{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -664.51582023}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.369650688578126, "energy": -664.51582023, "forces": {"__ndarray__": [[96, 3], "float64", [-0.001673, -0.00139, -0.000321, -0.000602, 0.001714, -0.00273, -0.000843, 0.002606, 0.001691, -0.005441, 0.000504, 0.000679, -0.002646, 0.002968, -0.00225, -0.001884, 0.000382, -0.002669, 0.000105, -0.003043, 0.000695, -0.001422, 0.002853, 0.001955, 0.002794, 0.002958, 0.001513, -0.00108, 0.001435, -0.000689, 0.000699, 0.000342, -0.002313, -0.001301, -0.004042, -0.000676, -0.001113, 0.000211, -5.8e-05, -0.001631, -0.001376, -0.001414, 0.00091, 0.001674, 0.002192, 0.000966, 0.001336, 0.003367, -0.001395, -0.000288, -0.000168, -0.001961, 0.002378, -0.003846, -0.001356, 0.00116, 0.001081, -0.00162, -0.002763, -0.000114, -0.001288, -1.6e-05, 0.000549, -0.000958, -0.000479, -0.000476, -0.000189, 0.001019, 0.00158, -0.002679, 7.8e-05, -0.001709, -0.001272, 2.7e-05, 0.001224, 0.000421, -0.001478, 0.001094, -0.000518, 0.000266, 0.001278, 0.000572, -0.002428, -0.001931, 0.001414, -2.5e-05, 0.001195, -0.000721, -0.001431, 0.002103, 0.000362, 0.000351, 0.00231, -0.002024, -0.00097, 0.002921, -0.001757, -0.000464, -0.000879, -0.00181, 0.000319, 0.000427, 0.000759, -0.001089, -0.000472, 0.000353, -0.001151, 0.002086, -0.001284, 0.002173, -0.001501, 0.001121, 0.003336, -0.002279, 0.001304, 0.001231, -0.00112, 0.000344, -0.00227, -0.00306, 0.001842, 0.000242, 0.001573, 0.000764, -0.001948, 0.000624, 0.002771, -0.002395, -0.003758, 0.00248, 0.000485, -0.002831, 0.003514, -0.000491, 0.001546, 0.002048, 0.001779, 0.001033, 0.003224, -0.003045, -0.000433, 0.003077, -0.004998, 0.002282, -0.000547, 0.002599, 0.001993, 0.002021, 0.0029, -0.005602, -0.004289, -0.003159, -0.000615, 0.001607, 0.002074, -0.001132, 0.000162, 0.000342, 0.000582, 0.003065, 0.000931, -0.005446, -0.000433, -0.007615, -0.001326, 0.000429, -0.001076, -0.001065, 0.004565, 0.001924, 0.002804, -0.001632, 0.000152, -0.001456, 0.001951, 0.000494, 0.001396, -0.001913, 0.000751, -0.002085, -0.003211, 0.001968, 0.002516, 0.00238, 0.002042, 0.002423, -0.000383, 0.001993, 0.0023, -0.001235, -0.001445, 0.001874, -0.000269, 0.000503, -0.002427, -0.003722, -5.9e-05, -0.003919, 0.002018, -0.002946, 0.002504, 0.000558, -0.007074, -0.00262, -0.001575, 0.001038, 0.001157, -0.002873, 0.000791, -0.002151, -0.000979, 0.005207, 0.000978, 0.005071, 0.005528, 0.000519, -0.000957, 0.003309, 0.000333, -0.001208, -0.000283, -0.001608, -0.001059, -8.5e-05, 0.002794, -0.00287, 0.000615, 0.001461, -0.001963, 0.001123, -0.000223, -0.001817, 0.000628, -0.000686, -0.001205, -0.000221, 0.001294, -0.00091, 0.006458, 0.00189, -0.002747, 0.005816, -0.000103, -0.001346, 0.002074, -0.002732, -0.002206, -0.004777, 0.002021, 0.002773, 0.001367, 0.004471, 0.001102, -0.001112, 0.001095, 0.001504, -0.001607, 0.000692, 0.00452, -0.007862, -0.001672, 0.001092, 0.000396, -0.002501, 0.002772, -0.003391, 0.004848, 0.004575, -0.000616, -0.00405, 0.000571, -0.002283, 0.001155, -0.000336, 0.001238, -0.000538, 0.000762, 0.001467, 0.001464, 0.003429, 0.000323, -0.000251, 0.003282, -0.003316, 0.001868, 0.000102, -0.003372, -0.001521]]}, "key_value_pairs": {"perms_number": 3}, "mtime": 24.993350970214824, "numbers": {"__ndarray__": [[96], "int32", [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 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, 6, 6]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[96, 3], "float64", [7.62614, 13.51889, 7.47929, 8.91136, 13.34719, 13.46286, 5.24862, 9.10643, 10.99498, 8.0559, 10.02057, 14.5963, 5.79484, 9.23648, 7.42255, 9.4379, 11.66901, 14.7147, 9.63522, 14.30559, 7.41945, 10.3872, 14.93158, 9.33959, 5.46067, 7.9993, 9.15467, 11.5373, 11.15539, 14.47015, 12.44606, 14.31775, 9.16269, 10.94234, 12.99272, 6.28045, 9.42578, 8.3613, 14.72421, 7.18756, 8.00191, 6.33497, 6.84599, 6.34161, 9.40901, 8.59692, 9.20755, 5.33662, 13.1602, 13.64377, 11.02535, 8.75508, 6.7736, 13.51436, 11.40964, 9.01329, 14.67057, 12.76279, 13.22867, 7.40904, 7.77167, 6.34401, 7.46194, 10.71309, 8.66105, 5.39185, 14.35723, 11.81775, 11.12028, 10.18175, 5.70575, 12.24925, 12.91498, 8.23291, 13.42597, 13.75463, 11.37741, 7.28733, 9.75536, 5.71714, 7.77127, 10.98642, 6.72895, 6.31153, 14.82985, 11.10077, 9.14132, 12.20146, 6.34459, 12.65611, 13.8247, 8.63404, 7.27142, 14.40416, 8.18197, 11.11786, 12.11911, 5.66595, 9.17305, 13.35098, 6.31656, 10.7984, 12.8598, 6.72987, 7.43716, 14.85269, 8.91532, 9.15709, 7.98028, 12.32247, 11.82991, 6.55232, 10.75698, 10.59674, 7.20206, 11.18262, 11.80432, 7.62977, 12.61882, 9.42117, 8.24438, 13.00564, 10.59496, 6.82349, 11.43113, 9.42307, 9.62167, 13.46098, 10.60993, 8.24947, 12.80733, 8.05509, 9.14659, 12.51372, 12.77275, 7.56808, 10.00273, 12.56564, 7.05604, 10.71947, 8.18006, 6.29156, 9.26905, 10.6601, 10.19191, 13.04533, 11.78853, 7.99033, 11.42106, 7.45762, 7.18995, 8.89748, 11.84284, 8.61001, 10.01143, 13.64145, 6.73823, 9.26708, 7.99516, 9.53543, 11.29195, 13.68812, 9.71553, 13.38103, 8.0063, 10.37801, 13.82799, 9.37008, 6.44557, 8.45588, 9.31979, 8.99623, 10.71526, 6.76172, 11.51536, 12.55436, 11.77786, 8.04852, 7.77768, 11.79635, 11.01803, 10.79518, 13.56401, 11.89863, 13.38176, 9.3337, 10.7656, 12.49451, 7.25053, 9.55034, 8.73678, 13.7003, 7.78695, 8.43558, 7.14584, 7.45877, 7.25971, 9.36389, 10.29217, 11.13108, 6.89432, 11.78139, 11.38375, 12.43263, 8.8925, 9.24387, 6.39724, 12.50742, 12.8341, 10.66225, 9.15146, 7.52018, 12.80778, 8.30965, 7.20733, 10.58143, 11.0406, 9.21986, 13.65733, 12.14161, 12.56076, 8.0204, 8.23106, 7.19064, 7.98887, 10.40875, 8.76534, 6.44721, 13.40282, 11.51998, 10.65388, 11.12497, 9.97548, 6.96177, 9.68289, 6.82426, 10.55653, 12.71503, 10.64064, 11.65208, 10.24904, 6.76295, 11.94115, 12.08513, 8.48747, 12.73715, 12.97692, 11.22872, 8.06265, 9.74935, 6.7852, 8.0665, 10.82271, 7.43986, 7.13286, 13.78887, 10.80762, 9.33417, 12.7336, 9.30547, 11.67089, 11.75047, 7.12908, 12.0332, 12.27463, 9.98137, 7.64154, 10.38059, 6.79558, 9.41816, 13.02662, 8.76272, 8.03015, 13.43032, 8.46209, 10.66825, 11.86092, 6.73062, 9.3427, 12.60958, 7.11511, 10.66053, 12.20719, 7.43217, 7.97292, 13.80408, 9.18894, 9.33546]]}, "stress": {"__ndarray__": [[6], "float64", [0.00013622717818152799, 0.0001357777895244644, 0.00013305025003645344, 1.903660283394394e-06, 1.135954660910753e-06, -9.181259924174273e-06]]}, "unique_id": "c9f4716156f4819b362fa26836e6ffba", "user": "hecc"}, "ids": [1], "nextid": 2}