contcar

来自「已经编译好的levoo程序」· 代码 · 共 13 行

TXT
13
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bulk MgO -> Species: Mg  O                  1.000000000000000          0.0000000000000000    2.1000000000000000    2.1000000000000000     2.1000000000000000    0.0000000000000000    2.1000000000000000     2.1000000000000000    2.1000000000000000    0.0000000000000000   1   1Direct  0.0000000000000000  0.0000000000000000  0.0000000000000000  0.5000000000000000  0.5000000000000000  0.5000000000000000  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00

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