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  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2013-11-20 22:41:36 UTC
  • mfrom: (1.2.2)
  • Revision ID: package-import@ubuntu.com-20131120224136-tzx7leh606fqnckm
Tags: 0~20131119.git7162cf0-1
* [e65b919] Imported Upstream version 0~20131119.git7162cf0
* [f7bddd4] Fix some problems, introduced by upstream recently.
* [3616dfc] Use wrap-and-sort script.
* [7e92030] Ignore quilt dir

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tools/msi2lmp/test/h2-h2o-class1.car
 
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!BIOSYM archive 3
 
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PBC=ON
 
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Materials Studio Generated CAR File
 
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!DATE Tue Jul 02 12:42:22 2013
 
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PBC   10.0000   10.0000   10.0000   90.0000   90.0000   90.0000 (P1)
 
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H1       4.600000000    5.000000000    2.500000000 HYDR 1      h       H   0.000
 
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H2       5.400000000    5.000000000    2.500000000 HYDR 1      h       H   0.000
 
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end
 
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O1       5.000000000    5.000000000    7.500000000 TIP3 2      otip    O  -0.834
 
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H2       4.000000000    5.000000000    7.500000000 TIP3 2      htip    H   0.417
 
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H3       5.000000000    4.000000000    7.500000000 TIP3 2      htip    H   0.417
 
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end
 
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end