A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C 1.04227 -0.05469 -0.07227 |
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H 2.13447 -0.05468 -0.07227 |
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H 0.67821 -0.65291 0.76588 |
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H 0.67821 -0.48143 -1.00941 |
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H 0.67821 0.97028 0.02674
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