A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C 1.08367 -0.04679 0.02846 |
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H 2.17587 -0.04679 0.02846 |
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H 0.71961 0.07706 1.05072 |
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H 0.71960 -0.99402 -0.37541 |
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H 0.71960 0.77659 -0.58992
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