{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -661.16593603}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.38201638430761, "energy": -661.16593603, "forces": {"__ndarray__": [[96, 3], "float64", [0.002199, 0.001056, 0.001838, 0.002269, 0.000498, -0.000572, 0.001184, 0.001564, 0.002928, -0.002574, -0.001347, 0.000261, -0.001591, -0.001005, -0.000983, 0.000362, 0.001241, 0.001057, 0.000911, -0.001002, 0.000565, -0.001912, 0.002558, 0.001494, 0.000321, -0.000732, -0.000474, -0.001759, -0.000828, -0.000948, 0.000251, -0.001665, -0.002792, 0.00059, -0.000564, 0.000173, -0.000723, -0.001663, 0.001657, 0.002375, -0.002107, -0.00138, -0.000718, 0.00045, 0.000545, 0.00127, -0.002268, -0.001657, 0.00115, 0.000144, 0.001555, -0.000883, -0.001745, 0.000414, 0.001777, -0.0035, -0.002916, 0.000548, 0.00066, -0.002972, -0.00021, -0.001281, 0.000627, 0.002217, 0.001006, 0.000138, -0.001776, -0.000938, 0.000403, -0.004126, 0.000321, -0.000851, -0.002223, -0.000231, -0.00043, -0.00067, 0.001455, -0.000438, 0.000199, 0.001099, 0.003923, -0.00092, 0.001966, 0.001091, -0.001754, 0.001216, 0.001086, -0.001023, -0.001246, -0.000294, 0.001773, -0.000977, -0.000305, 0.0011, -0.002387, 0.000705, 0.00104, 0.002318, 4.7e-05, 0.00139, 0.001857, 0.001825, 0.000621, 0.001287, -0.001758, 0.001871, 0.002306, 0.000883, -0.000873, 0.005018, 0.002437, 0.00151, 0.005446, 0.000229, -0.001005, 0.002073, -0.000836, 0.000401, 7.3e-05, -0.001493, -0.003461, -0.000185, -0.003034, -0.003494, 0.001135, -0.000607, 0.002608, 6.3e-05, -0.007363, -0.003457, -0.001453, -0.002669, -0.001665, -0.002707, -0.000803, 0.001948, -0.000767, -0.002072, -0.002679, 0.000493, -0.002966, 0.002027, -0.001057, 0.001017, 0.001395, -0.000418, 0.001929, -0.008049, 0.000185, 0.002931, 0.001053, -0.002401, -0.001326, -0.002405, -0.003144, 0.000309, -0.00534, 0.000358, 0.00351, 0.001339, 0.001311, 0.004195, 0.001142, 0.002794, -0.001853, -0.003066, -9.8e-05, 0.008394, 0.002507, 0.001237, -0.007229, 0.000596, 0.003003, 0.001371, -0.000872, -0.007557, 0.004023, -0.000223, 0.003206, -0.001442, -0.00108, 0.001251, -0.002804, 0.001264, -0.002273, 0.000503, -0.000791, -0.002283, -0.000112, -0.004133, 0.000856, 0.003329, -3.1e-05, 0.000583, -0.001552, 0.00302, 0.001345, 0.001184, 0.003405, 0.002785, -0.001032, -0.000486, -0.001054, -0.00081, -0.00115, -0.003373, -0.001279, -0.00343, 0.001671, -0.001762, -0.000365, -0.00295, -0.001321, -0.001886, -0.001517, 0.000963, 0.002175, -0.000785, 0.001598, -0.000832, 0.001647, -0.001981, -0.001588, -0.003412, -0.001525, -0.000541, 0.000714, -0.001543, -0.001651, -0.000868, 5.3e-05, 0.001409, -0.000132, -5e-06, 0.002711, -0.000526, 0.002369, 0.000939, 0.000874, 0.003542, 0.002044, -0.001353, -0.003303, 0.001616, -0.000593, 0.00083, 0.002475, 0.0013, 0.003012, 0.001906, 0.003395, 0.003142, 0.002345, -0.001376, 0.000919, 0.002439, -0.001605, 0.002156, 0.001312, -0.002617, -0.00222, -0.000997, -0.002194, -0.005847, -0.001978, 0.002207, -0.002445, 0.001513, -0.000732, -0.001733, 0.00305, 0.002345, 0.000708, 0.000896, -0.000154, 0.005159, -0.002164, 0.001605, 0.000757, 0.004131, 0.002145, -0.004521, 0.002642, 0.003986, 0.003177, -0.000681, -0.003037, 0.001292]]}, "key_value_pairs": {"perms_number": 1}, "mtime": 25.586070111890145, "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", [10.14312, 14.25894, 12.54718, 12.81058, 6.77013, 7.4001, 7.01158, 6.31259, 9.16004, 5.28335, 9.21989, 10.90778, 11.13401, 11.13382, 14.65888, 12.93945, 8.21314, 13.44972, 5.80918, 9.01538, 7.35094, 6.67555, 13.41562, 9.0533, 11.12255, 13.25533, 6.6201, 8.71036, 9.02663, 5.28933, 7.3897, 13.21391, 12.70096, 13.8675, 11.67527, 7.28922, 8.97919, 6.90914, 13.78763, 12.46644, 5.77227, 9.35329, 5.98321, 11.54401, 12.31136, 5.81594, 11.12965, 7.66955, 12.32254, 6.37528, 12.36043, 12.95049, 11.86099, 13.55458, 7.33109, 12.0522, 6.34243, 7.1576, 6.73012, 12.38558, 11.19641, 8.88498, 14.67034, 12.24738, 14.04826, 8.93052, 6.82229, 9.92985, 13.68299, 10.57117, 11.45511, 5.36479, 5.50701, 7.9195, 9.19978, 13.81618, 8.68066, 7.30097, 10.26785, 5.24561, 9.17383, 7.70724, 14.31963, 10.79315, 14.88547, 11.01054, 9.16932, 7.3477, 7.77693, 6.46564, 10.26688, 5.65859, 12.38403, 10.83409, 6.80324, 6.37795, 13.32074, 13.71135, 10.75617, 12.24569, 13.7241, 12.64513, 14.67744, 8.80368, 9.414, 14.43214, 11.84985, 11.10366, 7.88563, 12.5125, 12.00623, 6.76969, 10.68627, 10.54895, 6.97747, 11.25096, 11.92667, 7.50608, 12.7413, 9.34064, 8.13544, 13.31285, 10.65927, 6.96925, 11.33583, 9.41164, 9.64744, 13.43747, 10.62338, 8.43019, 12.57168, 8.1561, 9.28964, 12.28029, 12.53244, 7.41703, 9.98037, 12.74201, 6.79306, 10.76147, 8.03175, 6.37087, 9.23349, 10.63355, 10.26342, 13.30231, 11.99637, 7.8753, 11.53792, 7.17281, 7.16374, 8.81473, 11.83684, 8.86227, 9.96121, 13.11375, 6.71416, 9.20558, 7.94352, 9.67605, 11.1488, 13.13094, 9.72547, 12.90286, 8.23104, 10.33805, 13.31934, 9.4895, 6.48186, 8.41073, 9.31502, 8.9756, 10.71319, 6.63752, 11.78611, 12.91609, 12.06135, 7.85273, 7.50837, 11.98196, 11.06288, 10.80999, 13.6077, 11.82126, 13.11525, 9.38683, 10.80764, 12.42496, 7.29544, 9.63182, 8.85802, 13.21809, 7.86514, 8.43193, 7.19014, 7.54808, 7.26405, 9.35641, 10.36769, 11.22441, 6.43591, 12.17551, 11.57024, 12.82032, 8.92605, 9.23608, 6.36808, 12.60534, 12.88098, 10.68714, 9.17378, 7.48308, 12.86425, 8.34571, 7.10193, 10.61357, 11.04717, 9.21037, 13.62532, 11.9186, 12.11567, 8.27068, 8.49269, 7.53784, 8.21612, 10.37486, 8.86998, 6.71072, 13.45174, 11.55359, 10.68375, 11.14412, 9.99845, 6.83792, 9.62007, 6.68799, 10.62303, 12.80385, 10.73236, 11.75965, 10.23361, 6.69455, 11.99992, 12.11831, 8.50288, 12.77278, 13.09358, 11.27907, 7.99899, 9.75451, 7.0994, 8.2143, 10.79595, 7.53232, 7.21386, 13.81631, 10.81257, 9.33061, 12.70998, 9.40191, 11.72809, 11.71236, 7.20568, 11.96435, 12.32468, 10.05453, 7.56693, 10.35894, 6.33521, 9.36124, 12.98872, 8.8029, 8.03385, 12.9126, 8.67059, 10.51488, 11.88398, 6.7119, 9.34864, 12.21797, 7.51352, 10.55484, 12.17985, 7.45647, 7.98074, 13.66074, 9.23142, 9.36497]]}, "stress": {"__ndarray__": [[6], "float64", [8.920364842712351e-05, 0.0001228765901612637, 0.00011975583559832208, -2.0160074476602924e-05, -1.0254799493826194e-05, 2.0253697113491174e-05]]}, "unique_id": "5ef499a0bf707674afa20772edbab5ce", "user": "hecc"}, "ids": [1], "nextid": 2}