{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -527.19107778}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.351457670489754, "energy": -527.19107778, "forces": {"__ndarray__": [[60, 3], "float64", [0.000351, 0.001694, -0.001435, 0.001273, 0.001171, 0.000667, 0.00342, -0.005886, -0.002545, -0.002457, -0.000332, 0.001924, 0.003029, 0.000184, 0.002755, -0.001121, -0.002916, 0.000861, 0.001237, 0.001968, 0.001227, -0.000139, -0.002778, 0.000169, 0.000106, -0.00189, -0.000641, -3e-05, -0.001191, -0.0043, -0.001284, 0.003296, -0.000286, 0.00103, 0.001776, 0.000406, 0.002431, -0.002172, 0.000386, 0.001351, 0.000857, -0.00175, -0.002397, 0.003206, 0.000944, -0.003989, 0.001742, 0.002266, 0.005044, 5.4e-05, 0.000186, 0.002653, 0.001876, -0.000108, -0.001186, 0.000496, 0.001004, 0.002384, 1.1e-05, -0.000472, 0.001812, 0.000759, 0.000279, -0.000617, 0.00102, 0.002728, 0.001237, 0.000875, 0.002363, 0.000308, 0.003685, 0.00138, -0.000369, 0.00102, 0.003927, 0.00089, 0.002557, -0.000947, 0.00245, 0.004125, -0.000316, 0.001195, 0.001543, -0.00166, -0.002064, 0.00179, -0.003022, 0.000545, -0.002115, -0.002529, 0.003089, -0.003131, 0.002615, -0.002792, -0.002181, -0.001699, 0.001574, -0.002485, -0.00239, -0.002294, -0.00422, -0.001753, -0.001658, -0.003677, -9.6e-05, -0.00029, -0.003551, 0.000782, -0.001777, 3.9e-05, -0.000958, -0.000826, 0.001728, 0.001519, -0.001243, -0.001932, 8e-05, -0.000983, -0.000955, -0.003354, -0.001425, -0.00182, 0.000305, 0.001339, -5.1e-05, -0.001074, -0.001737, 0.000167, 0.001522, -0.002054, -0.003274, -0.002407, 0.002684, 0.00165, -0.00129, 0.001092, 0.001264, -0.002561, -0.002019, -0.000111, 0.000809, -0.00108, 0.001135, 0.004477, -0.002847, 0.001985, 0.003084, 0.000319, 0.000444, 0.000739, -0.001566, 0.003527, 0.002758, 0.003348, -0.001579, -0.000305, -0.000664, -0.002281, -0.00228, 0.000394, 0.000116, 0.001996, -0.003774, -0.000208, -0.004355, 0.001142, 0.000276, 0.002559, -0.001392, 0.003782, -0.000576, -0.000863, -0.000819, -0.000366, -0.000123, 0.000312, -0.000945, -0.000666, -0.000577, -0.000293]]}, "key_value_pairs": {"gap": 0.8773560000000002, "symmetry_op_number": 1}, "mtime": 25.586701412265132, "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", [13.60377, 9.22497, 9.38835, 11.96022, 11.39916, 12.58089, 8.99017, 9.27089, 6.67323, 12.33294, 12.58932, 10.59643, 9.24539, 7.73351, 12.55375, 8.25523, 6.98273, 10.59735, 10.98006, 9.28967, 13.3271, 11.97797, 12.29949, 8.17233, 8.4121, 7.399, 8.17276, 10.3723, 8.82409, 6.67116, 13.21181, 11.43468, 10.58815, 11.2285, 10.00026, 6.67836, 9.63306, 6.57847, 10.59325, 10.37032, 11.17226, 6.67769, 12.97715, 10.68477, 11.8353, 12.81968, 11.17876, 8.17609, 9.74538, 6.97861, 8.17602, 10.74245, 7.69149, 7.40309, 13.51415, 10.7744, 9.39285, 12.98581, 9.27078, 11.84222, 11.53521, 7.4613, 11.79521, 12.43093, 9.98881, 7.4003, 10.38814, 6.55845, 9.41635, 12.86423, 8.78276, 8.09421, 13.312, 8.4922, 10.66639, 11.76075, 6.98332, 9.39718, 12.3608, 7.40968, 10.60588, 11.93765, 8.58657, 12.59106, 11.99639, 7.68696, 8.13405, 8.00166, 12.30141, 11.83802, 9.60956, 8.83555, 13.31947, 6.55764, 10.72449, 10.60104, 7.17097, 11.17594, 11.83851, 7.64306, 12.59532, 9.41037, 8.24109, 13.02664, 10.60089, 6.78802, 11.42044, 9.41103, 9.62207, 13.47251, 10.60015, 8.40583, 12.59605, 8.17515, 9.23571, 12.30217, 12.60534, 7.55509, 10.001, 12.60267, 7.02496, 10.69242, 8.17393, 6.56008, 9.26854, 10.60179, 10.23952, 13.01769, 11.83373, 8.02307, 11.42114, 7.41142, 7.64509, 7.39535, 9.40326, 7.17585, 8.82842, 11.83736, 8.74468, 10.00155, 13.3399, 7.02298, 9.29354, 8.16861, 9.60706, 11.17539, 13.34367, 9.73843, 13.02511, 8.1752, 10.35846, 13.47273, 9.4094, 6.79184, 8.56608, 9.40961, 8.98959, 10.7231, 6.67803, 11.56788, 12.57998, 11.82403, 8.01333, 7.70124, 11.82223, 10.99067, 10.72905, 13.34854, 11.73988, 13.02575, 9.4063, 10.73808, 12.29996, 7.41294, 8.02309, 8.57077, 7.40475, 10.23017, 7.03334, 11.79563]]}, "stress": {"__ndarray__": [[6], "float64", [5.272826909546177e-05, 4.075705459201768e-05, 5.079340126643795e-05, -4.937033718573657e-06, 7.0903543670033814e-06, -5.554943122036099e-07]]}, "unique_id": "e9ce1e9d7f29a81cf61a373c55631ed7", "user": "hecc"}, "ids": [1], "nextid": 2}