{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -662.98036267}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.369650339222282, "energy": -662.98036267, "forces": {"__ndarray__": [[96, 3], "float64", [-0.001162, -0.002049, -0.002583, 0.001266, 0.001388, -0.001811, 0.002212, -0.000271, 0.000522, 0.000857, 0.001251, -0.001007, -0.001777, -0.001372, -0.000456, -0.002439, -0.000187, -0.000741, -0.000668, -7.7e-05, 0.000523, 0.000267, -0.00019, -0.003066, 0.000879, 0.001231, -0.000967, -0.000544, 0.002711, -0.001213, -0.001358, -0.001193, 0.001022, -0.002266, -0.00184, -0.002119, -0.001458, 0.001355, -0.000488, -0.000503, 0.001796, -9e-05, -0.000855, -0.000445, 0.0033, -0.001546, 0.001606, -0.002447, -0.002429, -0.000458, 0.000365, 0.00095, 0.004135, 0.002696, -0.001253, -0.001881, 0.000365, 0.000544, 0.000853, 0.001862, -0.000191, 0.00134, -0.003162, 0.000658, 0.000227, 0.000785, 0.000962, 0.000769, -0.001911, 0.000378, -0.000168, 0.000708, -0.000572, 0.000881, 0.000665, -0.002115, 0.002154, 0.000911, 0.001125, 0.00066, 0.000234, -0.001025, 0.000942, 0.000449, -0.001408, -0.000834, 0.001398, 0.000919, -0.000832, 0.001304, -0.001221, -0.000779, 0.001641, 0.000476, -0.001123, -0.000871, 0.002034, 0.000853, 0.00048, -9.7e-05, -0.000413, 0.001455, -0.00102, 2.9e-05, 6.5e-05, -0.000946, 0.001566, 0.000493, 0.003783, 0.002511, -0.000966, -0.000141, 0.000811, 0.003465, -0.002972, -0.005998, -0.002665, -0.000596, 0.00269, 0.002734, -0.001328, -0.001539, -0.001522, 0.002134, 0.001449, -0.003404, -0.003269, -0.003029, 0.000587, -0.002168, -0.003657, -0.000366, 0.001236, 0.00041, -0.005664, -0.002456, 0.00444, -0.000472, -0.002964, -0.000757, 0.004815, 0.001694, 0.001119, 0.005253, 0.001544, 0.000383, 0.000777, 0.001407, 0.002839, -0.003157, -0.001986, -0.002532, 0.00076, -0.001622, 0.000166, -0.000471, -0.00121, 0.004886, 0.002651, -0.002117, 0.001415, -0.002047, -0.00167, 0.002299, 0.003648, 0.000211, 0.000257, -0.001158, -0.001189, 0.002492, 0.001272, 0.00033, -0.003199, -0.000717, 5.6e-05, 0.000935, -0.001792, 0.002401, 0.003143, 0.003156, 0.001924, 0.001515, 0.000647, -0.00547, -0.000336, 0.003187, -0.001249, 0.002015, -0.000966, -5.1e-05, 0.001555, -0.002599, 0.003643, 0.001544, 0.001744, -7.9e-05, -0.001306, 0.003471, -0.001732, -0.000756, -0.003614, 0.002208, 0.000552, 0.001973, 0.005105, -0.002757, 0.00208, -0.000474, 0.000919, -0.003745, 0.004387, -0.003109, -0.003163, 7.5e-05, -0.004883, -0.00391, 0.001206, -0.001116, 0.00132, 0.003001, 0.000338, -0.000317, -3.4e-05, -0.001534, -0.000388, -0.002194, 0.003921, 0.001827, 0.002254, -0.007734, 0.003279, 0.001215, -0.001966, 0.001767, 0.002884, -0.000373, -0.002039, -0.001533, 0.001555, -0.003005, -0.002619, 0.000509, 0.001029, 0.001964, -0.000894, -0.001132, -0.002003, -0.003353, -0.001878, 0.001579, -0.001941, -0.000391, 0.002286, -0.004194, 0.001356, 0.001551, -0.002621, 8e-06, -0.003124, -0.002599, 0.001618, 0.003182, -0.000882, -0.000989, 0.000452, -0.000397, 0.003245, -0.000168, 0.002552, -0.003341, 0.001254, 0.00033, -0.003371, 0.002192, 0.002924, -0.000756, -0.000225, -0.001486, 0.002392, 0.001321, 0.0001, 0.001187, 0.000336, -0.000624, -0.000337, 0.001155, 0.001364, 0.000781]]}, "key_value_pairs": {"perms_number": 3}, "mtime": 25.586841810939806, "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", [7.59738, 13.53828, 7.47111, 8.89312, 13.37417, 13.47566, 5.21762, 9.11659, 11.00932, 8.08271, 9.9857, 14.59269, 5.82608, 9.21497, 7.40295, 9.39246, 11.69773, 14.73197, 9.59462, 14.34397, 7.42864, 10.42498, 14.91562, 9.33916, 5.41107, 8.02848, 9.1603, 11.49549, 11.16227, 14.61376, 12.49819, 14.14889, 9.45369, 10.9572, 13.13491, 6.24284, 9.33138, 8.16362, 14.46418, 7.43649, 8.22038, 6.25524, 6.71937, 6.30169, 9.33987, 11.33517, 9.01332, 14.76779, 12.75513, 13.35342, 7.42077, 7.6648, 6.35629, 7.39818, 11.35845, 9.94923, 5.49958, 9.40541, 5.45709, 11.05734, 13.89003, 11.21212, 12.34607, 12.77422, 7.97164, 13.67447, 13.98382, 11.66644, 7.41618, 9.64739, 5.70722, 7.39882, 10.97474, 6.98444, 6.24369, 14.73945, 11.14527, 9.38808, 14.15588, 9.12595, 12.58261, 11.96108, 6.29165, 12.55884, 13.31769, 10.01047, 6.29831, 10.45018, 5.10695, 9.2501, 13.94583, 8.36519, 7.40717, 14.50038, 8.00799, 10.86208, 12.43643, 5.71902, 9.16514, 13.30018, 6.34478, 10.88328, 12.75861, 6.72749, 7.4077, 14.83037, 9.01638, 9.13956, 7.92349, 12.36109, 11.84951, 6.49435, 10.79431, 10.60433, 7.14726, 11.22202, 11.81857, 7.57685, 12.66603, 9.43266, 8.18762, 13.05006, 10.60805, 6.76567, 11.47164, 9.43428, 9.5817, 13.46382, 10.6065, 8.2184, 12.8407, 8.06522, 9.10744, 12.53371, 12.78795, 7.55435, 10.03735, 12.55716, 7.03546, 10.73612, 8.20931, 6.25304, 9.29405, 10.65998, 10.135, 13.01318, 11.78033, 7.99025, 11.44334, 7.5203, 7.18856, 8.94924, 11.80331, 8.61803, 10.03702, 13.62912, 6.73598, 9.26663, 8.02491, 9.52511, 11.31961, 13.71009, 9.69247, 13.40544, 7.98926, 10.35453, 13.8146, 9.35659, 6.40882, 8.45287, 9.3313, 9.06342, 10.74153, 6.93324, 11.40891, 12.40923, 11.74427, 8.10155, 7.8838, 11.65975, 11.03982, 10.82194, 13.66458, 11.83654, 13.27096, 9.34556, 10.78031, 12.56838, 7.17674, 9.57543, 8.78281, 13.58251, 7.85752, 8.47683, 7.24368, 7.38123, 7.18839, 9.34839, 10.34381, 11.20321, 6.8342, 11.81151, 11.37369, 12.53677, 9.06902, 9.28924, 7.0084, 12.12069, 12.36479, 10.47703, 9.3609, 7.94475, 12.38525, 8.25236, 7.12528, 10.5355, 11.06441, 9.23966, 13.72778, 12.15453, 12.61106, 7.96314, 8.17736, 7.13398, 7.9802, 10.34175, 8.8595, 6.94969, 12.95814, 11.3133, 10.48936, 11.2414, 10.01732, 6.60435, 9.59947, 6.45828, 10.6116, 13.00209, 10.7311, 11.87812, 10.27881, 7.22612, 11.71515, 12.17006, 8.43125, 12.88152, 13.10344, 11.30995, 7.96628, 9.70961, 6.6384, 7.97682, 10.7928, 7.49109, 7.21084, 13.6919, 10.79196, 9.3346, 13.22033, 9.22197, 12.01625, 11.7169, 7.21038, 11.99193, 12.66105, 10.02094, 7.17816, 10.39084, 6.20051, 9.32649, 13.08681, 8.72624, 7.98595, 13.50782, 8.43422, 10.67172, 11.90601, 6.66353, 9.33743, 12.58924, 7.15572, 10.67862, 12.16252, 7.44019, 7.99229, 13.76606, 9.21592, 9.31949]]}, "stress": {"__ndarray__": [[6], "float64", [0.00013509746502974313, 0.00013112162371655547, 0.00013829935921132124, 9.967690074035566e-06, 1.0042588183546163e-05, 4.9932073007066075e-08]]}, "unique_id": "8058c206689017ae68a346329b74fa5d", "user": "hecc"}, "ids": [1], "nextid": 2}