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在ovito中产生的data文件如下: LAMMPS data file written by OVITO Basic 3.2.136 atoms
2 atom types
0.0 7.873 xlo xhi
0.0 5.965 ylo yhi
0.0 7.4274157027 zlo zhi
3.6525090785e-16 -3.3598511841 7.0489758524e-16 xy xz yz
Atoms # charge
1 1 0.0 5.0322966892 4.8274745 1.9808917679
2 2 0.0 5.295472163 4.238729 2.6783261024
3 1 0.0 4.0238246391 4.466592 1.1349091194
4 2 0.0 3.5938429457 3.6273165 1.2500340628
5 1 0.0 3.6049761072 5.3321135 0.0802160896
6 1 0.0 -0.8017942092 4.9956875 6.6126282001
7 2 0.0 -1.2510371002 4.164763 6.7128983121
8 1 0.0 -1.180631063 5.8498755 5.601756923
9 2 0.0 -1.8808939385 5.604714 5.0090491499
10 1 0.0 1.1607777188 1.8449745 1.7328160834
。
。
。
怎么将compass写入对应的in文件中,目前貌似Material studio只能把cvff结合lammps写入data文件,别的不可以
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