{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [15.532648783, 0.2455044, -0.378154198, 0.245401798, 14.765889435, -0.105772254, -0.378309225, -0.105395935, 14.551821926]]},
 "ctime": 20.602623716344553,
 "energy": -619.61651564,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.210926, -0.105503, 0.042131, -0.001708, 0.086842, 0.004749, 0.150345, 0.10116, 0.059182, 0.019491, -0.318491, 0.06947, -0.027548, 0.065499, -0.003037, -0.057004, 0.03522, -0.042165, 0.134615, -0.326468, -0.25201, 0.294751, -0.021044, 0.193816, 0.165713, -0.095497, 0.234013, -0.064031, -0.013025, 0.342231, 0.097212, -0.167288, -0.00318, -0.021465, -0.09525, 0.041201, -0.109749, 0.190383, 0.083511, -0.192536, 0.050666, 0.142704, 0.162728, 0.197296, -0.179323, -0.142477, 0.237468, 0.154795, -0.174206, -0.081668, -0.028124, -0.161413, 0.168935, 0.181031, -0.217657, -0.00586, -0.086453, 0.190911, 0.154263, -0.119742, -0.036426, 0.071073, -0.032476, -0.23567, 0.168227, 0.285186, -0.253547, -0.044666, 0.039469, 0.099084, 0.198048, -0.105007, -0.085361, -0.036055, 0.282653, 0.016256, -0.231178, -0.089617, -0.112838, -0.072285, 0.001198, -0.059676, 0.521, -0.300037, 0.055622, 0.210814, 0.040317, -0.516315, 0.032206, -0.122091, 0.128344, 0.190301, -0.136719, 0.268774, -0.217822, -0.21163, 0.13637, 0.140739, 0.019139, -0.02293, -0.151078, -0.03231, -0.284617, -0.07169, -0.244928, 0.231814, -0.250137, -0.284111, 0.069332, 0.052457, 0.368154, 0.044802, 0.474455, -0.326105, -0.4167, -0.083457, -0.075218, 0.216754, -0.107508, 0.334151, 0.150349, -0.472876, -0.190965, -0.05526, -0.145575, 0.470916, 0.065029, 0.350089, -0.01098, 0.302254, 0.020313, 0.037004, -0.184145, -0.00778, -0.241012, -0.123482, -0.139907, -0.382465, 0.070719, 0.217822, -0.042239, -0.282019, 0.071958, -0.096209, -0.199171, -0.454999, -0.276631, -0.388996, 0.301503, -0.474926, 0.294426, -0.334175, 0.162072, -0.236062, 0.47865, 0.218719, -0.346124, 0.200434, 0.453132, 0.038949, 0.350455, -0.238194, 0.215563, -0.026591, -0.159737, 0.224292, -0.105824, 0.307615, -0.312239, -0.413632, -0.2393, 0.144464, 0.285765, -0.316763, -0.041257, 0.034352, 0.524931, -0.109696, -0.203732, -0.348851, 0.144313, -0.161301, 0.111354, 0.253701, -0.077298, -0.08058, 0.528928, -0.297808, -0.366454, 0.37644, -0.113728, 0.155309, 0.237007, -0.052845, -0.128625, 0.597221, -0.161471, 0.302452, -0.024841, -0.157477, 0.26452, 0.135089, 0.16615, -0.015374, 0.140587, -0.284382, -0.192949, 0.414826, -0.184636, 0.12552, -0.161856, 0.060794, 0.037604, -0.062757, -0.032553, 0.244706, 0.080549, -0.06758, 0.012756, -0.188427, 0.182541, -0.119033, 0.154755, -0.51786, -0.006827, 0.077385, 0.176578, 0.253451, -0.627735, -0.088846, -0.186317, -0.090968, 0.309827, 0.052644, 0.2144, -0.006172, 0.236825, -0.19869, 0.186525, -0.156874, -0.183164, 0.282888, 0.053581, -0.299287, -0.0135, -0.145607, 0.168531, 0.156089, 0.178868, -0.413569, -0.161266, -0.031885]]},
 "free_energy": -619.6165158,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.585035250754377,
 "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", [5.17043, 10.70095, 9.56673, 3.00389, 8.08881, 7.71997, 3.71634, 9.14089, 9.4405, 4.75476, 10.97826, 5.77597, 5.27088, 11.67375, 7.68155, 3.31951, 9.39549, 6.08557, 7.37156, 12.30862, 7.57834, 4.42276, 7.48982, 10.70494, 3.71086, 8.07986, 4.33111, 7.95639, 11.60612, 9.56165, 5.21214, 9.51402, 3.45286, 3.68733, 5.88163, 9.32126, 6.53519, 8.23402, 2.24861, 10.05349, 11.09705, 9.55077, 4.92425, 4.12882, 9.67777, 8.65734, 8.75008, 2.40154, 10.56637, 9.2595, 10.6032, 6.4146, 6.04759, 2.44589, 11.09176, 11.04857, 7.62717, 6.76132, 4.39232, 10.86818, 5.50743, 3.07997, 7.82119, 8.61539, 5.54506, 2.46093, 12.35259, 9.21008, 7.89678, 8.16214, 3.12882, 9.61905, 5.62546, 9.95159, 8.88487, 4.10215, 8.15746, 7.59665, 4.61684, 8.75024, 8.94551, 5.30883, 10.12796, 6.2464, 5.84177, 10.74681, 7.56136, 4.30218, 8.94567, 6.26836, 7.37591, 11.19475, 7.57203, 6.30073, 9.76306, 5.20226, 7.01421, 9.7099, 9.39039, 5.05523, 7.47406, 9.80144, 4.62667, 8.09641, 4.96277, 4.52998, 6.72675, 7.61984, 8.01533, 10.71984, 8.91386, 5.74087, 8.84465, 4.16687, 4.70142, 6.17098, 8.99059, 6.4952, 7.43023, 10.08082, 5.08207, 6.73107, 5.24891, 7.36652, 8.59852, 10.05074, 7.59106, 10.12795, 5.23731, 8.1739, 10.63473, 6.46607, 4.83802, 6.03871, 6.50798, 6.80202, 8.03916, 3.29572, 9.56194, 10.2912, 8.99327, 5.57599, 4.82572, 9.11759, 8.72975, 8.18908, 10.25909, 9.48004, 10.21831, 6.49552, 8.61311, 9.52839, 4.43069, 7.3002, 6.32673, 10.15425, 5.98852, 5.98741, 4.54022, 5.53441, 4.77931, 6.51001, 8.31574, 8.46743, 3.42337, 9.89692, 8.96551, 9.76191, 6.8107, 6.46353, 3.3946, 10.38901, 10.1928, 7.6596, 6.92688, 4.9142, 9.90232, 5.95541, 4.0948, 7.76506, 8.67431, 6.80324, 10.23239, 9.74366, 9.51755, 5.23762, 6.28142, 4.7983, 5.3455, 8.30732, 5.95817, 3.45553, 11.30411, 8.89129, 7.68804, 9.0982, 7.21535, 3.74754, 7.46218, 3.91051, 7.73106, 10.73073, 8.10379, 8.83244, 8.04706, 4.11494, 9.11197, 9.65876, 6.02756, 9.57613, 10.651, 8.41195, 5.25567, 7.62218, 4.30156, 5.3044, 8.59242, 4.92503, 4.53725, 11.28756, 8.02641, 6.42805, 10.6918, 6.75496, 8.83824, 9.37666, 4.82403, 8.95129, 10.25103, 7.22299, 4.48909, 8.20668, 3.86531, 6.59099, 10.67322, 6.05709, 5.26328, 11.05618, 5.91204, 7.6911, 9.63027, 4.2432, 6.55893, 10.20275, 4.75392, 7.73953, 9.83736, 4.92891, 5.30648, 11.29788, 6.56348, 6.46927]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0006233145503654574, 6.340124970072213e-05, -0.001397773485723304, 0.00042418544321327803, -0.0009168464830466212, -0.0006018125514267896]]},
 "unique_id": "9571b893fbc388af4dcecda6c3f21d02",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}