{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 20.6026455862674,
 "energy": -596.37648732,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.001825, 0.002296, -0.002986, 0.002757, -0.000742, 0.001292, 0.001331, 0.000288, -0.004331, 0.000814, 0.001202, -0.002034, 0.000792, 0.000427, -0.002292, -0.005064, 0.000853, 0.001284, -0.002169, 0.003594, 0.002874, -0.001781, 0.000911, -0.000646, 0.001097, 0.002936, -0.001862, 0.002169, -0.003594, -0.002874, -0.001097, -0.002936, 0.001862, 0.001781, -0.000911, 0.000646, -0.000792, -0.000427, 0.002292, 0.005064, -0.000853, -0.001284, -0.000814, -0.001202, 0.002034, -0.001331, -0.000288, 0.004331, -0.001825, -0.002296, 0.002986, -0.002757, 0.000742, -0.001292, 0.004083, -0.004616, 0.000301, 6.3e-05, -2.1e-05, -0.007954, -0.002472, 0.007653, -0.002502, 0.006305, 0.004406, -0.000513, -0.00501, -0.002625, 0.000481, -0.00232, 0.003331, 0.000373, 0.005619, 0.002786, -0.001939, 0.000825, 7.7e-05, -0.003336, 0.002154, -0.000575, -0.002369, -0.00124, -0.000961, -0.001362, 0.001749, 0.002362, -0.000989, -0.001913, -0.000861, 0.004475, -0.001297, 0.003248, 0.002988, 0.000515, 0.003266, -0.004993, -0.001896, 0.002312, -0.000207, -6.2e-05, 0.001032, -0.003557, 0.003583, 0.00098, -0.00193, -0.002761, 0.002842, -6.2e-05, 0.00266, 0.00086, 0.001053, 0.004644, -0.000361, 0.001024, -0.002948, 0.002171, -0.001643, -0.003087, -0.004008, -0.000454, 0.00287, 0.000848, -0.004975, -0.00553, 0.002536, 0.001823, 0.00119, -0.000844, 0.000901, 0.005771, -0.004062, -0.005269, -0.001493, -0.004573, -0.005608, -0.003428, -0.005279, -0.002591, 0.003036, -0.001484, -0.00038, 0.005414, -0.003747, -0.00522, 0.003428, 0.005279, 0.002591, -0.003036, 0.001484, 0.00038, -0.00119, 0.000844, -0.000901, -0.005414, 0.003747, 0.00522, 0.001493, 0.004573, 0.005608, -0.005771, 0.004062, 0.005269, 0.003087, 0.004008, 0.000454, 0.00553, -0.002536, -0.001823, -0.00287, -0.000848, 0.004975, 0.002761, -0.002842, 6.2e-05, 0.002948, -0.002171, 0.001643, 6.2e-05, -0.001032, 0.003557, -0.004644, 0.000361, -0.001024, -0.003583, -0.00098, 0.00193, -0.00266, -0.00086, -0.001053, -0.000515, -0.003266, 0.004993, 0.001896, -0.002312, 0.000207, 0.001297, -0.003248, -0.002988, -0.002154, 0.000575, 0.002369, 0.001913, 0.000861, -0.004475, -0.001749, -0.002362, 0.000989, -0.000825, -7.7e-05, 0.003336, 0.00124, 0.000961, 0.001362, -0.005619, -0.002786, 0.001939, 0.002472, -0.007653, 0.002502, 0.00232, -0.003331, -0.000373, 0.00501, 0.002625, -0.000481, -0.006305, -0.004406, 0.000513, -0.004083, 0.004616, -0.000301, -6.3e-05, 2.1e-05, 0.007954]]},
 "free_energy": -596.37648819,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.16083468466283,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [7.18765, 13.18268, 12.4837, 5.27294, 11.08985, 10.81476, 6.72531, 13.59273, 9.25111, 10.37709, 14.20743, 12.49815, 7.28254, 11.92734, 6.39886, 6.14652, 8.36764, 12.56533, 8.26896, 10.00769, 14.57675, 5.91265, 9.068, 7.47989, 10.48716, 14.8023, 9.20173, 11.73104, 9.99231, 5.42325, 9.51284, 5.1977, 10.79827, 14.08735, 10.932, 12.52011, 12.71746, 8.07266, 13.60114, 13.85348, 11.63236, 7.43467, 9.62291, 5.79257, 7.50185, 13.27469, 6.40727, 10.74889, 12.81235, 6.81732, 7.5163, 14.72706, 8.91015, 9.18524, 7.87083, 12.47154, 11.97444, 6.32102, 10.77536, 10.62836, 7.2187, 11.12027, 11.818, 7.49486, 12.8001, 9.35809, 8.30867, 13.00857, 10.61057, 6.85527, 11.4107, 9.36942, 9.58506, 13.42202, 10.613, 8.4093, 12.66913, 8.14044, 9.22954, 12.33417, 12.66107, 7.56906, 10.03294, 12.5219, 7.07515, 10.74154, 8.22765, 6.50178, 9.2579, 10.58106, 10.25553, 13.23821, 11.97149, 7.9076, 11.54344, 7.23165, 6.98259, 8.74791, 11.94278, 8.66978, 10.02564, 13.54487, 6.82908, 9.26803, 8.06818, 9.59782, 11.21133, 13.30487, 9.70698, 13.02235, 8.17491, 10.36674, 13.71361, 9.36283, 6.79157, 8.60469, 9.44072, 9.0424, 10.70105, 6.6962, 11.59345, 12.55334, 11.80876, 8.05834, 7.69469, 11.80297, 10.98387, 10.71714, 13.2742, 11.72569, 13.01264, 9.39153, 10.73872, 12.26658, 7.44598, 9.62499, 8.85452, 13.31137, 8.0404, 8.57663, 7.44151, 7.69299, 7.44123, 9.41761, 10.37501, 11.14548, 6.68863, 11.9596, 11.42337, 12.55849, 9.01613, 9.28286, 6.7258, 12.30701, 12.55877, 10.58239, 9.26128, 7.73342, 12.55402, 8.27431, 6.98736, 10.60847, 10.9576, 9.29895, 13.3038, 11.94166, 12.30531, 8.19703, 8.40655, 7.44666, 8.19124, 10.40218, 8.78867, 6.69513, 13.20843, 11.39531, 10.55928, 11.33022, 9.97436, 6.45513, 9.63326, 6.28639, 10.63717, 13.17092, 10.73197, 11.93182, 10.29302, 6.97765, 11.82509, 12.0924, 8.45656, 12.76835, 13.01741, 11.25209, 8.05722, 9.74447, 6.76179, 8.02851, 10.77046, 7.66583, 7.33893, 13.49822, 10.7421, 9.41894, 12.92485, 9.25846, 11.77235, 11.5907, 7.33087, 11.85956, 12.43094, 9.96706, 7.4781, 10.41494, 6.57798, 9.387, 12.7813, 8.87973, 8.182, 13.14473, 8.5893, 10.63058, 11.69133, 6.99143, 9.38943, 12.50514, 7.1999, 10.64191, 12.12917, 7.52846, 8.02556, 13.67898, 9.22464, 9.37164]]},
 "stress": {"__ndarray__": [[6], "float64", [6.599771749708957e-05, 8.699415419656085e-05, 6.370084213876453e-05, 7.801886407354074e-06, -1.7732127426634337e-05, 3.251826254585178e-06]]},
 "unique_id": "3a856ea13e1853fe5917569cf7a7daa5",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}