<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
<ReferenceData>
- <FunctionType Name="PDIHS">
- <FEP Name="No">
- <Real Name="Epot ">11.117714323462188</Real>
- <Real Name="dVdlambda ">0</Real>
- <Vector Name="Central shift forces">
- <Real Name="X">1.1368683772161603e-13</Real>
- <Real Name="Y">0</Real>
- <Real Name="Z">0</Real>
- </Vector>
- <Sequence Name="Forces">
- <Int Name="Length">4</Int>
- <Vector>
- <Real Name="X">273.20508075688775</Real>
- <Real Name="Y">0</Real>
- <Real Name="Z">0</Real>
- </Vector>
- <Vector>
- <Real Name="X">-858.64453952164718</Real>
- <Real Name="Y">0</Real>
- <Real Name="Z">0</Real>
- </Vector>
- <Vector>
- <Real Name="X">957.99184161506105</Real>
- <Real Name="Y">0</Real>
- <Real Name="Z">0</Real>
- </Vector>
- <Vector>
- <Real Name="X">-372.55238285030157</Real>
- <Real Name="Y">0</Real>
- <Real Name="Z">0</Real>
- </Vector>
- </Sequence>
+ <FunctionType Name="RBDIHS">
+ <FEP Name="Yes">
+ <Lambda Name="0">
+ <Real Name="Epot ">12.640397608567275</Real>
+ <Real Name="dVdlambda ">7.2925381469254464</Real>
+ <Sequence Name="Forces">
+ <Int Name="Length">4</Int>
+ <Vector>
+ <Real Name="X">-4.3107846237948211</Real>
+ <Real Name="Y">-2.3553680836143229</Real>
+ <Real Name="Z">-4.1084596506480429</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">4.350281252590543</Real>
+ <Real Name="Y">2.3453743103280273</Real>
+ <Real Name="Z">4.0815401005439309</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">4.1714201126393853</Real>
+ <Real Name="Y">2.3984020205902752</Real>
+ <Real Name="Z">4.2193351579378255</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">-4.2109167414351072</Real>
+ <Real Name="Y">-2.3884082473039796</Real>
+ <Real Name="Z">-4.1924156078337136</Real>
+ </Vector>
+ </Sequence>
+ <Shift-Forces Name="Shift-forces">
+ <Vector Name="Central">
+ <Real Name="X">0</Real>
+ <Real Name="Y">0</Real>
+ <Real Name="Z">0</Real>
+ </Vector>
+ </Shift-Forces>
+ </Lambda>
+ <Lambda Name="0.5">
+ <Real Name="Epot ">16.286666682030003</Real>
+ <Real Name="dVdlambda ">7.2925381469254464</Real>
+ <Sequence Name="Forces">
+ <Int Name="Length">4</Int>
+ <Vector>
+ <Real Name="X">-5.9858565628887783</Real>
+ <Real Name="Y">-3.2706100470661372</Real>
+ <Real Name="Z">-5.7049127500937882</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">6.0407006748826468</Real>
+ <Real Name="Y">3.2567329229148649</Real>
+ <Real Name="Z">5.6675328808302528</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">5.7923382021873842</Real>
+ <Real Name="Y">3.330365983990605</Real>
+ <Real Name="Z">5.8588719340694215</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">-5.8471823141812536</Real>
+ <Real Name="Y">-3.3164888598393327</Real>
+ <Real Name="Z">-5.821492064805887</Real>
+ </Vector>
+ </Sequence>
+ <Shift-Forces Name="Shift-forces">
+ <Vector Name="Central">
+ <Real Name="X">-8.8817841970012523e-16</Real>
+ <Real Name="Y">0</Real>
+ <Real Name="Z">-8.8817841970012523e-16</Real>
+ </Vector>
+ </Shift-Forces>
+ </Lambda>
+ <Lambda Name="1">
+ <Real Name="Epot ">19.932935755492721</Real>
+ <Real Name="dVdlambda ">7.2925381469254464</Real>
+ <Sequence Name="Forces">
+ <Int Name="Length">4</Int>
+ <Vector>
+ <Real Name="X">-7.6609285019827373</Real>
+ <Real Name="Y">-4.1858520105179524</Real>
+ <Real Name="Z">-7.3013658495395344</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">7.7311200971747542</Real>
+ <Real Name="Y">4.1680915355017039</Real>
+ <Real Name="Z">7.2535256611165755</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">7.4132562917353839</Real>
+ <Real Name="Y">4.2623299473909348</Real>
+ <Real Name="Z">7.4984087102010202</Real>
+ </Vector>
+ <Vector>
+ <Real Name="X">-7.4834478869274008</Real>
+ <Real Name="Y">-4.2445694723746863</Real>
+ <Real Name="Z">-7.4505685217780613</Real>
+ </Vector>
+ </Sequence>
+ <Shift-Forces Name="Shift-forces">
+ <Vector Name="Central">
+ <Real Name="X">0</Real>
+ <Real Name="Y">0</Real>
+ <Real Name="Z">0</Real>
+ </Vector>
+ </Shift-Forces>
+ </Lambda>
</FEP>
</FunctionType>
</ReferenceData>