{"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": 20.636160918123963,
 "energy": -613.2410509,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.004484, -0.007418, -0.008394, -0.000694, -0.000585, -0.002118, 0.001436, 0.002321, 0.004181, 0.010651, -0.00383, 0.005973, 0.006043, -0.001695, -0.001226, 0.002568, -0.002413, -0.000543, 0.000502, -0.010624, -0.010577, 0.004145, -0.002882, 0.007643, -0.005793, 0.000395, 0.002275, -0.004461, -0.001025, 0.00143, -0.007557, -0.002444, 0.003768, -0.00562, -0.00243, 0.002216, 0.002502, -0.00061, -0.002958, 0.003352, 0.004414, -0.0018, 0.001976, 0.003136, -0.001417, -0.001231, -0.004815, -0.001128, -0.000954, -0.002895, 0.004691, -0.000289, 0.001328, -0.005542, 0.000617, -0.000102, -0.003751, 0.00131, 0.004753, 0.0012, -0.002073, -0.004606, -0.002933, -0.000316, -0.002624, 0.001437, -0.003049, 0.002788, -0.000579, -0.001147, 0.002549, -0.00251, -0.005908, -0.00122, 0.011426, -0.003778, 0.003373, -0.002878, -0.002486, 0.00622, -5.3e-05, -5e-06, 0.004536, -0.004649, 0.002336, -0.005899, 0.00429, -0.010036, 0.002844, -0.002459, 0.006604, 0.003805, -0.010473, -0.00779, -0.002922, -0.002752, -0.003805, 0.00141, 0.006554, 0.001454, -0.004349, 0.006677, -0.014064, -0.004668, -0.009196, 0.000418, -0.006065, -0.002201, 0.000921, 0.007534, 0.00806, -0.002147, 0.002603, -0.012331, 0.002976, -0.005027, -0.002491, 0.003915, 0.000244, -0.011561, 0.003372, -0.000658, 0.005576, 0.004605, -0.004368, 0.00365, 0.008902, 0.007626, -0.001402, -0.001408, -0.00094, 0.004388, 0.005454, 0.002344, -0.001755, -0.007009, 0.005561, 0.00311, -0.001357, 0.007968, 0.0015, 0.016638, -0.00317, -0.002415, -0.00481, -0.002691, -0.008588, 0.016494, 0.008578, 0.004368, -0.00055, 0.005902, -0.006555, 0.006411, 0.009003, 0.000249, 0.001931, 0.003878, 0.009883, -0.002271, 0.007274, -0.000671, 0.002491, 0.007595, 0.001097, 0.001257, -0.003736, 0.002301, -0.002496, -0.004913, -1.7e-05, -0.000514, 0.003092, -0.00747, 0.008219, -0.005458, -0.00705, 0.009305, 0.003932, 0.005804, -0.009963, -0.002211, 0.002213, 0.006196, -0.007508, 0.003718, -0.008649, 0.00739, 0.001167, -0.003714, 0.000819, -0.000223, 0.003045, -0.004712, -0.00258, 0.004663, -0.000401, 0.00231, 0.00027, 0.002279, 0.005713, 0.002285, -0.004516, 0.0004, -0.009886, -0.000721, 0.003798, 0.003618, -0.00391, -0.016681, -0.000811, 0.004491, -0.003512, 0.009751, 0.000803, 0.011073, 0.000714, -0.005892, 0.010846, -0.009152, -0.001148, -0.003245, -0.00541, -0.008209, 0.002178, 0.009891, 0.003661, 0.002942, -0.008056, 0.002013, 0.010366, 0.000501, 0.005038, -0.011502, 0.004599, 0.002538, 0.001012, -0.006261, -0.00548, -0.001858, -0.004582, -0.003762, -0.006789, -0.005272, -0.001254, 0.016971, -0.006301, -0.00178, 0.002856, -0.00715, 0.002551, -0.002481]]},
 "free_energy": -613.4687358,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.644206138377076,
 "numbers": {"__ndarray__": [[84], "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, 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__": [[84, 3], "float64", [7.35272, 13.32493, 12.45709, 5.12283, 10.95399, 10.82571, 6.03813, 11.61992, 12.65817, 5.65832, 12.09759, 9.07041, 6.67521, 9.76104, 13.63561, 5.31294, 8.76985, 10.90168, 10.18722, 14.2455, 12.45762, 7.22682, 12.0984, 6.53385, 8.55703, 10.95657, 5.26911, 12.25219, 13.63704, 12.65782, 12.28076, 14.24674, 9.06935, 11.0116, 13.32688, 6.53438, 9.32834, 8.33419, 14.6743, 6.62903, 6.37561, 9.26987, 10.60477, 11.62215, 5.26898, 12.82709, 11.75914, 13.63517, 8.71139, 8.77187, 5.40176, 13.38392, 13.63819, 10.82669, 11.52036, 9.04695, 14.67409, 7.8396, 6.37633, 7.30914, 14.51574, 11.75983, 10.90374, 11.7652, 9.76498, 5.4008, 13.88011, 8.33689, 7.30953, 14.85979, 9.04793, 9.27079, 7.87941, 12.46381, 11.9963, 6.19246, 10.75593, 10.68355, 6.87593, 11.25183, 12.05319, 7.75011, 12.42145, 9.43967, 8.33384, 12.84473, 10.60654, 6.55395, 11.50371, 9.34669, 9.67622, 13.28011, 10.60672, 8.49206, 12.42181, 8.23976, 9.25261, 12.29787, 12.62713, 7.38754, 9.95719, 12.80219, 7.01672, 10.67778, 8.15689, 6.31898, 9.18087, 10.65812, 10.26672, 13.23938, 11.99652, 7.87377, 11.50405, 7.21145, 7.22589, 8.81891, 11.81662, 8.78306, 9.96893, 13.323, 7.22676, 9.31019, 8.28516, 9.65194, 11.0687, 13.13879, 9.79671, 12.84536, 8.23925, 10.39741, 13.28066, 9.43936, 6.83102, 8.55151, 9.40992, 8.90824, 10.75737, 6.28915, 11.79003, 12.84749, 12.05228, 8.0482, 7.73962, 11.7967, 11.00103, 10.68904, 13.32094, 11.90456, 13.24038, 9.34557, 10.83613, 12.46541, 7.21092, 9.57006, 8.71846, 13.66433, 8.05617, 8.55201, 7.42752, 7.41354, 7.1537, 9.34393, 10.43786, 11.25429, 6.28884, 12.13682, 11.49946, 12.80066, 8.94333, 9.18155, 6.41099, 12.63607, 12.8485, 10.68333, 9.26137, 7.68638, 12.6065, 8.25258, 6.95497, 10.58299, 11.09903, 9.2157, 13.66405, 12.01568, 12.30036, 8.15593, 8.25792, 7.15403, 7.97739, 10.38482, 8.82, 6.70532, 13.46081, 11.50051, 10.65833, 11.33732, 9.95964, 6.41026, 9.57983, 6.58162, 10.58421, 12.93811, 10.67424, 11.81568, 10.2064, 7.03623, 11.84002, 11.9547, 8.56233, 12.60582, 12.65069, 11.07062, 8.28479, 9.74119, 6.95422, 8.17344, 10.73546, 7.74072, 7.44955, 13.41789, 10.69062, 9.40954, 12.90636, 9.31817, 11.79631, 11.57264, 7.48133, 11.83932, 12.42632, 9.97089, 7.42574, 10.33503, 6.58148, 9.36103, 13.0849, 8.72147, 7.97723, 13.20435, 8.56348, 10.5832, 11.73796, 7.03817, 9.36125, 12.34899, 7.48185, 10.58404, 12.00146, 7.68845, 8.17387, 13.76807, 9.2175, 9.344]]},
 "stress": {"__ndarray__": [[6], "float64", [0.000122539548668466, 0.00011196643220921977, 0.00013386164622281824, -8.781803340117745e-06, -2.0010278257581727e-05, -3.5264526561240406e-06]]},
 "unique_id": "109cfe213e2a4c7c339066bc7bf7aa01",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}