{"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": 20.636175344907507,
 "energy": -592.29582364,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.003343, -0.000454, -0.004391, -0.001273, -0.002513, -0.00161, -0.000902, -0.001499, -0.000169, -0.00525, 0.00195, -0.00388, -0.003557, -0.001843, 0.002261, -0.001888, 0.003378, 0.00043, -0.001183, -0.002258, -0.001263, 0.001188, 0.000485, -0.000288, 0.000954, 0.000142, -0.00155, 0.001183, 0.002258, 0.001263, -0.000954, -0.000142, 0.00155, -0.001188, -0.000485, 0.000288, 0.00525, -0.00195, 0.00388, 0.001888, -0.003378, -0.00043, 0.003557, 0.001843, -0.002261, 0.000902, 0.001499, 0.000169, -0.003343, 0.000454, 0.004391, 0.001273, 0.002513, 0.00161, -0.003116, -0.000954, 0.000457, -0.003726, 0.000393, -0.002009, -0.000851, -0.003461, -0.000296, -0.004001, 0.00014, -0.001268, 0.003586, -0.000182, -0.002024, -0.002364, -0.000492, -0.000843, -0.001647, -0.001354, -0.001469, 0.002357, 0.003386, 0.004969, -0.00319, -0.003224, 0.002669, 0.00332, -0.00299, -0.002639, 0.000722, -0.001743, -0.000658, -0.000939, -0.004823, -0.004711, -0.00036, -0.000855, -0.003485, 0.005387, -0.00291, 0.001741, -0.003957, 0.000393, 0.003191, -0.003671, -0.001113, -0.003568, 1.2e-05, 0.001572, 0.004466, -0.001132, -0.00042, -0.001963, 0.002114, 0.000576, -0.00111, -0.000169, -0.002418, -0.001471, -0.001095, -0.001081, -0.002309, -0.001314, 0.001899, -0.000642, 0.002599, -0.002653, 2.6e-05, 0.007095, -0.004781, -0.008339, -0.004223, 0.000923, -0.002529, 0.001499, -0.000986, 0.002891, 0.000555, 0.002251, 4.3e-05, -0.002818, 0.001415, -0.004313, 0.002019, -0.000736, 0.001507, 0.000627, 0.001747, 0.001228, 0.002818, -0.001415, 0.004313, -0.002019, 0.000736, -0.001507, 0.004223, -0.000923, 0.002529, -0.000627, -0.001747, -0.001228, -0.000555, -0.002251, -4.3e-05, -0.001499, 0.000986, -0.002891, 0.001314, -0.001899, 0.000642, -0.007095, 0.004781, 0.008339, -0.002599, 0.002653, -2.6e-05, 0.001132, 0.00042, 0.001963, 0.001095, 0.001081, 0.002309, 0.003671, 0.001113, 0.003568, 0.000169, 0.002418, 0.001471, -1.2e-05, -0.001572, -0.004466, -0.002114, -0.000576, 0.00111, -0.005387, 0.00291, -0.001741, 0.003957, -0.000393, -0.003191, 0.00036, 0.000855, 0.003485, 0.00319, 0.003224, -0.002669, 0.000939, 0.004823, 0.004711, -0.000722, 0.001743, 0.000658, -0.002357, -0.003386, -0.004969, -0.00332, 0.00299, 0.002639, 0.001647, 0.001354, 0.001469, 0.000851, 0.003461, 0.000296, 0.002364, 0.000492, 0.000843, -0.003586, 0.000182, 0.002024, 0.004001, -0.00014, 0.001268, 0.003116, 0.000954, -0.000457, 0.003726, -0.000393, 0.002009]]},
 "free_energy": -592.55564701,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.57925543570422,
 "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", [7.22715, 13.24708, 12.54096, 5.21278, 11.02256, 10.85834, 6.7025, 13.62071, 9.16188, 9.36019, 11.6023, 14.67805, 9.64501, 14.31531, 7.52808, 5.48619, 8.08486, 9.09316, 11.57163, 10.94849, 14.56203, 11.15822, 13.05328, 6.3229, 6.9019, 6.26396, 9.201, 8.42837, 9.05151, 5.43797, 13.0981, 13.73604, 10.799, 8.84178, 6.94672, 13.6771, 10.63981, 8.3977, 5.32195, 14.51381, 11.91514, 10.90684, 10.35499, 5.68469, 12.47192, 13.2975, 6.37929, 10.83812, 12.77285, 6.75292, 7.45904, 14.78722, 8.97744, 9.14166, 7.8596, 12.51901, 11.98325, 6.28158, 10.77775, 10.66297, 7.1704, 11.18761, 11.84225, 7.44959, 12.81326, 9.33681, 8.23559, 13.05489, 10.59796, 6.77682, 11.43763, 9.40323, 9.58222, 13.35033, 10.56305, 8.38897, 12.64327, 8.12953, 9.24252, 12.35596, 12.63955, 7.64254, 10.06039, 12.48139, 7.11761, 10.69935, 8.28916, 6.51272, 9.25602, 10.61213, 10.20368, 12.9105, 11.82166, 8.11908, 11.4426, 7.50883, 7.24226, 8.86926, 11.71558, 8.79219, 10.02038, 13.30035, 7.06051, 9.29098, 8.20532, 9.58163, 11.28457, 13.64347, 9.72953, 13.31888, 7.99753, 10.35709, 13.44319, 9.38657, 6.50127, 8.43982, 9.34599, 9.04077, 10.72364, 6.69856, 11.58035, 12.55384, 11.82828, 8.04042, 7.69449, 11.79063, 11.09471, 10.76837, 13.58367, 11.6826, 12.9872, 9.39319, 10.82858, 12.47273, 7.20106, 9.62011, 8.88921, 13.27559, 8.04331, 8.59907, 7.48433, 7.49177, 7.18377, 9.35242, 10.37989, 11.11079, 6.72441, 11.95669, 11.40093, 12.51567, 8.90529, 9.23163, 6.41633, 12.50823, 12.81623, 10.64758, 9.17142, 7.52727, 12.79894, 8.3174, 7.0128, 10.60681, 10.95923, 9.27636, 13.30144, 11.95958, 12.30551, 8.20937, 8.41965, 7.44616, 8.17172, 10.41837, 8.71543, 6.35653, 13.49873, 11.56018, 10.65401, 11.20781, 9.97962, 6.69965, 9.64291, 6.55681, 10.61343, 12.93949, 10.70902, 11.79468, 10.27047, 6.68112, 12.00247, 11.88092, 8.5574, 12.49117, 12.75774, 11.13074, 8.28442, 9.79632, 7.0895, 8.17834, 10.75748, 7.64404, 7.36045, 13.48728, 10.74398, 9.38787, 12.88239, 9.30065, 11.71084, 11.61103, 7.35673, 11.87047, 12.35746, 9.93961, 7.51861, 10.41778, 6.64967, 9.43695, 12.8296, 8.81239, 8.15775, 13.22318, 8.56237, 10.59677, 11.76441, 6.94511, 9.40204, 12.55041, 7.18674, 10.66319, 12.1404, 7.48099, 8.01675, 13.71842, 9.22225, 9.33703]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010064433465486753, 0.00012142231853493289, 8.226309027914135e-05, -5.867018578330263e-07, 8.157652427529418e-06, 2.2843923400732723e-05]]},
 "unique_id": "1097e6d976ac1e65d0c97a05e0c1e095",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}