{"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": 20.636173399489913,
 "energy": -595.11504252,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.002008, -0.001922, -0.00672, -0.003291, 0.003579, -0.005188, 0.001539, 0.004189, 0.002157, 0.005192, 0.002056, 0.001592, 0.003347, -0.001944, 0.002823, -0.001115, -0.002531, -0.001715, 0.000467, -0.004995, -0.007103, 0.004313, 0.001666, 0.002005, -0.003661, 0.001077, 0.00057, -0.003641, 0.000508, 0.002968, -0.002555, -0.002527, 0.002429, -0.001551, -0.000817, 0.00228, 0.003757, 0.003879, -0.000224, -0.002347, -0.006297, 0.002916, 0.00058, -0.002017, 0.006871, -0.000378, -0.001193, -0.004352, -0.000366, -0.007181, -0.003306, 0.002942, -0.004495, 0.001006, -0.013544, 0.00238, 0.002221, 0.000475, -0.003225, -0.004114, 0.002175, -0.003825, 0.007025, -0.001621, -0.003106, 0.004636, 0.003118, -0.000714, -0.001132, -0.010769, 0.009216, 0.004379, -0.00126, -0.006958, 0.010924, -6.7e-05, -0.003882, 0.001294, 0.003021, -0.011608, 0.010351, 0.000408, 0.001575, -0.0049, -0.001078, -0.003098, -0.001248, 0.001894, -0.000862, -0.002354, 0.00716, 0.014547, 0.004309, 0.003887, 0.005274, -0.01269, 0.007006, -0.007126, 0.001409, -0.014116, 0.009133, 0.001292, 0.005147, -0.0038, 0.003378, 0.001649, 0.011947, -0.01014, 0.006005, -0.005049, -0.000234, 0.009278, -0.007891, -0.009346, -0.011281, 0.012451, 0.000805, -0.004503, -0.004359, -0.000856, 0.001895, -0.004331, 0.007854, -0.004427, 0.004955, -0.001456, 0.00332, 0.002894, 0.003451, 0.006202, 0.014209, 0.006444, -0.004464, 0.00324, -0.011891, 0.001557, -0.015093, -0.003737, -0.006583, 0.005566, -0.003583, 0.00352, -0.007145, 0.004964, 0.009084, 0.000249, -0.00081, -0.00297, 0.00063, -0.002013, 0.001227, 0.00322, -0.003001, 0.006714, -1.3e-05, -0.002141, -0.000761, 0.005543, -0.000492, -0.002102, 0.003586, -0.000382, 0.002189, 0.003288, 0.002616, 0.014895, -0.013098, -0.001428, -0.002029, 0.009457, -0.007758, 0.000974, -0.003498, 0.00789, 4.2e-05, -0.000854, -0.000203, -0.003226, 0.001468, -0.000409, -0.001063, -0.000642, 0.006999, -0.003715, -0.006356, -2.5e-05, -0.00053, -0.000511, -0.00418, -0.001581, -0.007074, -0.005775, -0.011152, 0.014405, 0.001323, 0.004737, 0.001003, 0.00841, -0.001402, 0.00262, -0.00482, 0.00106, 0.007593, 0.000412, -0.00274, 0.005109, -0.000996, 0.003779, 0.001921, 0.002599, 0.003909, 0.000338, 0.000369, 0.003219, -0.000309, -0.006302, 0.001112, 0.005674, -0.005227, -0.0034, 0.000905, 0.007133, -0.002179, -0.001862, 0.004361, -0.004521, -0.007019, -0.004879, -0.008267, -0.005289, 0.002289, -0.000551, -0.006835, 0.000377]]},
 "free_energy": -595.22674496,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.644205586498845,
 "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", [7.39698, 13.29575, 12.47013, 5.11374, 10.95792, 10.82813, 6.02968, 11.62367, 12.66159, 5.68617, 12.05347, 9.0461, 6.64343, 9.77643, 13.67001, 5.26175, 8.77279, 10.90221, 10.17087, 14.19556, 12.47039, 7.22079, 12.05395, 6.56727, 8.55725, 10.95723, 5.2581, 12.25918, 13.64458, 12.66466, 12.28452, 14.19429, 9.04888, 11.04388, 13.29412, 6.56946, 10.6074, 11.62344, 5.25959, 12.84587, 11.78854, 13.673, 8.6902, 8.77151, 5.3564, 13.39232, 13.64565, 10.83063, 14.55718, 11.78946, 10.90502, 11.78403, 9.77609, 5.3557, 7.89312, 12.42005, 12.00582, 6.17918, 10.73471, 10.69662, 6.86348, 11.23152, 12.06696, 7.77079, 12.36153, 9.45071, 8.35408, 12.78478, 10.61894, 6.56874, 11.45842, 9.35475, 9.69579, 13.21993, 10.61901, 8.51275, 12.36083, 8.25181, 9.26854, 12.25117, 12.64991, 7.35094, 9.93174, 12.82843, 7.02545, 10.62188, 8.15973, 6.28133, 9.15501, 10.68501, 10.2836, 13.19517, 12.00653, 7.89115, 11.45808, 7.21831, 7.18625, 8.78912, 11.8453, 8.76155, 9.95733, 13.34964, 7.08546, 9.26899, 8.19657, 9.63489, 11.11979, 13.29914, 9.81784, 12.78382, 8.25275, 10.41745, 13.21933, 9.45208, 6.79671, 8.531, 9.41704, 8.91673, 10.733, 6.26946, 11.81534, 12.8375, 12.06947, 8.01617, 7.70643, 11.82347, 11.02466, 10.69163, 13.35017, 11.92076, 13.19385, 9.35742, 10.85147, 12.4178, 7.22014, 9.59944, 8.84612, 13.32011, 8.04843, 8.53054, 7.39358, 7.64496, 7.42748, 9.40784, 10.44768, 11.2298, 6.27047, 12.18317, 11.49859, 12.83051, 8.95226, 9.15346, 6.36566, 12.66206, 12.83804, 10.69964, 9.25393, 7.6728, 12.59822, 8.25548, 6.94862, 10.59762, 10.9988, 9.29993, 13.32087, 12.0434, 12.24949, 8.16139, 8.4189, 7.42701, 8.15733, 10.39471, 8.78781, 6.65709, 13.50758, 11.49918, 10.68782, 11.34732, 9.92999, 6.36466, 9.60571, 6.52382, 10.59832, 12.98884, 10.67098, 11.84781, 10.22807, 6.97565, 11.84328, 11.96817, 8.55356, 12.59961, 12.78991, 11.11931, 8.1977, 9.75567, 6.94775, 8.17192, 10.74511, 7.7062, 7.41112, 13.4555, 10.69176, 9.41921, 12.95195, 9.30751, 11.82568, 11.58955, 7.41772, 11.84403, 12.4437, 9.95629, 7.39424, 10.3584, 6.52352, 9.38091, 12.79089, 8.84574, 8.15881, 13.20361, 8.55387, 10.59969, 11.74959, 6.97612, 9.38228, 12.35938, 7.4175, 10.59986, 11.99032, 7.67333, 8.17388, 13.41642, 9.3003, 9.41007]]},
 "stress": {"__ndarray__": [[6], "float64", [7.272606433479172e-05, 9.465872740314548e-05, 9.593199526482569e-05, 4.094429986579417e-06, 1.0067554220049694e-05, -9.38722972532842e-06]]},
 "unique_id": "b40bf17658e0517b84faafb2c72ef766",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}