{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [15.424810262, 0.240843782, -0.496772843, 0.240202705, 16.504851087, -0.054579361, -0.497686503, -0.054413746, 15.636242222]]},
 "ctime": 20.602622581427052,
 "energy": -619.085692,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.004975, -0.247642, -0.267501, 0.112788, 0.230808, -0.063585, 0.042976, 0.138329, 0.075334, -0.09089, -0.371163, 0.055973, 0.046291, -0.03899, 0.00418, -0.077254, 0.129384, -0.02799, -0.048945, -0.229615, -0.054576, -0.035875, -0.099153, 0.036135, 0.219417, 0.037268, -0.110201, -0.030294, -0.091954, -0.287195, 0.21783, 0.043035, 0.299823, 0.146266, 0.210832, -0.008911, 0.3164, -0.389734, -0.004207, 0.276102, 0.038437, -0.027615, 0.094103, -0.263614, -0.129497, 0.084693, -0.133936, 0.268255, -0.164912, -0.087249, -0.239859, 0.225414, 0.209992, -0.173234, 0.339604, 0.089752, 0.043083, -0.064924, -0.239671, -0.05152, 0.132234, -0.025966, -0.066357, 0.041463, 0.06921, 0.078151, 0.172746, 0.075462, -0.24253, -0.062673, 0.054404, 0.211986, -0.198261, -0.122192, 0.133722, -0.105971, -0.033057, -0.379459, -0.107676, 0.076345, 0.10437, -0.122618, -0.013302, 0.503404, -0.028445, 0.231663, -0.231871, -0.262256, 0.111588, 0.012123, 0.025328, 0.064905, -0.164134, 0.297779, -0.007602, -0.481642, -0.028368, 0.256357, 0.239823, -0.068023, 0.102211, 0.034922, 0.053579, 0.005337, -0.417055, -0.034233, -0.45783, 0.063079, -0.03532, -0.070301, 0.238327, -0.168217, 0.000347, -0.104601, -0.29441, 0.060173, 0.153622, -0.154052, 0.26555, 0.366773, -0.539984, 0.249751, 0.011266, 0.1017, 0.052968, 0.011563, -0.016343, 0.073424, 0.21215, -0.422057, 0.349231, 0.085044, -0.207086, 0.207668, -0.014262, -0.373438, -0.145721, 0.171875, -0.050372, 0.063341, 0.004558, 0.070566, -0.240842, -0.04936, 0.073155, 0.066114, 0.093476, 0.088949, 0.12876, 0.217121, -0.075877, 0.045098, -0.365006, -0.40544, 0.328041, 0.171455, -0.155001, 0.231068, -0.240522, 0.162133, -0.479418, 0.029185, -0.146795, -0.170298, -0.274633, 0.378245, 0.336242, 0.087413, 0.182629, 0.054193, 0.076283, 0.048925, 0.127577, 0.173177, -0.208436, -0.393732, -0.259488, 0.262035, -0.58246, 0.346212, 0.177777, 0.017611, -0.002601, -0.31477, 0.335082, -0.217861, -0.237442, 0.113627, 0.179927, 0.259497, 0.017305, -0.070173, 0.057333, -0.04077, 0.115838, 0.139858, -0.14729, -0.031221, -0.055721, -0.220158, 0.216503, 0.052976, -0.271612, 0.185686, 0.568038, 0.016816, -0.161007, -0.202633, 0.090917, -0.168746, 0.116947, -0.20427, -0.000769, -0.036015, 0.301302, -0.005593, 0.131457, -0.000718, 0.159425, 0.045759, -0.231314, -0.101912, 0.298161, 0.037463, -0.147431, 0.047344, 0.118838, 0.016317, 0.111039, -0.18914, -0.022136, -0.082336, -0.227906, 0.001648, 0.078405, 0.244951, 0.176006, -0.271868, -0.086591, 0.046691, 0.152906, 0.174776, 0.080624, 0.014503, 0.210369, -0.234359, -0.239612, 0.302111, 0.000664, -0.245483, -0.240825, 0.107431]]},
 "free_energy": -619.09109285,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.098855871874036,
 "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", [5.05638, 11.63368, 10.0226, 2.934, 9.20889, 8.29414, 3.75922, 10.00146, 9.98471, 4.56707, 11.92901, 6.42266, 5.29962, 12.55355, 8.19051, 3.28657, 10.23351, 6.55786, 7.31802, 13.1969, 8.19752, 5.96377, 11.80392, 4.83262, 6.75669, 11.24541, 11.14354, 4.31137, 8.38168, 11.19849, 3.64054, 9.12118, 4.80089, 3.11556, 7.11308, 8.07093, 8.18746, 12.50018, 9.98602, 5.21456, 10.02519, 3.73354, 3.87668, 6.61708, 10.05716, 6.13885, 8.72341, 12.09769, 3.61699, 7.06291, 5.28825, 8.12437, 12.9009, 6.29547, 10.28516, 12.42335, 6.66852, 7.12674, 6.67415, 12.28063, 5.07862, 6.14271, 3.83636, 9.22491, 7.53978, 12.1997, 10.47134, 11.18419, 4.76632, 5.57323, 4.41939, 5.25192, 5.58884, 10.87393, 9.41781, 4.01435, 9.08101, 8.13239, 4.64516, 9.62263, 9.46454, 5.21695, 11.082, 6.70549, 5.85239, 11.61421, 8.05724, 4.27481, 9.81238, 6.75893, 7.36647, 12.10041, 8.07322, 6.14583, 10.92206, 5.48146, 6.9421, 10.74008, 10.17122, 5.02972, 8.36072, 10.36101, 4.5332, 8.96223, 5.4387, 4.14382, 7.53794, 8.11923, 8.01901, 11.58053, 9.38673, 5.69855, 9.6575, 4.65632, 4.71191, 7.09604, 9.51836, 6.40675, 8.3689, 11.08707, 4.62868, 7.40781, 5.55755, 7.35208, 9.37772, 10.57931, 7.59938, 10.98064, 5.76005, 8.19321, 11.90208, 6.7544, 4.81242, 6.92829, 6.93707, 6.83124, 8.74883, 4.28738, 9.28018, 10.80207, 9.17186, 5.85314, 6.16361, 9.40037, 8.637, 8.96817, 10.68481, 9.71665, 11.49666, 6.78456, 8.54689, 10.30478, 5.07495, 7.30188, 7.05868, 11.26616, 5.64147, 6.5414, 4.69481, 5.53342, 5.793, 6.97122, 8.19699, 9.18003, 4.30277, 9.6306, 9.65517, 9.96823, 6.80178, 7.36292, 4.26853, 10.05684, 10.77585, 8.03131, 6.9845, 6.10036, 10.19311, 6.08362, 5.4038, 8.20262, 8.79731, 7.55252, 11.18405, 9.95738, 10.58005, 5.52391, 6.0778, 5.33143, 5.62528, 8.17154, 6.88865, 4.28903, 10.93151, 9.62092, 8.09635, 9.04409, 8.05745, 4.26149, 7.37014, 4.8339, 8.24537, 10.6777, 8.94412, 9.3535, 7.96024, 5.29437, 9.49133, 9.72171, 6.81795, 10.22964, 10.64582, 9.26229, 5.71523, 7.55992, 5.06413, 5.78679, 8.54561, 5.77378, 5.03902, 11.2023, 8.87032, 6.96177, 10.65017, 7.51951, 9.43772, 9.30567, 5.66339, 9.49387, 10.23619, 8.09991, 5.03127, 8.11854, 4.75133, 7.04241, 10.62847, 6.90866, 5.80504, 10.96341, 6.73973, 8.22744, 9.53364, 5.121, 7.06519, 10.11153, 5.56985, 8.25793, 9.81865, 5.77135, 5.8101, 11.23788, 7.39503, 7.02303]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.001351417797445369, -0.0005476237691958713, -0.0010716795999324072, 0.0006567815222984436, -0.00045420710210877644, -0.0006165674790003777]]},
 "unique_id": "c4b15e2f6a90f4f5f76bbea826d21060",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}