374</Real>
   9       <Real Name="ZZ">0.0099999998</Real>
  10     </Atom>
  11     <Atom>
  12       <Real Name="XX">-0.016634544</Real>
  13       <Real Name="YY">0.013365454</Real>
  14       <Real Name="ZZ">-0.017608097</Real>
  15     </Atom>
  16     <Atom>
  17       <Real Name="XX">0.098206073</Real>
  18       <Real Name="YY">0.11820607</Real>
  19       <Real Name="ZZ">0.10820607</Real>
  20     </Atom>
  21   </Sequence>
  22   <Sequence Name="FinalVelocities">
  23     <Int Name="Length">3</Int>
  24     <Atom>
  25       <Real Name="XX">-10.682622</Real>
  26       <Real Name="YY">-11.682622</Real>
  27       <Real Name="ZZ">0</Real>
  28     </Atom>
  29     <Atom>
  30       <Real Name="XX">3.3654542</Real>
  31       <Real Name="YY">4.3654542</Real>
  32       <Real Name="ZZ">2.3919024</Real>
  33     </Atom>
  34     <Atom>
  35       <Real Name="XX">-1.7939267</Real>
  36       <Real Name="YY">-1.7939267</Real>
  37       <Real Name="ZZ">-0.79392672</Real>
  38     </Atom>
  39   </Sequence>
  40   <VirialScaled>
  41     <Real Name="XX">0.0041404041</Real>
  42     <Real Name="XY">0.0041404041</Real>
  43     <Real Name="XZ">0.0033143177</Real>
  44     <Real Name="YX">0.0041404041</Real>
  45     <Real Name="YY">0.0041404041</Real>
  46     <Real Name="YZ">0.0033143177</Real>
  47     <Real Name="ZX">0.0033143177</Real>
  48     <Real Name="ZY">0.0033143177</Real>
  49     <Real Name="ZZ">0.0033143177</Real>
  50   </VirialScaled>
  51 </ReferenceData>