{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -655.99810384}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.382020548075708, "energy": -655.99810384, "forces": {"__ndarray__": [[96, 3], "float64", [-0.000537, -0.000444, -0.000752, 0.000678, -0.002514, 0.002206, 0.001906, -0.000178, -0.001924, 0.0002, -0.0024, 0.00091, 0.001001, 0.000869, -0.005932, -0.002768, 0.001894, 0.00835, 0.004584, -0.003762, 0.004163, 0.005152, 0.003405, 0.000711, -0.005506, 0.009594, 0.002529, 0.002499, -0.002239, -0.000478, -0.00399, -0.001726, -0.002899, -0.002021, 0.001566, 0.001119, 0.002579, 0.00113, 0.001839, 0.002066, -0.001319, -0.001427, -0.001612, -0.002557, 0.000198, 0.004594, -0.000114, 7e-05, -0.004038, 0.002846, -0.00123, 0.002696, 0.001586, -0.004048, -0.007862, -0.000906, 0.000689, -0.0028, -0.005744, 0.003213, -7e-05, -0.0001, -0.003344, -0.001076, -0.004032, -0.003971, -0.002174, -0.003097, -0.001941, -0.000457, 0.000332, -0.001959, 0.003076, 0.000422, 0.00638, -0.002031, -0.000613, 0.000103, -0.00128, 0.005115, 0.000901, -0.001045, 0.000657, -0.002333, 0.00127, 0.005616, 0.004218, -0.004269, -0.000848, 0.001478, 0.001421, -0.000355, -0.002485, 0.007014, -0.000831, -0.004915, 0.002417, -0.001994, 7e-06, -0.001939, 0.00089, -0.000661, -0.001199, 0.001262, 0.000322, 7e-06, 0.001867, -0.001054, 0.005981, -0.005063, 0.004192, 0.002111, -0.004108, 0.005412, -0.006564, 0.011031, -0.001265, -0.000427, 0.002319, 0.003198, 0.004308, 0.011267, 0.003437, 0.007275, 0.008109, -0.000283, 0.006349, -0.004166, -0.015981, 0.003105, 0.000743, -0.001134, 0.003883, 0.000563, -0.001561, -0.005632, -0.005665, -0.004276, 0.001404, -0.000121, -0.001155, -0.001928, -0.004849, 0.00594, -0.006442, -0.000324, 0.01302, 0.0039, 0.001189, 0.000663, 0.001316, 0.008661, 0.00156, -0.003466, -0.002521, -0.002674, -0.000409, -0.000845, 7.3e-05, -0.000643, 0.00078, -0.004611, 0.000667, 0.003831, 0.000181, -0.000227, -0.001429, -0.001744, 0.004564, -0.006276, 0.000315, 0.001807, -0.004134, 0.001587, -0.005054, 0.001246, 0.002046, 0.000715, -0.001281, -0.012077, 0.001438, -0.002948, -0.000562, 0.005418, 0.000615, -0.0028, -0.006561, 0.004435, 0.001951, 0.004503, 0.00211, 0.000186, -0.001058, -0.003049, 0.003343, 0.009535, 0.005822, 0.00445, 0.00346, -0.001943, -0.001254, -0.003245, 0.000467, -0.002889, 0.00305, 0.008226, -0.003579, 0.002574, 0.004169, -9.1e-05, 2.9e-05, -0.002025, 0.001852, 0.003584, 0.0029, 0.000123, -0.00124, -0.004329, -0.005565, -0.003405, 0.000152, 0.001185, -0.001951, -0.003966, 0.005981, 0.001977, -0.000397, 0.003202, 0.001103, -0.004912, -0.007503, -0.006016, -0.008328, -0.002822, -0.003987, -0.006487, -0.003983, 0.000311, 0.008039, -0.006758, -0.007123, -0.000331, 0.001542, 0.002946, 0.001477, -0.000313, 0.000457, 0.007682, -0.000713, -0.003493, 0.005308, 0.002093, -0.004463, -0.008088, -0.000712, -0.001177, -0.00434, 0.004376, -0.002723, -0.004629, 0.00084, 0.004879, -0.008201, 0.001914, -0.010068, 0.00423, 0.004421, -0.006042, -0.004133, 0.003343, 0.008497, -0.000142, 0.002244, -0.004772, -0.004716, -0.001474, -0.002802, -0.004115, 0.003843, 0.005838, -0.001961, -0.01013, 0.002139, 0.006127, 0.006375, -0.004692, 0.005046, 0.004971]]}, "key_value_pairs": {"perms_number": 1}, "mtime": 25.10142355841678, "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", [9.35038, 8.06812, 14.27099, 14.04951, 8.3563, 7.4506, 12.24687, 6.55173, 12.67675, 12.16443, 13.76967, 12.49652, 8.2879, 10.08918, 14.58649, 10.47189, 8.37066, 5.43005, 10.127, 5.7768, 12.48679, 5.17575, 9.2084, 10.81114, 13.41268, 6.52196, 10.82673, 14.30598, 10.79021, 12.47068, 14.33067, 8.53357, 10.84894, 11.02894, 11.10776, 14.6691, 12.31434, 14.21293, 9.28737, 12.7752, 12.05144, 13.80467, 12.95898, 8.53059, 13.11399, 5.93156, 11.11377, 7.29785, 10.94018, 13.15342, 6.36055, 12.95652, 12.94979, 7.48926, 14.67213, 11.06609, 9.41871, 7.48042, 6.80717, 12.73805, 13.47729, 13.04842, 10.77648, 12.55805, 6.75424, 7.24208, 10.15756, 5.4427, 9.49264, 8.98473, 13.12452, 13.60504, 12.32288, 5.71929, 9.16547, 6.71678, 6.30547, 9.14431, 6.81843, 13.74143, 9.32327, 7.91743, 13.59733, 7.36675, 7.98197, 6.43955, 7.35106, 7.94999, 5.67053, 10.77609, 5.95367, 8.96452, 7.28105, 13.31732, 10.22932, 6.2709, 6.12397, 8.52439, 12.65435, 11.39964, 8.91637, 14.5935, 5.45009, 11.95641, 9.30872, 5.43576, 7.98694, 9.12565, 8.02036, 12.32914, 11.78749, 6.65261, 10.68863, 10.51948, 7.3098, 11.08586, 11.68139, 7.45869, 12.84605, 9.36624, 8.28757, 12.95884, 10.61262, 6.48991, 11.57379, 9.3386, 9.69231, 13.33932, 10.63008, 8.31138, 12.81024, 8.04136, 9.20623, 12.45303, 12.73093, 7.6322, 9.9853, 12.47613, 6.75492, 10.8286, 7.97445, 6.26557, 9.2424, 10.60735, 10.27885, 13.02062, 11.828, 8.03241, 11.44616, 7.4595, 6.94728, 8.75315, 11.94874, 8.68504, 10.01721, 13.53399, 6.75926, 9.23264, 7.98395, 9.63316, 11.10671, 13.13698, 9.79799, 12.99607, 8.22371, 10.3935, 13.31902, 9.38834, 6.43239, 8.41282, 9.30137, 8.99167, 10.7357, 6.82924, 11.75093, 12.85367, 12.0367, 7.86819, 7.50259, 11.96509, 11.01609, 10.81402, 13.58545, 11.88182, 13.20033, 9.3833, 10.8248, 12.47856, 7.23117, 9.58966, 8.76053, 13.43113, 8.01406, 8.60556, 7.43634, 7.38843, 7.15434, 9.32633, 10.39934, 11.11984, 6.77488, 12.21904, 11.62627, 12.95794, 8.94776, 9.27934, 6.74364, 12.46828, 12.59488, 10.67754, 9.31317, 7.87041, 12.24809, 8.14117, 6.75691, 10.63832, 11.05204, 9.24207, 13.60174, 12.16245, 12.41135, 8.05652, 8.29566, 7.25232, 8.03545, 10.35465, 8.77233, 6.45833, 12.87087, 11.13121, 10.69935, 11.19425, 10.02436, 6.67247, 9.63431, 6.99219, 10.66217, 13.26815, 10.80549, 12.0936, 10.26237, 6.75874, 11.97421, 12.00469, 8.67333, 12.56578, 12.71732, 11.0405, 8.24375, 9.78306, 7.1508, 8.23488, 10.71007, 7.76713, 7.49535, 13.59553, 10.72387, 9.39733, 12.58746, 9.6308, 11.4982, 11.73999, 7.24595, 11.99011, 12.63779, 10.0127, 7.13114, 10.37568, 6.53931, 9.44314, 13.09224, 8.71995, 7.89171, 13.25969, 8.62771, 10.5316, 11.91063, 6.72332, 9.33048, 12.59381, 7.23094, 10.64371, 12.12324, 7.49154, 7.94026, 13.27431, 9.29285, 9.23403]]}, "stress": {"__ndarray__": [[6], "float64", [0.00015568196212690613, 9.22682294079322e-05, 0.00013788741960901293, 1.706428595016483e-05, 1.6758452002996546e-05, 1.8306346266215595e-05]]}, "unique_id": "f508c6e37fd4d0ed0710381de0536de6", "user": "hecc"}, "ids": [1], "nextid": 2}