{"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": 20.602649539757095,
 "energy": -592.43130178,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.002035, 0.001195, 4e-06, -0.000207, 0.00099, -0.000975, -0.000324, 0.000757, -0.001404, 0.001865, -0.000701, -0.00263, -0.001401, 0.002799, -0.001278, 0.003826, -0.00309, -0.002285, -0.000734, -0.001211, 0.00267, -0.002584, -0.002462, 0.001114, -0.00113, -0.000455, -0.002778, -0.001195, 0.001067, 0.003235, -0.002625, -0.001616, -0.00235, 0.003064, -0.003169, 8.2e-05, 0.000507, -0.000347, -0.003111, 0.003564, 0.003251, -0.002076, -0.001488, 0.004849, 0.000373, -0.001919, 0.001324, 0.004337, -0.000897, 0.001064, 0.002834, -0.005103, -0.004146, 0.000702, -0.002551, -0.001403, -0.00037, -0.004051, 0.002466, -0.001008, 0.000517, 0.000174, 0.000761, 0.004827, 0.002346, 0.005819, 0.000958, 0.002332, 3.3e-05, -0.000309, -0.000445, -0.003146, -0.002934, -0.003499, 0.003835, -0.001079, 0.001721, -0.000692, 0.00274, 5.8e-05, -0.001669, -0.000223, -0.000877, -0.002015, 0.001043, -0.003147, -0.003808, 0.003216, 0.000374, -0.000277, -0.009668, -0.00089, -0.001225, -0.001945, -0.002096, 0.003555, 0.000858, -0.001393, 0.002087, -0.001473, -0.004935, -0.003716, -0.002371, 0.000369, -0.000328, 0.002951, 0.000474, 0.003156, -0.00188, 0.001618, 0.004646, 0.003938, -0.000592, -0.003296, 0.003221, -0.000716, 0.000885, -0.000367, -0.001642, 0.002466, 0.002904, 0.000956, 0.004041, -0.002519, -0.000592, 0.001586, 0.002873, 0.001797, 0.001677, 0.00054, 0.003903, 0.000952, -0.000745, -0.000933, -0.000524, 0.001018, -0.002733, -0.001884, 0.001086, -0.001824, 0.003247, 0.001765, 0.000707, -0.000463, -0.001756, -0.001633, 0.00166, 0.001492, -0.002857, -0.001638, -0.003558, 0.002412, -0.003146, 0.004141, 0.003955, -0.001999, -0.002998, -0.003716, -0.005724, -0.000182, 0.001765, 0.003882, 0.005151, 0.000123, 0.000711, -0.003299, 0.001253, 0.008264, -0.004006, -0.001312, -0.005016, 0.003471, -0.002423, 0.00313, -0.00085, -0.002668, 0.004076, -0.000622, -0.000295, 0.001414, -0.002773, -0.002625, -0.000629, 0.001468, 0.003676, -0.002821, 0.006073, 0.000264, 0.00164, -0.00109, -0.003236, 0.00094, -0.000104, -0.001343, -0.002793, 0.001158, 0.002594, -0.001093, -0.00065, 0.003941, -0.003909, -0.000803, 0.002904, 4.9e-05, 0.000915, -0.001771, -0.00164, -0.000607, -0.00261, -0.002121, -0.002167, 0.003413, -0.00045, 0.006479, -0.001518, 0.001134, 0.001011, 0.002005, 0.004662, 0.004065, 0.0049, -0.004102, -0.003545, -0.000316, -0.00336, 0.001311, 0.001327, 0.00337, -0.000169, 0.004134, -0.003675, -0.00108, -0.002028, -0.001608]]},
 "free_energy": -592.57180579,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.586702016839066,
 "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", [7.10688, 6.85751, 12.62587, 14.83372, 10.95087, 9.31179, 12.77348, 6.87079, 7.47234, 6.71147, 6.46975, 9.01401, 8.68818, 10.92424, 5.29823, 6.55879, 9.99391, 13.45444, 5.56777, 11.96746, 9.25701, 12.6924, 11.96022, 13.58599, 7.55707, 5.67483, 10.82671, 13.87657, 11.64964, 7.32962, 11.39194, 9.00312, 14.6244, 9.11912, 6.71612, 13.65691, 7.19728, 12.08109, 6.45033, 9.69744, 5.19207, 10.88629, 11.7618, 9.99922, 5.39246, 8.43904, 10.06567, 14.6596, 11.06672, 13.24598, 6.4245, 7.24279, 13.25138, 12.52978, 7.87069, 12.53516, 11.96445, 6.73223, 10.74314, 10.62783, 7.22792, 11.18589, 11.80556, 7.67117, 12.62728, 9.38218, 8.24105, 13.06886, 10.56733, 6.59024, 11.55402, 9.36213, 9.60892, 13.44417, 10.56261, 8.41958, 12.59565, 8.16752, 9.26234, 12.36133, 12.59137, 7.42195, 9.99947, 12.75229, 7.01628, 10.73216, 8.14669, 6.77871, 9.27781, 10.61147, 10.22714, 13.01663, 11.81505, 7.84877, 11.57641, 7.18831, 7.30223, 8.81986, 11.8153, 8.71404, 10.00269, 13.57865, 7.09869, 9.36642, 8.21819, 9.65777, 11.15461, 13.24986, 9.73453, 13.02508, 8.15065, 10.33839, 13.41709, 9.37084, 6.83987, 8.58701, 9.40692, 8.95452, 10.79285, 6.37207, 11.58527, 12.61017, 11.80959, 7.83204, 7.44738, 12.02939, 10.95295, 10.72282, 13.29516, 11.71865, 12.9397, 9.3633, 10.81798, 12.48651, 7.20958, 9.59884, 8.81595, 13.34211, 8.10214, 8.62365, 7.45266, 7.46819, 7.21078, 9.33344, 10.39044, 11.19574, 6.60886, 12.09679, 11.5289, 12.75069, 9.04661, 9.30706, 6.69297, 12.30019, 12.53405, 10.61275, 9.19021, 7.4716, 12.83262, 8.07666, 6.62957, 10.67996, 11.0516, 9.22696, 13.5844, 12.00816, 12.32451, 8.17277, 8.43622, 7.45391, 8.17687, 10.38753, 8.852, 6.67709, 13.2018, 11.40931, 10.64082, 11.33473, 10.02596, 6.42516, 9.61942, 6.27738, 10.65438, 13.01021, 10.72198, 11.83039, 10.22544, 7.02883, 11.81568, 11.97239, 8.61536, 12.56303, 13.08027, 11.28334, 8.00732, 9.76705, 7.04591, 8.18799, 10.74428, 7.72417, 7.38547, 13.74427, 10.78438, 9.37451, 12.95633, 9.29636, 11.84463, 11.50767, 7.49932, 11.76997, 12.45069, 10.01151, 7.44156, 10.38263, 6.55258, 9.38698, 12.75768, 8.91414, 8.1884, 13.18373, 8.58785, 10.56933, 11.71889, 6.96959, 9.38777, 12.31262, 7.43458, 10.56039, 12.10803, 7.55823, 8.02814, 13.42464, 9.29379, 9.40759]]},
 "stress": {"__ndarray__": [[6], "float64", [6.846935511093935e-05, 9.699305181622584e-05, 9.042074270667076e-05, 8.394829774312982e-06, -1.1197267371834567e-05, 4.468920534132413e-06]]},
 "unique_id": "185b9784e2bfddc4df4460ad9347a968",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}