A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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N -3.92638 2.02046 -0.01511 |
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H -2.88327 2.03305 0.00110 |
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H -4.26440 3.00059 -0.13170 |
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H -4.26440 1.66429 0.90542
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