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system.chk
23 lines (23 loc) · 1.5 KB
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system.chk
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bonds kind=intar 3,2
1 0 2 0
3 0
charges kind=none None
dipoles kind=none None
ffatype_ids kind=intar 4
0 1 1 1
ffatypes kind=strar 2
N3 H1_n
masses kind=fltar 4
2.553265413674931e+04 1.837362363054474e+03 1.837362363054474e+03 1.837362363054474e+03
numbers kind=intar 4
7 1 1 1
pos kind=fltar 4,3
0.000000000000000e+00 1.599603060000000e-06 2.061938970000000e-01 1.549903440000000e+00
8.950108630000000e-01 -4.811205270000000e-01 -1.550058500000000e+00 8.947422910000000e-01
-4.811205260000000e-01 1.550600390000000e-04 -1.789764350000000e+00 -4.811162260000000e-01
radii kind=none None
radii2 kind=none None
rvecs kind=fltar 0,3
scope_ids kind=none None
scopes kind=none None
valence_charges kind=none None