{"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": 20.636165210561114,
 "energy": -619.38618695,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.00314, 0.003221, -0.001566, 0.00186, 0.002334, 0.001978, 0.000397, -0.001008, -0.002318, 0.001064, -0.000616, -0.003682, 0.000297, -0.001543, 0.002022, 0.003818, 0.00577, 0.00012, 0.003647, 0.00192, -0.001633, -0.002301, -0.001433, -0.000763, 0.003363, 0.00077, -0.002305, 0.000576, -0.000711, -0.002138, 0.001797, -0.003847, 0.001459, -0.003063, -8.2e-05, -0.000744, -0.000576, 0.000711, 0.002138, 0.003063, 8.2e-05, 0.000744, -0.001797, 0.003847, -0.001459, -0.003647, -0.00192, 0.001633, -0.003363, -0.00077, 0.002305, 0.002301, 0.001433, 0.000763, -0.000297, 0.001543, -0.002022, -0.003818, -0.00577, -0.00012, -0.001064, 0.000616, 0.003682, -0.000397, 0.001008, 0.002318, -0.00314, -0.003221, 0.001566, -0.00186, -0.002334, -0.001978, 0.003708, 0.007443, -0.002024, 0.000164, 0.003284, -0.002241, 0.001909, 0.000266, -0.002063, 0.000482, -0.000551, 0.001028, 0.001631, -0.00627, -0.002488, 0.000638, 0.001661, 0.005998, 0.000955, 0.002376, -6.6e-05, -0.004564, -0.006364, -0.000896, -0.003642, 0.003272, -0.003157, 0.005297, 0.002253, 0.004906, 0.0001, 0.000446, 0.002993, 0.000897, 0.004177, 0.007042, 0.002273, 0.004089, -0.008293, -0.003058, 0.003918, 0.002673, -0.001787, 0.002095, 0.000154, -0.002844, -0.002422, -0.000315, 0.002219, -0.003068, -0.001265, 0.00308, -7.1e-05, -1e-06, 0.003006, -0.001332, -0.004453, 0.002765, -0.000252, 0.002166, 0.001315, -0.00337, 0.0009, -0.003137, 0.000565, 0.000147, 0.003174, -0.000283, 0.000616, -0.000531, 0.001983, 0.008137, 0.003617, -0.002629, -0.00032, 0.005847, -0.004899, 0.002206, 0.00329, -0.001926, -0.002481, -0.001906, -0.000391, -0.00298, 0.000241, 0.0026, -0.004205, -0.00023, -0.0013, 0.004647, 0.001906, 0.000391, 0.00298, -0.000241, -0.0026, 0.004205, -0.003617, 0.002629, 0.00032, 0.00023, 0.0013, -0.004647, -0.00329, 0.001926, 0.002481, -0.005847, 0.004899, -0.002206, 0.003137, -0.000565, -0.000147, 0.000531, -0.001983, -0.008137, -0.003174, 0.000283, -0.000616, -0.00308, 7.1e-05, 1e-06, -0.001315, 0.00337, -0.0009, 0.002844, 0.002422, 0.000315, -0.002765, 0.000252, -0.002166, -0.002219, 0.003068, 0.001265, -0.003006, 0.001332, 0.004453, 0.003058, -0.003918, -0.002673, 0.001787, -0.002095, -0.000154, -0.002273, -0.004089, 0.008293, 0.003642, -0.003272, 0.003157, -0.000897, -0.004177, -0.007042, -0.0001, -0.000446, -0.002993, 0.004564, 0.006364, 0.000896, -0.005297, -0.002253, -0.004906, -0.000955, -0.002376, 6.6e-05, -0.001909, -0.000266, 0.002063, -0.000638, -0.001661, -0.005998, -0.001631, 0.00627, 0.002488, -0.000482, 0.000551, -0.001028, -0.003708, -0.007443, 0.002024, -0.000164, -0.003284, 0.002241]]},
 "free_energy": -619.38618695,
 "key_value_pairs": {"perms_num": 24},
 "mtime": 25.221352114396804,
 "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", [7.21487, 13.16354, 12.48342, 5.29389, 11.06459, 10.80792, 6.75181, 13.57723, 9.24161, 10.39586, 14.19733, 12.48343, 7.29592, 11.90412, 6.39736, 6.17203, 8.3585, 12.56785, 8.25829, 9.95319, 14.57087, 5.93885, 9.07913, 7.43374, 10.52705, 14.80327, 9.2413, 11.43804, 10.9855, 14.56974, 11.06982, 13.12992, 6.39619, 6.818, 6.37265, 9.19314, 8.56196, 9.0145, 5.43026, 13.182, 13.62735, 10.80686, 8.93018, 6.87008, 13.60381, 11.74171, 10.04681, 5.42913, 9.47295, 5.19673, 10.7587, 14.06115, 10.92087, 12.56626, 12.70408, 8.09588, 13.60264, 13.82797, 11.6415, 7.43215, 9.60414, 5.80267, 7.51657, 13.24819, 6.42277, 10.75839, 12.78513, 6.83646, 7.51658, 14.70611, 8.93541, 9.19208, 7.89264, 12.45171, 11.96728, 6.34508, 10.75991, 10.622, 7.23836, 11.10767, 11.80895, 7.51757, 12.78172, 9.35653, 8.32506, 12.99017, 10.60727, 6.87585, 11.39753, 9.36869, 9.59886, 13.40418, 10.60674, 8.43336, 12.65846, 8.13707, 9.24949, 12.31481, 12.66115, 7.58976, 10.02429, 12.51355, 7.09339, 10.72769, 8.22957, 6.52089, 9.24066, 10.57043, 10.26627, 13.22323, 11.96703, 7.92348, 11.53284, 7.23462, 6.99985, 8.74149, 11.93485, 8.68162, 10.02211, 13.5468, 6.83296, 9.25623, 8.06733, 9.60086, 11.23123, 13.36475, 9.70667, 13.07294, 8.13618, 10.37481, 13.70966, 9.35575, 6.73819, 8.57053, 9.43146, 9.06721, 10.70407, 6.72252, 11.585, 12.51851, 11.80748, 8.07504, 7.70352, 11.77139, 11.05492, 10.79221, 13.54581, 11.70668, 12.96619, 9.36778, 10.78028, 12.461, 7.23364, 9.65915, 8.88212, 13.27788, 8.06308, 8.565, 7.48839, 7.48831, 7.23767, 9.37911, 10.34085, 11.11788, 6.72212, 11.93692, 11.435, 12.51161, 8.94508, 9.20779, 6.45419, 12.51169, 12.76233, 10.62089, 9.21972, 7.539, 12.76636, 8.29332, 7.03381, 10.63222, 10.93279, 9.29593, 13.27748, 11.92496, 12.29648, 8.22861, 8.415, 7.48149, 8.19252, 10.39914, 8.76877, 6.63525, 13.26181, 11.42947, 10.56854, 11.31838, 9.97789, 6.4532, 9.62519, 6.29034, 10.64425, 13.16704, 10.74377, 11.93267, 10.29333, 6.92706, 11.86382, 12.07652, 8.46716, 12.76538, 13.00015, 11.25851, 8.06515, 9.73373, 6.77677, 8.03297, 10.75051, 7.68519, 7.33885, 13.47911, 10.75934, 9.42957, 12.90661, 9.27231, 11.77043, 11.56664, 7.34154, 11.86293, 12.41024, 9.97571, 7.48645, 10.40114, 6.59582, 9.39326, 12.76164, 8.89233, 8.19105, 13.12415, 8.60247, 10.63131, 11.67494, 7.00983, 9.39273, 12.48243, 7.21828, 10.64347, 12.10736, 7.54829, 8.03272, 13.65492, 9.24009, 9.378]]},
 "stress": {"__ndarray__": [[6], "float64", [9.125086342041323e-05, 9.893416115437553e-05, 8.002238850294924e-05, 1.208980317683587e-05, -1.5678670924218747e-05, 9.493335380468435e-06]]},
 "unique_id": "72bd12d5f221371d646c8b92b7c86c4b",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}