{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -664.69370867}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.369644574406344, "energy": -664.69370867, "forces": {"__ndarray__": [[96, 3], "float64", [-0.002112, -0.00033, 0.000275, -0.001753, 0.000742, 0.000136, -0.001869, 0.000347, -0.000111, -0.002068, -0.001523, 0.00077, -0.002045, 0.000266, 0.000754, -0.003553, -0.000312, 0.000828, -0.001317, -0.000861, 0.000773, 0.001635, 0.001298, -0.002226, 0.003818, -0.001071, -8.9e-05, 0.003115, -0.000344, -0.001284, -0.002465, -0.002735, 0.001909, -0.001669, -0.000533, 0.000182, 0.000475, -0.000747, -0.000156, -0.000985, -0.000257, 0.000569, 0.000877, 0.000575, 0.000117, 3.7e-05, -0.001288, 0.003057, -0.002702, -0.001192, -0.002081, 0.000786, 0.001537, -0.001266, 0.000343, -0.000668, -0.002346, 0.001567, 0.00014, -0.000671, -0.001741, 0.001002, -0.001219, 0.000328, 0.000927, 0.000927, 0.001272, -0.000841, 0.000412, 0.000645, -0.002182, 4.8e-05, 1.3e-05, 0.002523, -0.001705, -7.6e-05, 0.002618, -0.002054, 0.001473, 0.003578, 0.000178, -0.002517, -0.001709, 0.002415, -0.000708, 0.000752, 0.002204, -0.0013, 0.000492, -2.9e-05, -0.000753, 0.001381, 0.000694, 0.000644, -0.00046, 0.000175, 0.000785, -0.001461, -9.9e-05, 0.000668, -0.000813, 0.000275, -4.7e-05, 0.001013, 0.001039, 0.001508, -0.000491, -0.000197, 0.000438, 0.003705, 0.000318, 0.00239, -0.002471, 0.004822, -0.002344, -0.003392, -0.004213, 0.000149, -0.001095, 0.002586, 0.002869, -0.002015, -0.001214, -0.001433, 0.002465, -0.004528, -0.001531, -0.003426, 0.002634, -0.000687, -0.004082, -0.000651, 0.004988, 0.002833, -0.000987, 0.004977, 7.7e-05, 0.002267, 0.001844, 9e-05, -0.002869, 0.001416, 0.001185, -0.001408, -0.003306, -0.000837, -0.004596, -0.00191, 0.001298, 0.007609, -0.004269, 0.000474, 0.00133, 0.001843, 0.000195, 0.000718, 0.00073, 0.000284, 0.003178, -0.002693, -0.002851, -0.001607, 0.000729, -0.000121, -0.001618, 0.001022, -0.003539, 0.001288, 0.000424, -0.001159, -0.000778, 0.00281, -0.003052, -0.004403, 0.003953, -0.001488, -0.001056, 0.005084, -0.001919, 0.000503, -0.004507, -0.001516, -0.001688, -0.003284, 0.001255, 0.000728, 0.003052, -0.00051, 0.002227, 0.000548, 0.001143, 0.000229, 0.001287, -0.000119, 0.004808, -0.001697, 0.000713, -0.002432, 0.00152, 0.001963, -0.00025, -0.000271, 0.0003, 0.001178, -0.003149, 0.000421, 0.000923, -0.003038, 0.003615, -0.000842, 0.003125, 0.000499, -0.004068, 0.002374, 0.000931, 0.000608, -0.000775, 0.000208, -0.000959, -0.005266, -0.001529, 0.002929, 0.000746, 0.000957, 0.003173, 0.003397, -0.008725, 0.001217, 0.000621, -0.001064, 0.002415, -0.003154, 0.001116, 0.001395, 0.003167, 0.000923, -0.002486, 0.001187, -0.000352, -0.000822, -0.004557, 0.000941, 0.000569, 0.000556, 0.003557, 0.001446, 0.002004, -0.001342, 0.000333, 0.000982, 0.002406, -0.00407, -0.000477, 0.009548, -0.00256, -0.000853, 0.002484, -0.002448, -0.003645, 0.002783, -0.002677, 0.008173, 0.000689, -0.003397, 0.001511, -0.003502, -0.000885, -7e-06, 2.1e-05, 0.00217, -0.002583, -0.003307, -0.001069, -0.003388, -0.001338, 0.00088, 0.004599, 0.003188, 0.004365, -0.001807, 0.000938, -0.001614, -0.001806, 0.00125, -0.000207, -0.002384, 0.000925, 0.001349]]}, "key_value_pairs": {"perms_number": 4}, "mtime": 25.083186723203585, "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", [6.59346, 13.44406, 9.19327, 7.50316, 14.10483, 11.01243, 9.57455, 14.81465, 11.01924, 7.72659, 13.4701, 7.31915, 6.53979, 10.20939, 13.52874, 5.18239, 9.22094, 10.81382, 5.97862, 8.35206, 12.60882, 8.2547, 10.02208, 14.72807, 5.86326, 9.25767, 7.43611, 9.40665, 11.83635, 14.52965, 9.66181, 14.29364, 7.38353, 10.54899, 14.93892, 9.15728, 5.46046, 7.99058, 9.13448, 7.19258, 6.68127, 12.60866, 11.41127, 11.02756, 14.68923, 12.55804, 14.19739, 9.36051, 10.99333, 13.05949, 6.2296, 9.48443, 8.33331, 14.72732, 7.24048, 7.9935, 6.34096, 6.68766, 6.30098, 9.13442, 12.81062, 12.04428, 13.37042, 8.82015, 9.14158, 5.38452, 9.13341, 6.6438, 13.52852, 7.77466, 5.65619, 10.81311, 11.5641, 8.87147, 14.52873, 12.79992, 13.3346, 7.39001, 8.01875, 6.2929, 7.43598, 14.03565, 11.63507, 7.38868, 14.78302, 11.13896, 9.35877, 13.21651, 10.001, 6.22826, 13.98045, 8.35317, 7.38233, 14.4492, 8.11007, 11.01713, 12.2247, 5.69869, 9.19477, 13.13342, 6.36076, 11.01379, 12.59997, 6.7665, 7.32094, 14.86817, 8.99894, 9.15625, 8.11006, 12.21779, 11.77311, 6.71121, 10.64172, 10.60581, 7.29501, 11.06483, 11.76927, 7.45979, 12.78108, 9.34433, 8.12167, 13.26199, 10.66614, 6.92601, 11.35744, 9.40713, 9.61486, 13.77544, 10.65632, 8.28683, 12.8089, 7.99914, 9.27172, 12.21789, 12.49626, 7.35202, 9.98771, 12.81371, 7.14607, 10.67221, 8.24326, 6.27649, 9.20587, 10.6631, 10.24735, 12.96643, 11.76925, 8.09784, 11.40345, 7.46887, 6.86235, 8.68115, 12.04725, 8.64791, 9.9853, 13.70371, 6.79552, 9.23529, 8.02782, 9.58054, 11.26163, 13.60292, 9.75711, 13.37287, 7.97335, 10.42492, 13.85908, 9.30924, 6.46228, 8.39557, 9.32824, 9.0422, 10.7293, 6.77198, 11.53203, 12.53946, 11.75338, 7.7783, 7.42032, 12.04707, 11.07619, 10.78381, 13.67263, 11.90917, 13.30329, 9.32763, 10.83773, 12.52458, 7.18415, 9.5697, 8.71913, 13.70307, 7.82585, 8.41852, 7.16676, 7.38262, 7.12847, 9.32825, 10.41482, 11.15062, 6.82357, 12.0852, 11.51617, 12.72048, 8.96612, 9.24707, 6.4778, 12.26209, 12.49257, 10.51698, 9.17176, 7.48478, 12.81338, 8.09656, 6.70207, 10.66253, 11.0708, 9.21391, 13.602, 12.21125, 12.59728, 7.95221, 8.28458, 7.18666, 8.0277, 10.39948, 8.86394, 6.77126, 13.07088, 11.38241, 10.51713, 11.22256, 10.04002, 6.82295, 9.59627, 6.67552, 10.60475, 12.89066, 10.67452, 11.75394, 10.17854, 7.10052, 11.76812, 11.88604, 8.62579, 12.49543, 13.15305, 11.30186, 7.95147, 9.75988, 7.07883, 8.24284, 10.74958, 7.75788, 7.46883, 13.73246, 10.79734, 9.32663, 12.90077, 9.32133, 11.7695, 11.52616, 7.52161, 11.77209, 12.66017, 10.01827, 7.18311, 10.34368, 6.65943, 9.40699, 13.13458, 8.72847, 7.97245, 13.47338, 8.47072, 10.65522, 11.86223, 6.72771, 9.34511, 12.52312, 7.20915, 10.66639, 12.14447, 7.50453, 8.00024, 13.8029, 9.2147, 9.308]]}, "stress": {"__ndarray__": [[6], "float64", [0.00015003339636798178, 0.00013089692938802368, 0.00013363695189428642, 5.167969556231337e-06, -9.967690074035566e-06, 1.3937289878097316e-05]]}, "unique_id": "fca4c1ada701514555789adbebc133f1", "user": "hecc"}, "ids": [1], "nextid": 2}