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adf:adsorptionxyzznoh2o
22

Zn       0.49208091       3.80819952       3.76870189
Zn       3.78058843       3.80756457       3.78145498
Zn       0.50237863       1.12127250       1.86116956
Zn       3.78237863       1.12127250       1.86116956
O       0.45552379       1.83768110       3.76351394
O       3.77515612       1.83680563       3.77096760
O       0.50237863       4.49129374       1.86116956
O       3.78237863       4.49129374       1.86116956
Zn       5.42237863       3.76127009       0.91431512
Zn       2.14237863       3.76127009       0.91431512
Zn       5.39286684       1.21796034       4.73949178
Zn       2.11090976       1.25237789       4.66543569
O       5.42237863       1.85129457       0.91431512
O       2.14237863       1.85129457       0.91431512
O       5.41810259       4.51134637       4.75511377
O       2.13393677       4.58185689       4.54033555
O       5.50733755       2.67977642       6.56806596
H       6.42636009       2.64000163       6.89916668
H       5.46049858       3.63052634       6.02902285
H       2.02877828       1.28744386       7.59649605
O       2.02044855       2.00175556       6.94537229
H       2.86306753       2.42995647       7.16415983
VEC1       6.56000000       0.00000000       0.00000000 
VEC2       0.00000000       5.28000000       0.00000000 
adf/adsorptionxyzznoh2o.txt · 最后更改: 2023/12/27 15:36 由 liu.jun

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