{"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": 20.6361595092982,
 "energy": -618.52365015,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.002267, 0.000988, -1e-06, -0.005021, 0.00166, 0.003302, -0.002232, 0.001531, 0.003236, -0.004217, -0.007341, 6.5e-05, -0.002135, 0.005509, 0.002116, -0.001766, -0.001714, -0.004615, 0.006391, -0.002219, -1.9e-05, 0.006556, 0.005538, -0.000155, -0.006391, -0.002219, 1.9e-05, 0.002135, 0.005509, -0.002116, 0.004035, 0.00016, -0.00834, 0.004217, -0.007341, -6.5e-05, 0.002502, 0.006841, 0.002942, 0.002267, 0.000988, 1e-06, -0.006556, 0.005538, 0.000155, -0.001488, -0.003874, -0.00123, -0.003424, -0.003176, 0.000438, 0.002232, 0.001531, -0.003236, 0.003424, -0.003176, -0.000438, -0.002502, 0.006841, -0.002942, 0.005021, 0.00166, -0.003302, 0.001488, -0.003874, 0.00123, -0.004035, 0.00016, 0.00834, 0.001766, -0.001714, 0.004615, 0.003308, 0.005295, 0.001819, 0.001782, -0.005652, 0.00298, -0.004991, -0.003314, -0.001777, 0.002547, 9.8e-05, 0.002673, 0.004772, -0.000868, -0.001046, 0.005313, 5e-05, 0.001127, -0.003277, -0.002596, 0.008742, -0.001108, -0.000622, 0.00276, 0.001582, 0.004232, -0.005133, -0.002808, -0.007807, -0.005822, -0.002052, -0.001833, 0.005411, -0.001801, 0.000546, 0.001794, -0.002087, -0.000311, -0.002076, -0.005671, 0.005143, 0.00058, -0.006341, 0.012774, -0.002516, 0.001605, 0.000525, -0.004512, -0.004402, -0.011587, 0.001824, -0.004605, -0.001197, -0.001531, 0.002087, -0.000311, 0.002076, 0.003277, -0.002596, -0.008742, 0.00117, -0.001623, -0.002227, -0.002424, 0.003263, 0.003678, 0.001108, -0.000622, -0.00276, 0.007473, -0.007511, 0.001263, 0.002424, 0.003263, -0.003678, -0.004772, -0.000868, 0.001046, -0.001582, 0.004232, 0.005133, -0.00341, 0.000664, -0.001131, 0.004907, -0.001049, -0.000147, 0.00188, -0.000364, 0.001657, 0.004605, -0.001197, 0.001531, 0.005671, 0.005143, -0.00058, 0.003409, 0.005199, -0.007185, -0.002547, 9.8e-05, -0.002673, -0.002227, -7.2e-05, -0.001851, -2.5e-05, -5.2e-05, 0.002065, -0.003409, 0.005199, 0.007185, -0.003308, 0.005295, -0.001819, -0.002949, -0.000244, 0.00714, 0.00341, 0.000664, 0.001131, -0.005313, 5e-05, -0.001127, -0.001605, 0.000525, 0.004512, -0.002286, 0.003656, 0.006544, 0.002052, -0.001833, -0.005411, -0.00502, 0.001354, -0.000172, -0.004907, -0.001049, 0.000147, 0.004991, -0.003314, 0.001777, 0.00502, 0.001354, 0.000172, 0.002227, -7.2e-05, 0.001851, -0.001782, -0.005652, -0.00298, 0.004402, -0.011587, -0.001824, 0.002949, -0.000244, -0.00714, 0.002808, -0.007807, 0.005822, 0.002286, 0.003656, -0.006544, 0.006341, 0.012774, 0.002516, -0.00117, -0.001623, 0.002227, 2.5e-05, -5.2e-05, -0.002065, -0.00188, -0.000364, -0.001657, -0.007473, -0.007511, -0.001263, 0.001801, 0.000546, -0.001794]]},
 "free_energy": -618.52365041,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.336416641727762,
 "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", [7.15055, 13.40681, 12.38159, 5.10692, 11.10585, 10.75182, 6.08257, 11.50914, 12.78615, 6.7688, 13.62041, 9.3082, 8.95263, 13.20783, 13.78453, 5.29906, 8.81773, 11.01921, 10.32347, 14.36083, 12.3227, 8.17825, 10.04985, 14.54737, 9.67653, 14.36083, 7.6773, 11.04737, 13.20783, 6.21547, 6.83707, 6.3283, 9.25531, 13.2312, 13.62041, 10.6918, 8.69606, 6.822, 13.56537, 12.84945, 13.40681, 7.61841, 11.82175, 10.04985, 5.45263, 9.22906, 5.08554, 10.79337, 10.47335, 5.68584, 12.62102, 13.91743, 11.50914, 7.21385, 9.52665, 5.68584, 7.37898, 11.30394, 6.822, 6.43463, 14.89308, 11.10585, 9.24818, 10.77094, 5.08554, 9.20663, 13.16293, 6.3283, 10.74469, 14.70094, 8.81773, 8.98079, 7.79163, 12.5847, 12.01146, 6.17242, 10.8295, 10.68739, 6.88164, 11.28548, 12.05456, 7.49413, 12.78255, 9.39142, 8.30614, 12.93908, 10.63951, 6.79449, 11.43394, 9.46486, 9.60872, 13.28341, 10.60507, 8.40095, 12.65922, 8.15996, 9.1325, 12.58, 12.89604, 7.60346, 10.03286, 12.48141, 7.16646, 10.70917, 8.37749, 6.27148, 9.21546, 10.67934, 10.24383, 13.31426, 11.97956, 8.15277, 11.45388, 7.59258, 7.32096, 8.94562, 11.73693, 8.6568, 10.01329, 13.54509, 7.15833, 9.26751, 8.35119, 9.56863, 11.20651, 13.30925, 9.75617, 13.31426, 8.02044, 10.39128, 13.28341, 9.39493, 6.75101, 8.5361, 9.41694, 9.16484, 10.74134, 6.85289, 11.59905, 12.65922, 11.84004, 8.15458, 7.77063, 11.7136, 10.83516, 10.74134, 13.14711, 11.69386, 12.93908, 9.36049, 10.8675, 12.58, 7.10396, 9.58514, 8.80368, 13.37527, 8.18758, 8.54869, 7.59861, 7.51103, 7.20339, 9.37729, 10.43137, 11.20651, 6.69075, 11.84723, 11.45388, 12.40742, 9.16125, 9.27787, 6.8249, 12.50587, 12.78255, 10.60858, 9.16301, 7.47054, 12.80319, 8.34885, 7.02897, 10.60551, 10.83875, 9.27787, 13.1751, 12.20837, 12.5847, 7.98854, 8.45708, 7.359, 8.19663, 10.41486, 8.80368, 6.62473, 13.20551, 11.43394, 10.53514, 11.3432, 10.01329, 6.45491, 9.56043, 6.1326, 10.66025, 12.83354, 10.70917, 11.62251, 10.27356, 6.59109, 12.02372, 11.81242, 8.54869, 12.40139, 13.11836, 11.28548, 7.94544, 9.72644, 6.59109, 7.97628, 10.83699, 7.47054, 7.19681, 13.82758, 10.8295, 9.31261, 12.84167, 9.26751, 11.64881, 11.54292, 7.359, 11.80337, 12.39654, 10.03286, 7.51859, 10.43957, 6.1326, 9.33975, 12.67904, 8.94562, 8.26307, 13.24899, 8.5361, 10.58306, 11.65115, 7.02897, 9.39449, 12.48897, 7.20339, 10.62271, 11.84542, 7.77063, 8.2864, 13.72852, 9.21546, 9.32066]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00013266951797977452, 9.002128612261423e-05, 7.220801907734342e-05, -0.0, 1.745750102509547e-05, -0.0]]},
 "unique_id": "b8480e8a242558627d6da389a3507e12",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}