{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -527.09926569}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.351457435878594, "energy": -527.09926569, "forces": {"__ndarray__": [[60, 3], "float64", [-0.003484, 0.002838, 0.003926, -0.001038, 0.001394, -0.006426, -0.001561, 0.000366, -0.000501, 0.004199, -0.000607, -0.002118, 0.003863, -0.001201, 0.001418, -0.003551, 0.002795, -0.000956, 0.00278, 0.0036, 0.00271, 0.002423, -0.002776, 3.1e-05, 0.003665, -0.002959, -0.001558, -0.000525, 0.003354, -0.000287, -0.000114, -0.001183, 0.005701, 0.005463, -0.004588, -0.000385, -0.000999, 0.000355, 0.002709, 0.000133, -0.001638, -0.001921, 0.000922, -0.000917, 0.005295, -0.004028, 0.004783, 0.001156, -0.00077, -0.002993, -0.000247, 0.000626, 0.005408, -0.001526, -0.002892, -7.1e-05, 0.000281, 0.001027, -0.000421, 0.003862, 0.003898, 7.3e-05, 0.002604, 0.0029, -0.001557, 0.001321, -0.004895, 0.003893, -0.001399, 4e-06, -0.004778, -0.001435, -0.00081, 0.000119, 0.002205, -0.001898, -0.000332, -0.009571, -0.003502, 0.000406, 0.002995, 0.000118, 0.00156, -0.003355, -0.002452, 0.001681, 0.005292, 0.003661, 0.002158, -0.00061, -0.001083, 0.001539, -0.00033, -0.002428, -0.00236, -0.001695, -0.003007, 0.000264, -0.001376, 0.005157, 0.000544, -0.001487, 0.004803, 0.001413, 0.001686, 0.00141, -0.001801, -0.000406, -0.003622, 0.001273, 0.007085, -0.0005, -0.001248, -0.002658, 0.000647, -0.000841, -0.001604, -0.001568, 0.000431, -0.005, 0.000111, 6.5e-05, -0.000476, -0.000802, -0.000639, 0.001935, -0.00289, 0.001881, -0.000342, -0.001613, -0.001974, 0.002073, -3.1e-05, -0.004801, -0.003417, 0.005638, -0.000761, 0.003537, 0.001378, -0.004367, -0.002626, -0.000836, -0.000265, 0.001161, -0.003056, 0.000827, -0.000473, -0.002066, 0.00457, 0.0046, 9.5e-05, 0.000752, -0.004915, -0.000887, -1.2e-05, -0.002603, -0.003589, 0.000162, -0.000589, 0.000203, -0.000148, -0.002463, 0.000313, -0.002202, 0.002282, 0.003848, 0.00147, 0.001918, 0.000124, 0.001561, 0.000908, -8e-06, 0.001468, -0.00507, 0.001207, -0.004528, 0.001799, -0.000109, -0.001032, -0.000665]]}, "key_value_pairs": {"gap": 0.7444899999999999, "symmetry_op_number": 1}, "mtime": 25.58503527676845, "numbers": {"__ndarray__": [[60], "int32", [5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[60, 3], "float64", [10.39031, 6.3183, 9.37583, 8.01867, 12.32146, 11.82485, 11.97226, 11.44344, 12.5977, 9.00039, 9.28589, 6.65824, 12.34957, 12.61968, 10.59562, 9.25307, 7.70952, 12.58919, 8.26557, 6.94767, 10.60206, 10.99926, 9.28208, 13.32166, 11.97045, 12.31184, 8.17615, 8.42364, 7.38878, 8.14776, 10.38457, 8.83243, 6.69311, 13.19512, 11.44269, 10.59597, 11.20419, 10.00696, 6.75608, 9.60256, 6.40027, 10.64964, 12.96081, 10.71296, 11.82664, 10.2396, 6.94509, 11.83054, 11.94773, 8.56857, 12.5731, 12.75929, 11.16417, 8.2054, 9.72992, 6.87694, 8.09081, 10.73125, 7.68298, 7.42062, 13.4098, 10.72877, 9.40568, 12.94939, 9.30859, 11.81644, 11.58418, 7.37806, 11.82905, 12.76289, 8.84843, 8.19954, 13.19035, 8.58087, 10.59359, 11.83951, 6.88685, 9.3869, 12.36714, 7.38654, 10.58473, 10.3784, 11.18662, 6.69112, 11.98147, 7.69094, 8.1801, 7.6626, 7.38133, 9.395, 9.61847, 8.84032, 13.32481, 6.58526, 10.73281, 10.58389, 7.19963, 11.18709, 11.82254, 7.6556, 12.61557, 9.40064, 8.25651, 13.04667, 10.58943, 6.79997, 11.44201, 9.39678, 9.63983, 13.4967, 10.59053, 8.42207, 12.61684, 8.167, 9.25486, 12.32056, 12.58891, 7.57711, 10.015, 12.5896, 7.04262, 10.71287, 8.16575, 6.58457, 9.28167, 10.58847, 10.25643, 13.04838, 11.82756, 8.04889, 8.58871, 7.40567, 8.03981, 11.43974, 7.39933, 8.7667, 10.01506, 13.32562, 7.05691, 9.31185, 8.17147, 9.62261, 11.18752, 13.32212, 9.74807, 13.06568, 8.16752, 10.37448, 13.5132, 9.39992, 6.83206, 8.57166, 9.4047, 8.99755, 10.73615, 6.65957, 11.58732, 12.61825, 11.83362, 8.0221, 7.71012, 11.82518, 11.00509, 10.73318, 13.31852, 11.75506, 13.05509, 9.40514, 10.73982, 12.31943, 7.42123, 7.19994, 8.83958, 11.82574, 13.40998, 9.28898, 9.403, 12.37671, 10.0106, 7.46262]]}, "stress": {"__ndarray__": [[6], "float64", [4.980724282454839e-05, 7.343759637514242e-05, 3.596357558333933e-05, -4.100671495705301e-06, -1.4486542681175042e-05, -4.294158278607682e-06]]}, "unique_id": "a5d6f6ba6ec4818d381cb426c6881470", "user": "hecc"}, "ids": [1], "nextid": 2}