{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -663.05067249}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.369651340245483, "energy": -663.05067249, "forces": {"__ndarray__": [[96, 3], "float64", [0.000564, -0.001711, -0.000475, 0.000556, -0.000464, -0.000663, 0.000192, -0.00193, 0.000155, -0.000332, 7.2e-05, -0.000317, -0.000174, 0.00018, -0.00181, -0.000886, -0.0017, 0.0002, 0.000368, -0.001132, 5.1e-05, -0.000258, 0.000142, -0.000945, 0.000786, -0.000324, -0.000727, -0.000396, 0.001444, 0.00113, -0.003374, 3.2e-05, -0.000741, -0.001239, -0.000714, 0.000324, -0.001357, 0.00166, -0.001396, -0.000747, 0.001582, 0.00019, -0.000289, 0.001599, -0.001351, -0.000497, -0.001828, -0.000728, 3e-06, 0.001394, -0.0014, 0.000301, -0.000272, -0.000107, -0.00034, -0.000383, 0.000176, -0.000266, 0.001257, 0.000544, 0.000422, 0.001478, 0.000209, -0.001639, 0.002098, -6.3e-05, -0.001193, 0.00073, 5.4e-05, -0.000284, 0.001913, 0.002, 0.001472, -0.001419, 0.001227, 0.00096, -0.000472, -0.000875, 3.2e-05, 0.000605, -0.00016, 0.001578, -0.000247, -0.000784, 0.000216, -0.000966, 0.001129, 0.000934, -1.5e-05, 0.000399, -0.001152, -0.000794, 0.001991, -0.000579, 0.001297, -0.001297, 0.000188, 0.00211, 0.001682, 0.000753, 0.001071, -0.000319, 0.001035, -0.000337, 0.000864, 0.000752, 0.000507, -0.000453, -0.003743, -0.002652, 0.000794, -0.001281, 0.000598, -0.001427, 0.003966, 0.004755, 0.001792, -0.000553, -0.001296, 0.002365, -0.001404, 0.000785, -0.004961, -0.000136, 0.000884, -0.001802, 0.002543, 0.000673, 0.003011, -0.000746, 0.001188, -0.00184, -0.001123, 0.00046, 0.000831, -0.001641, -0.000871, 0.001183, -0.000523, 0.000161, -0.001565, -0.000807, -0.002394, -0.003334, -0.00057, -0.001135, 0.000824, 0.002858, -0.00264, 0.001119, 0.000517, -0.002161, -0.003633, 0.00225, -0.00075, 0.001196, 0.002184, -0.004086, 0.000278, -0.002682, -0.000789, -0.001087, 0.000572, 0.000905, 0.000384, -0.000461, -0.001009, -0.002147, -0.005306, 0.006032, 0.001597, -0.003097, 0.000177, -0.001823, -0.000518, 0.002057, 0.001675, -0.00019, -0.000136, 0.002245, -0.002113, -0.000808, -0.00203, -0.000281, -0.004059, -0.002544, 0.001325, -0.004025, -0.003303, -0.006923, 0.003678, 0.001427, 0.001646, -0.00201, 0.000705, 0.005864, -0.005084, 0.000622, 0.000564, 0.00066, 0.001163, -0.001137, 0.000719, -0.001666, -0.000218, -0.000682, 0.000518, -0.001767, 0.000251, -0.000164, 9.9e-05, 0.000612, 0.000448, -0.000427, 0.002033, 0.001082, 0.002576, 0.005819, -0.000109, -0.003442, 0.0003, 0.003159, -0.000348, 0.00172, 0.003163, 0.001024, -0.001052, 0.003518, -0.000546, -0.00068, -0.001154, 0.001463, -0.001503, 0.000984, 0.000985, -0.000857, -0.002369, 0.000275, -0.002381, -0.000626, 0.001824, 0.001927, 0.001878, -0.001282, 0.001021, 3.7e-05, 0.000523, -0.000599, 0.001932, 0.000588, 0.00058, -0.001047, 0.002054, -0.001144, 0.00021, 0.001815, 0.003002, 2.2e-05, 0.000873, 0.000564, -0.000426, 0.002489, -0.001565, 0.001455, 0.000376, -0.000847, 4.7e-05, 0.001055, 0.001129, 0.000698, -0.000407, -0.002489, -0.00183, 0.00071, -1.3e-05, -7.7e-05, 0.002499, -0.000556, 0.001058, -0.000437, -0.000684, 0.000168, 0.000554, 0.001703, -0.001549, 0.001926, 0.0001, 0.00121]]}, "key_value_pairs": {"perms_number": 3}, "mtime": 25.077457879967586, "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", [7.79908, 13.78355, 7.56559, 8.78483, 13.15279, 13.69753, 5.12358, 9.09034, 10.69127, 10.2014, 14.42598, 12.42365, 6.99664, 11.95479, 6.44108, 6.01048, 8.55483, 12.73562, 8.56133, 11.05773, 5.24143, 12.23994, 13.72644, 12.63252, 7.13844, 6.70989, 12.61243, 10.57004, 11.90797, 5.53563, 12.48135, 11.86293, 13.77844, 8.38185, 8.87973, 5.45375, 13.15247, 13.76889, 10.63552, 8.97071, 6.98461, 13.79254, 7.39658, 5.90075, 10.58148, 10.48519, 8.37771, 5.27331, 14.48935, 12.07544, 10.87023, 11.67093, 10.07962, 5.29229, 9.37682, 5.11658, 10.85522, 14.11067, 11.05501, 12.6359, 10.28888, 5.72434, 12.61597, 12.46427, 8.21775, 13.75531, 13.65698, 11.89996, 7.47467, 9.32335, 5.92752, 7.48514, 11.00439, 6.7306, 6.38113, 14.78689, 11.05217, 9.11704, 14.10499, 9.00888, 12.60743, 12.22824, 6.39292, 12.61247, 13.40067, 10.06006, 6.38632, 10.47167, 5.13547, 9.12577, 13.90568, 8.3909, 7.44223, 14.44648, 8.02359, 10.85455, 12.40996, 5.76846, 9.16504, 13.26492, 6.38417, 10.84827, 12.74781, 6.78017, 7.44882, 14.76979, 9.00774, 9.1612, 7.94426, 12.38764, 11.82751, 6.5038, 10.78774, 10.64226, 7.13208, 11.22059, 11.81357, 7.55519, 12.63535, 9.41302, 8.17978, 13.05313, 10.62088, 6.76143, 11.48503, 9.43039, 9.57577, 13.48156, 10.63207, 8.18513, 12.85687, 8.02905, 9.11029, 12.58008, 12.80953, 7.52359, 10.02748, 12.55926, 7.02457, 10.75919, 8.19057, 6.21292, 9.27959, 10.69088, 10.20374, 13.4056, 12.00507, 7.74962, 11.59739, 7.16328, 6.85055, 8.77211, 12.05484, 8.7425, 10.03974, 13.14603, 7.13985, 9.41358, 8.27735, 9.59197, 11.21951, 13.15831, 9.65377, 12.89921, 8.24166, 10.2737, 13.33727, 9.48195, 6.89075, 8.68499, 9.51121, 8.84819, 10.82956, 6.27677, 11.74013, 12.93789, 12.05405, 7.74842, 7.43803, 12.06108, 10.87452, 10.77131, 13.03974, 11.6345, 12.84181, 9.50683, 10.57589, 12.12439, 7.60242, 9.59401, 8.86922, 13.08797, 8.1773, 8.7178, 7.54394, 7.78483, 7.65563, 9.53838, 10.34342, 11.28319, 6.4189, 12.06879, 11.59139, 12.78949, 8.88218, 9.24824, 6.36822, 12.52169, 12.86185, 10.67823, 9.13339, 7.4983, 12.82707, 8.07013, 6.77192, 10.67793, 10.87328, 9.32376, 13.00485, 11.79725, 12.09835, 8.37947, 8.57052, 7.67369, 8.32228, 10.38081, 8.74658, 6.30201, 13.50464, 11.62298, 10.69441, 11.29419, 10.029, 6.3218, 9.53629, 6.19024, 10.69339, 13.22414, 10.83453, 12.02775, 10.21305, 6.65402, 12.03689, 12.06003, 8.49939, 12.76454, 12.96256, 11.27031, 8.06257, 9.70989, 6.79232, 8.05713, 10.79709, 7.47639, 7.15981, 13.73885, 10.81842, 9.34593, 13.21317, 9.2484, 12.01398, 11.7176, 7.16397, 12.02065, 12.63349, 10.02492, 7.17066, 10.3754, 6.20604, 9.34812, 13.03871, 8.75573, 8.00601, 13.45924, 8.46506, 10.67288, 11.86758, 6.70344, 9.35021, 12.53464, 7.18352, 10.67418, 12.12608, 7.49157, 8.00545, 13.7151, 9.24333, 9.34716]]}, "stress": {"__ndarray__": [[6], "float64", [0.00011795203946094182, 0.0001371634045504105, 9.200608602464512e-05, 4.612475244027728e-06, 8.987773141271892e-06, -1.3856150259460834e-06]]}, "unique_id": "6a44f369ab1c265c28c44d22734bba10", "user": "hecc"}, "ids": [1], "nextid": 2}