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ss0832 / BiasPotPy Public

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BiasPotPy

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aldol_rxn.xyz

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13 lines (12 loc) · 380 Bytes

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BiasPotPy

/

aldol_rxn.xyz

File metadata and controls

13 lines (12 loc) · 380 Bytes

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C 1.903318 5.912355 1.303995

H 2.366163 6.879510 1.053961

O 2.448306 4.816121 1.043675

H 0.894022 5.985397 1.737764

C 1.962360 0.697130 3.267770

C 1.397750 1.543100 4.218500

H 2.994480 0.326200 3.374850

O 0.110410 2.035690 4.125690

H 2.008780 1.839940 5.091410

H 1.385940 0.382380 2.383450

H -0.036670 2.592980 4.896020

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