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OOPSE-3.0
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water
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dimer
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cl.in
Revision:
2152
Committed:
Fri Apr 8 14:42:27 2005 UTC
(19 years, 5 months ago) by
chrisfen
File size:
265 byte(s)
Log Message:
changes during debug of charge-dipole
File Contents
#
Content
1
2
2
99991; 59.7166 0 0; 0 59.7166 0; 0 0 59.7166; -0.00400019 11.42;
3
SSD 1.139005 0.029470 0.017771 0.000081 -0.000251 0.000022 0.672889 -0.517317 -0.513436 0.126442 0.001472 0.003632 -0.000903
4
Cl- 4.860995 -0.029470 -0.017771 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0