{"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": 20.63617512472999,
 "energy": -595.93547874,
 "forces": {"__ndarray__": [[78, 3], "float64", [-7.2e-05, -0.001362, 0.005602, -0.001431, -0.001722, -0.004444, 0.003869, 0.004674, -0.001114, -0.001819, -0.001834, 0.003281, -0.002001, -0.000358, -0.00331, 0.000328, 0.000413, 0.000375, -0.000839, -0.002251, 0.001787, 0.003429, 0.002974, 0.001154, -0.000145, -0.000781, 0.001137, -0.000328, -0.000413, -0.000375, 0.000145, 0.000781, -0.001137, 0.001819, 0.001834, -0.003281, -0.003429, -0.002974, -0.001154, 0.002001, 0.000358, 0.00331, 0.000839, 0.002251, -0.001787, -0.003869, -0.004674, 0.001114, 7.2e-05, 0.001362, -0.005602, 0.001431, 0.001722, 0.004444, -0.000885, 0.001025, -0.003719, -0.000617, 0.002912, 0.004916, -0.002767, 0.002858, -0.001206, -0.00212, -0.002525, 0.001835, -0.004951, 0.000924, 0.00078, -0.002603, 0.002165, 0.000952, 0.00141, 0.002539, -0.001691, 0.003984, 0.006596, 0.002449, 0.000556, -0.000621, 0.002598, 0.003404, 0.001316, 0.004419, -0.003395, -0.000719, -0.000936, -0.001544, 0.001318, -0.002599, 0.005296, -0.006955, 0.002372, 0.002438, -0.003089, 0.001639, 0.001247, 0.001125, -0.004297, -0.001978, 0.000125, -0.000495, 0.000944, 0.001812, -0.000849, -0.001472, 0.00365, 0.001972, -0.003082, 0.00129, -0.001059, -0.002106, -0.000795, 0.000617, -0.003068, -0.000688, 0.000562, 0.004072, -0.000229, -0.003011, -0.001912, -0.000163, 0.007463, 0.003333, -0.005916, 0.000265, -0.004057, -0.002993, 0.001781, 0.001095, -0.003041, 0.000793, 0.003457, -0.002297, 0.00123, 0.005518, -0.001189, -0.003952, 0.000117, -0.002624, 0.004347, -0.005187, 0.003526, -0.000164, -0.005518, 0.001189, 0.003952, -0.000117, 0.002624, -0.004347, 0.004057, 0.002993, -0.001781, 0.005187, -0.003526, 0.000164, -0.003457, 0.002297, -0.00123, -0.001095, 0.003041, -0.000793, -0.004072, 0.000229, 0.003011, -0.003333, 0.005916, -0.000265, 0.001912, 0.000163, -0.007463, 0.001472, -0.00365, -0.001972, 0.003068, 0.000688, -0.000562, 0.001978, -0.000125, 0.000495, 0.002106, 0.000795, -0.000617, -0.000944, -0.001812, 0.000849, 0.003082, -0.00129, 0.001059, -0.002438, 0.003089, -0.001639, -0.001247, -0.001125, 0.004297, -0.005296, 0.006955, -0.002372, -0.000556, 0.000621, -0.002598, 0.001544, -0.001318, 0.002599, 0.003395, 0.000719, 0.000936, -0.003984, -0.006596, -0.002449, -0.003404, -0.001316, -0.004419, -0.00141, -0.002539, 0.001691, 0.002767, -0.002858, 0.001206, 0.002603, -0.002165, -0.000952, 0.004951, -0.000924, -0.00078, 0.00212, 0.002525, -0.001835, 0.000885, -0.001025, 0.003719, 0.000617, -0.002912, -0.004916]]},
 "free_energy": -595.935485,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.580685797324893,
 "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", [7.25795, 13.28171, 12.50136, 5.23745, 11.01638, 10.91565, 6.6737, 13.5684, 9.1396, 8.16014, 9.88096, 14.5607, 5.9416, 9.16854, 7.35093, 9.59455, 11.70502, 14.66765, 9.65931, 14.18244, 7.30879, 10.53912, 14.84424, 9.35537, 5.54545, 7.89168, 9.25006, 10.40545, 8.29498, 5.33235, 14.45455, 12.10832, 10.74994, 11.83986, 10.11904, 5.4393, 9.46088, 5.15576, 10.64463, 14.0584, 10.83146, 12.64907, 10.34069, 5.81756, 12.69121, 13.3263, 6.4316, 10.8604, 12.74205, 6.71829, 7.49864, 14.76255, 8.98362, 9.08435, 7.86831, 12.52212, 11.96739, 6.29648, 10.77808, 10.67802, 7.19389, 11.19268, 11.8528, 7.44454, 12.79263, 9.33633, 8.24219, 13.04855, 10.57461, 6.77816, 11.41202, 9.41224, 9.55728, 13.36064, 10.54808, 8.38981, 12.62407, 8.14508, 9.24133, 12.34546, 12.61813, 7.63672, 10.0882, 12.49399, 7.09384, 10.69858, 8.30834, 6.53288, 9.26816, 10.61607, 10.17818, 12.90567, 11.79772, 8.10461, 11.43448, 7.53933, 7.25004, 8.90293, 11.71911, 8.66398, 10.01705, 13.58776, 6.7993, 9.25107, 8.04129, 9.60604, 11.29247, 13.64147, 9.7317, 13.30315, 7.97588, 10.38046, 13.75157, 9.35366, 6.51, 8.42114, 9.36252, 9.0588, 10.70023, 6.73975, 11.56954, 12.51411, 11.79316, 8.08173, 7.72284, 11.77147, 10.99134, 10.71266, 13.30594, 11.72009, 13.0134, 9.41188, 10.7517, 12.28946, 7.42885, 9.60873, 8.8466, 13.30338, 8.04281, 8.59669, 7.43397, 7.677, 7.41879, 9.40225, 10.39127, 11.1534, 6.69662, 11.95719, 11.40331, 12.56603, 9.00866, 9.28734, 6.69406, 12.323, 12.58121, 10.59775, 9.2483, 7.71054, 12.57115, 8.27991, 6.9866, 10.58812, 10.9412, 9.29977, 13.26025, 11.91827, 12.27716, 8.22853, 8.43046, 7.48589, 8.20684, 10.39396, 8.70753, 6.35853, 13.49, 11.57886, 10.63748, 11.33602, 9.98295, 6.41224, 9.61954, 6.24843, 10.64634, 13.2007, 10.74893, 11.95871, 10.2683, 6.69685, 12.02412, 11.89539, 8.56552, 12.46067, 12.74996, 11.09707, 8.28089, 9.82182, 7.09433, 8.20228, 10.75867, 7.65454, 7.38187, 13.46712, 10.73184, 9.38393, 12.90616, 9.30142, 11.69166, 11.61019, 7.37593, 11.85492, 12.36328, 9.9118, 7.50601, 10.44272, 6.63936, 9.45192, 12.80611, 8.80732, 8.1472, 13.22184, 8.58798, 10.58776, 11.75781, 6.95145, 9.42539, 12.55546, 7.20737, 10.66367, 12.13169, 7.47788, 8.03261, 13.70352, 9.22192, 9.32198]]},
 "stress": {"__ndarray__": [[6], "float64", [9.502073493244672e-05, 2.9091674035741867e-05, 8.771816925516331e-05, -7.577192078822275e-06, -2.3131032820523357e-05, 6.1104374342397095e-06]]},
 "unique_id": "8a61ef9d9556e6322a30c754e2c0ceb0",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}