{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [15.970103758, 0.917915109, 0.28577595, 0.915129106, 16.376960142, 0.291038961, 0.285663385, 0.291459329, 14.835738626]]},
 "ctime": 20.602647156942332,
 "energy": -596.92345676,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.007792, 0.036312, 0.053055, -0.026581, 0.065116, -0.12727, 0.006346, 0.016731, -0.17106, 0.026318, -0.05312, 0.017121, 0.092416, -0.120284, 0.148421, 0.174289, -0.002067, -0.157735, 0.071361, -0.138134, 0.083272, 0.056896, -0.046688, -0.086594, -0.036843, 0.094543, -0.051174, 0.146786, -0.134278, 0.089864, 0.058389, 0.034937, 0.192544, -0.093012, 0.030835, -0.064064, -0.107797, 0.041068, -0.113148, -0.047769, 0.201796, 0.044097, -0.055316, -0.079637, 0.181366, -0.041023, 0.146285, -0.159769, -0.159408, -0.242081, 0.185209, 0.025158, 0.073747, -0.008519, 0.056368, -0.025238, -0.038113, -0.075828, -0.080565, -0.045628, -0.030329, -0.056555, -0.136746, -0.044527, -0.004037, 0.116011, 0.076721, -0.053614, -0.010129, -0.049624, -0.071127, 0.083294, 0.089831, -0.064615, 0.065469, 0.050614, -0.068481, 0.088804, 0.031931, 0.03442, 0.05561, -0.027236, 0.024388, -0.142903, 0.059899, -0.082697, 0.091694, -0.176902, -0.060936, -0.063088, 0.084969, 0.191776, 0.031056, 0.001766, -0.104437, 0.088038, -0.080156, 0.02122, -0.119982, -0.029944, 0.087199, -0.030533, 0.016469, -0.042746, -0.00662, 0.032043, 0.073802, -0.045195, 0.001959, 0.051915, 0.083179, 0.114152, -0.123123, 0.102676, -0.148987, 0.005705, 0.021962, -0.068299, 0.028298, -0.023796, 0.008659, 0.221235, 0.140899, -0.100784, 0.074791, -0.176263, -0.025974, -0.004594, -0.15021, 0.005694, -0.153011, 0.22813, -0.0355, -0.03756, -0.028822, -0.084952, -0.081288, -0.084279, 0.126766, -0.013184, 0.136552, 0.001113, -0.001077, 0.017374, -0.036532, 0.136681, -0.129442, 0.072874, 0.123661, -0.133032, -0.058743, -0.101903, 0.021419, -0.030273, 0.01748, -0.07093, -0.051424, -0.103477, 0.05784, -0.040608, 0.037509, -0.041938, 0.301536, 0.000507, -0.144852, -0.013317, 0.100531, 0.157581, 0.082818, 0.053203, 0.092276, -0.007097, -0.141594, -0.097309, -0.039394, -0.064728, -0.031406, -0.048939, -0.057762, 0.022522, -0.096587, 0.005985, -0.102167, 0.011816, 0.082351, -0.110571, 0.268073, -0.00331, 0.004461, -0.077176, -0.036143, 0.0053, -0.015401, 0.020323, 0.122032, -0.034939, 0.137275, 0.041266, -0.029116, 0.096471, -0.011015, -0.089134, -0.034848, 0.010226, -0.019716, 0.10225, -0.148315, -0.092199, -0.001654, 0.079011, 0.050322, 0.072904, 0.112843, -0.104351, 0.130201, 0.023127, 0.162623, -0.173406, -0.161576, 0.064375, 0.015305, -0.011301, -0.083662, -0.034368, 0.027953, 0.038391, 0.075615, 0.034558, 0.192131, -0.03052, -0.041581, -0.154264, -0.035486, 0.11896]]},
 "free_energy": -596.92347429,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.33641958574074,
 "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", [5.86016, 11.94063, 10.39494, 4.57181, 10.11953, 10.29843, 7.94153, 13.55616, 8.81818, 4.41857, 9.83717, 5.28039, 4.6707, 7.07728, 10.12649, 4.40324, 7.60992, 5.36239, 8.96716, 13.65156, 6.80543, 6.1001, 5.35361, 10.21195, 9.88303, 9.66562, 12.39556, 11.2368, 10.99537, 11.19993, 6.33072, 5.14397, 5.14719, 12.92484, 11.03409, 8.61497, 10.09511, 8.88581, 3.04255, 8.50756, 4.57063, 5.02289, 13.33819, 9.90133, 6.70884, 12.00263, 8.82583, 4.17877, 11.22907, 4.79645, 6.56227, 12.02031, 5.36755, 8.56094, 6.39265, 11.2042, 9.77242, 5.18575, 9.39657, 8.35196, 5.50723, 9.89277, 9.7573, 6.18819, 11.33067, 7.24989, 6.71275, 11.81359, 8.4034, 5.33593, 10.13853, 7.22014, 8.06011, 12.52044, 8.44959, 6.93607, 11.33952, 5.97942, 7.78891, 10.99144, 10.33673, 6.14566, 8.64967, 10.37251, 5.33088, 9.52831, 5.81894, 5.27825, 7.95855, 8.30953, 8.74403, 11.7296, 9.55154, 6.54956, 10.21208, 5.21944, 5.62489, 7.40213, 9.67489, 7.33983, 8.69048, 11.00795, 5.37363, 7.9331, 5.78574, 8.15781, 9.90825, 11.07515, 8.24885, 11.80692, 5.93547, 8.88234, 12.58259, 7.07799, 5.49858, 7.28058, 7.15025, 7.51782, 9.51598, 4.49871, 10.05108, 11.36278, 9.50002, 6.60049, 6.1488, 9.63386, 9.6215, 9.53955, 11.33106, 10.26734, 11.90839, 7.12688, 9.21543, 11.09575, 5.19002, 8.27988, 7.56188, 10.94649, 6.56861, 7.30039, 5.06926, 6.35026, 6.11532, 7.09718, 8.85119, 9.97575, 4.44745, 10.66601, 10.3828, 10.48206, 7.51996, 8.04673, 4.45055, 10.82625, 11.45733, 8.28965, 7.97731, 6.42729, 10.19468, 6.96814, 5.65724, 8.2224, 9.59467, 8.06135, 10.98577, 10.50336, 11.13141, 5.89731, 6.89843, 5.92981, 5.68212, 8.92806, 7.64581, 4.3779, 12.00083, 10.48274, 8.36138, 9.81507, 8.85973, 4.1056, 8.39672, 5.31043, 8.16386, 11.58761, 9.60441, 9.54987, 8.97975, 5.81763, 9.41419, 10.58124, 7.45193, 10.20536, 11.38128, 10.10014, 5.82473, 8.44379, 5.48739, 5.64312, 9.36254, 6.56239, 5.0739, 12.28593, 9.71101, 6.99404, 11.58118, 8.24986, 9.47928, 10.28881, 6.29747, 9.44473, 11.17701, 8.90378, 4.90558, 9.10862, 5.24762, 7.00682, 11.35137, 7.76492, 5.87813, 11.87494, 7.51947, 8.23667, 10.59414, 5.61614, 6.94053, 11.25736, 6.11833, 8.293, 10.57836, 6.64795, 5.84209, 12.02879, 8.20786, 7.07158]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00038606854698150896, 0.0005527293236608436, 0.0012203835548565758, -0.0002957851174756076, -0.0003098846865909779, -0.0004305018504486719]]},
 "unique_id": "7d8552eee5f28eaf70446e6e2ac49303",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}