forked from lijiext/lammps
14 lines
578 B
Plaintext
14 lines
578 B
Plaintext
!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
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