{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.344649250818447, -7.35393500191335e-20, 0.0, 6.705482599401241e-16, 15.474081688575394, 0.0, 3.6365920148190896e-16, 6.392977699863093e-34, 33.4979424]]}, "__ase_objtype__": "cell"}, "ctime": 24.959270450192307, "dipole": {"__ndarray__": [[3], "float64", [5.154346363604516, 39.23945573717388, 5.0459282514369055e-12]]}, "energy": -75.69155278646905, "forces": {"__ndarray__": [[18, 3], "float64", [0.00382472, -0.0042726, -0.00515255, 0.00158646, -0.00619849, 0.00678134, -0.00681788, 0.00294492, -0.00657474, 0.00524327, 0.00203258, -0.00495985, 0.00148775, 0.00151224, 0.00561822, 0.0041778, 0.00351117, -0.00328852, 0.0041558, 0.00287866, 0.00290315, -0.0044043, -0.0055862, 0.00431677, 0.00434902, 0.0031749, 0.00187841, -0.00382472, -0.0042726, 0.00515255, -0.00158646, -0.00619849, -0.00678134, 0.00681788, 0.00294492, 0.00657474, -0.00524327, 0.00203258, 0.00495985, -0.00148775, 0.00151224, -0.00561822, -0.0041778, 0.00351117, 0.00328852, -0.0041558, 0.00287866, -0.00290315, 0.0044043, -0.0055862, -0.00431677, -0.00434902, 0.0031749, -0.00187841]]}, "free_energy": -75.69156047109573, "initial_magmoms": {"__ndarray__": [[18], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[18], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.959270450192307, "numbers": {"__ndarray__": [[18], "int64", [15, 15, 16, 16, 16, 16, 16, 16, 16, 15, 15, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[18, 3], "float64", [5.62513563, 7.38237531, 17.6870907, 2.2574484, 14.02818894, 17.68744433, 3.94287976, 2.96789562, 17.07798093, 0.21858853, 14.8051483, 17.81899147, 2.31854158, 6.60373177, 17.81777853, 4.93795203, 1.67335629, 15.43985293, 2.94481928, 4.26290861, 15.43912762, 2.68115271, 1.8699622, 18.03198542, 5.20452324, 4.06639868, 18.03137076, -0.41410261, 15.11941615, 15.8108517, 2.95358462, 6.29114809, 15.81049807, 1.26815326, 10.70493646, 16.41996147, 4.99244449, 7.06810745, 15.67895093, 2.89249143, 14.34077262, 15.68016387, 0.27308099, 9.41039714, 18.05808947, 2.26621374, 11.99994946, 18.05881478, 2.52988031, 9.60700305, 15.46595698, 0.00650978, 11.80343952, 15.46657164]]}, "stress": {"__ndarray__": [[6], "float64", [-1.1081573168126356e-06, -8.050272364482565e-06, 3.342172173802652e-05, -3.7974111464866046e-23, 6.878195656690416e-07, 0.0]]}, "unique_id": "a0546b197c8f0bf101f63cc91c2878fc", "user": "cmr"}, "ids": [1], "nextid": 2}