{"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": 20.63616333736581,
 "energy": -607.70591635,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.000673, 0.003235, 0.001362, 0.005713, 0.001151, -0.001138, 0.001556, 0.000868, 0.000543, -0.003685, -0.004627, -0.000385, -0.000103, -0.00241, -0.005053, 0.004624, 0.001529, 0.001086, 0.002575, -0.00417, 0.003003, -0.001572, -0.005332, -0.010519, 0.002531, -0.002935, 0.000494, -0.001313, 0.001006, 0.000244, 0.000579, 0.00029, -0.002598, 0.002312, -2.1e-05, 0.00075, 0.001313, -0.001006, -0.000244, -0.002312, 2.1e-05, -0.00075, -0.000579, -0.00029, 0.002598, -0.004624, -0.001529, -0.001086, -0.002531, 0.002935, -0.000494, 0.001572, 0.005332, 0.010519, 0.000103, 0.00241, 0.005053, -0.002575, 0.00417, -0.003003, 0.003685, 0.004627, 0.000385, -0.001556, -0.000868, -0.000543, 0.000673, -0.003235, -0.001362, -0.005713, -0.001151, 0.001138, -0.01115, 0.004092, 0.006874, -8.3e-05, 0.001675, -0.004852, 0.004394, -0.002559, 0.000693, -0.004271, 0.007655, -0.000128, 0.003877, -0.014688, 0.000722, 0.000603, -0.003313, -0.004192, -0.003526, -0.004507, -0.006697, 0.005079, 0.003499, 0.00044, -0.006585, -0.000851, 0.003038, 0.002332, -0.00142, 0.0017, -0.004028, -0.000708, -0.000126, 0.002689, 0.002207, -0.002188, -0.001644, -0.006638, -0.0011, 0.000754, -0.003275, 0.006883, 0.003208, 0.004766, -0.003088, -0.006565, -0.000898, -0.001752, 0.001241, 0.004052, -0.005246, -0.002379, -0.001378, -0.001133, 0.001898, -6.2e-05, 0.006243, -0.00403, -0.00391, 0.003142, 0.004774, 0.005263, -0.004759, 0.004779, -0.009013, -0.004547, 0.002886, 0.00121, -0.000342, -0.001508, -0.000841, 0.005193, 0.003408, -0.008047, -0.001146, -0.003426, 0.001343, -0.000314, -0.003205, -0.002997, 0.000339, -0.000565, 0.005362, 0.003594, -0.005023, 0.000298, -0.002667, 0.008599, -0.005548, -0.002739, 0.000565, -0.005362, -0.003594, 0.005023, -0.000298, 0.002667, -0.003408, 0.008047, 0.001146, -0.008599, 0.005548, 0.002739, 0.003205, 0.002997, -0.000339, 0.003426, -0.001343, 0.000314, -0.004779, 0.009013, 0.004547, 0.001508, 0.000841, -0.005193, -0.002886, -0.00121, 0.000342, 0.002379, 0.001378, 0.001133, -0.004774, -0.005263, 0.004759, 0.006565, 0.000898, 0.001752, 0.00403, 0.00391, -0.003142, -0.001241, -0.004052, 0.005246, -0.001898, 6.2e-05, -0.006243, -0.000754, 0.003275, -0.006883, -0.003208, -0.004766, 0.003088, 0.001644, 0.006638, 0.0011, 0.006585, 0.000851, -0.003038, -0.002689, -0.002207, 0.002188, 0.004028, 0.000708, 0.000126, -0.005079, -0.003499, -0.00044, -0.002332, 0.00142, -0.0017, 0.003526, 0.004507, 0.006697, -0.004394, 0.002559, -0.000693, -0.000603, 0.003313, 0.004192, -0.003877, 0.014688, -0.000722, 0.004271, -0.007655, 0.000128, 0.01115, -0.004092, -0.006874, 8.3e-05, -0.001675, 0.004852]]},
 "free_energy": -607.91316505,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 24.993228080164034,
 "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", [7.11753, 13.198, 12.43247, 5.27968, 11.17081, 10.83308, 6.66434, 13.57958, 9.31502, 9.45689, 14.81201, 10.7535, 7.85536, 13.59097, 7.35318, 9.06559, 13.21821, 13.64699, 6.67831, 10.06077, 13.6108, 5.87124, 10.92218, 7.51529, 5.25794, 8.87729, 10.84399, 11.34674, 10.94509, 14.59223, 11.06925, 13.19497, 6.47389, 6.78822, 6.4389, 9.12295, 8.65326, 9.05491, 5.40777, 13.21178, 13.5611, 10.87705, 8.93075, 6.80503, 13.52611, 10.93441, 6.78179, 6.35301, 14.74206, 11.12271, 9.15601, 14.12876, 9.07782, 12.48471, 12.14464, 6.40903, 12.64682, 13.32169, 9.93923, 6.3892, 10.54311, 5.18799, 9.2465, 13.33566, 6.42042, 10.68498, 12.88247, 6.802, 7.56753, 14.72032, 8.82919, 9.16692, 7.85482, 12.48797, 11.95519, 6.32865, 10.79429, 10.64638, 7.2541, 11.13306, 11.78412, 7.46564, 12.78519, 9.36842, 8.29869, 12.95611, 10.59494, 6.88531, 11.39764, 9.40227, 9.59375, 13.70624, 10.63734, 8.28218, 12.80969, 8.01894, 9.18365, 12.50336, 12.80394, 7.4054, 10.00759, 12.76072, 6.83955, 10.75313, 8.05168, 6.29771, 9.21857, 10.64771, 10.23339, 13.04314, 11.83817, 8.02489, 11.4377, 7.40495, 7.17731, 8.83358, 11.83239, 8.81838, 10.01522, 13.26515, 7.10649, 9.28657, 8.22408, 9.58846, 11.15598, 13.3062, 9.74809, 13.02293, 8.20943, 10.3603, 13.39313, 9.38622, 6.82376, 8.61011, 9.38995, 9.001, 10.74708, 6.7443, 11.51156, 12.56323, 11.81736, 8.01697, 7.7577, 11.78628, 11.04382, 10.75284, 13.54217, 11.72038, 12.98662, 9.39768, 10.80799, 12.46018, 7.26322, 9.63391, 8.85262, 13.28953, 8.06381, 8.57976, 7.44923, 7.51447, 7.24846, 9.34378, 10.36609, 11.14738, 6.71047, 11.93619, 11.42024, 12.55077, 8.95618, 9.24716, 6.45783, 12.48553, 12.75154, 10.65622, 9.19201, 7.53982, 12.73678, 8.27962, 7.01338, 10.60232, 10.999, 9.25292, 13.2557, 11.98303, 12.2423, 8.21372, 8.48844, 7.43677, 8.18264, 10.41154, 8.84402, 6.6938, 13.17624, 11.38989, 10.61005, 11.18162, 9.98478, 6.73485, 9.6397, 6.60687, 10.61378, 12.89351, 10.71343, 11.77592, 10.25191, 6.97707, 11.79057, 11.97511, 8.5623, 12.59505, 12.82269, 11.16642, 8.16761, 9.76661, 6.95686, 8.16183, 10.81635, 7.49664, 7.19606, 13.70229, 10.78143, 9.35229, 13.16045, 9.24687, 11.94832, 11.71782, 7.19031, 11.98106, 12.5946, 9.99241, 7.23928, 10.40625, 6.29376, 9.36266, 12.7459, 8.86694, 8.21588, 13.11469, 8.60236, 10.59773, 11.70131, 7.04389, 9.40506, 12.53436, 7.21481, 10.63158, 12.14518, 7.51203, 8.04481, 13.67135, 9.20571, 9.35362]]},
 "stress": {"__ndarray__": [[6], "float64", [7.257626811577052e-05, 0.00010299738359532552, 0.00010888936821015931, 1.8437417957859145e-05, -1.8362519848348546e-05, -9.199984451551922e-06]]},
 "unique_id": "2756df106436304af66642334baf977f",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}