diff --git "a/NequIP-SPICE2_int/bond_length_distribution/result.json" "b/NequIP-SPICE2_int/bond_length_distribution/result.json" deleted file mode 100644--- "a/NequIP-SPICE2_int/bond_length_distribution/result.json" +++ /dev/null @@ -1,8062 +0,0 @@ -{ - "score": 1.0, - "molecules": [ - { - "molecule_name": "carbon-carbon (single)", - "deviation_trajectory": [ - 0.0, - 0.007538557052612305, - 0.03202009201049805, - 0.004820466041564941, - 0.0852583646774292, - 0.04308617115020752, - 0.043662190437316895, - 0.01314079761505127, - 0.06297600269317627, - 0.016693949699401855, - 0.040935635566711426, - 0.05822300910949707, - 0.06364166736602783, - 0.028693795204162598, - 0.02699434757232666, - 0.06958663463592529, - 0.012947440147399902, - 0.016656041145324707, - 0.010539770126342773, - 0.0030840635299682617, - 0.026552557945251465, - 0.008769869804382324, - 0.006998181343078613, - 0.026602864265441895, - 0.014557600021362305, - 0.007360100746154785, - 0.009927630424499512, - 0.01506340503692627, - 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