fairchem_uma_demo / examples /ethylene_carbonate.xyz
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ethylene carbonate
O -0.12334 -1.10922 0.16737
C 0.64058 0.00703 0.00189
C -1.46757 -0.74526 -0.08091
C -1.47502 0.74033 0.08533
O -0.13418 1.11813 -0.16228
O 1.86114 0.01331 0.00048
H -2.13521 -1.24337 0.62850
H -1.74077 -1.05266 -1.09551
H -1.75177 1.04514 1.09984
H -2.14685 1.23129 -0.62434