A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C 1.38268 -0.22177 0.00557
C 0.50634 -1.30705 -0.00813
C -0.87140 -1.09059 -0.01457
C -1.37323 0.21091 -0.00446
C -0.49683 1.29596 0.01058
C 0.88099 1.07953 0.01412
H 2.45620 -0.39044 0.00960
H 0.89724 -2.32089 -0.01414
H -1.55415 -1.93593 -0.02709
H -2.44657 0.37942 -0.00833
H -0.88769 2.31003 0.01913
H 1.56377 1.92486 0.02373