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[求助]
四氧化三鈷的晶胞參數(shù) 已有1人參與
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| 各位大神,請大家?guī)臀艺蚁滤难趸?nbsp; ICSD # 28158 的參數(shù),非常感謝。! |
木蟲 (著名寫手)

木蟲 (著名寫手)
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寫成VASP的格式,如下: ******************************************************************** Co3 O4 1.0 8.0839996338 0.0000000000 0.0000000000 0.0000000000 8.0839996338 0.0000000000 0.0000000000 0.0000000000 8.0839996338 Co O 24 32 Direct 0.000000000 0.000000000 0.000000000 0.000000000 0.500000000 0.500000000 0.500000000 0.500000000 0.000000000 0.500000000 0.000000000 0.500000000 0.750000000 0.250000000 0.750000000 0.250000000 0.250000000 0.250000000 0.250000000 0.750000000 0.750000000 0.750000000 0.750000000 0.250000000 0.625000000 0.625000000 0.625000000 0.375000000 0.875000000 0.125000000 0.875000000 0.125000000 0.375000000 0.125000000 0.375000000 0.875000000 0.875000000 0.375000000 0.125000000 0.375000000 0.125000000 0.875000000 0.125000000 0.875000000 0.375000000 0.625000000 0.125000000 0.125000000 0.375000000 0.375000000 0.625000000 0.875000000 0.625000000 0.875000000 0.875000000 0.875000000 0.625000000 0.375000000 0.625000000 0.375000000 0.125000000 0.625000000 0.125000000 0.625000000 0.375000000 0.375000000 0.625000000 0.875000000 0.875000000 0.125000000 0.125000000 0.625000000 0.391999990 0.391999990 0.391999990 0.608000040 0.108000010 0.891999960 0.108000010 0.891999960 0.608000040 0.891999960 0.608000040 0.108000010 0.141999990 0.641999960 0.358000010 0.858000040 0.858000040 0.858000040 0.641999960 0.358000010 0.141999990 0.358000010 0.141999990 0.641999960 0.641999960 0.141999990 0.358000010 0.141999990 0.358000010 0.641999960 0.358000010 0.641999960 0.141999990 0.108000010 0.608000040 0.891999960 0.608000040 0.891999960 0.108000010 0.891999960 0.108000010 0.608000040 0.391999990 0.891999960 0.891999960 0.608000040 0.608000040 0.391999990 0.108000010 0.391999990 0.108000010 0.141999990 0.141999990 0.858000040 0.858000040 0.358000010 0.358000010 0.641999960 0.858000040 0.641999960 0.641999960 0.641999960 0.858000040 0.141999990 0.858000040 0.141999990 0.108000010 0.108000010 0.391999990 0.608000040 0.391999990 0.608000040 0.891999960 0.391999990 0.891999960 0.391999990 0.608000040 0.608000040 0.358000010 0.858000040 0.358000010 0.858000040 0.141999990 0.141999990 0.858000040 0.641999960 0.641999960 0.391999990 0.108000010 0.108000010 0.891999960 0.891999960 0.391999990 0.358000010 0.358000010 0.858000040 |

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