{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.80011, 0.0, 0.0, 0.0, 8.80011, 0.0, 0.0, 0.0, 33.187293]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}],
 "ctime": 23.7714546404571,
 "energy": -142.76576222,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.0, -0.004097, -0.0, -0.005272, -0.001442, -0.0, 0.0, -0.007243, -0.0, 0.005272, -0.001442, -0.00221, -0.001794, -0.000192, 0.002714, 0.0, -0.001594, -0.00221, 0.001794, -0.000192, 0.00221, -0.001794, -0.000192, -0.002714, 0.0, -0.001594, 0.00221, 0.001794, -0.000192, 0.000336, -0.002364, -0.000629, 0.000336, 0.002364, -0.000629, 0.003189, 0.0, -0.002488, -0.000336, -0.002364, -0.000629, -0.000336, 0.002364, -0.000629, -0.003189, 0.0, -0.002488, -0.0, -0.000371, 0.006, -0.0, 0.000371, 0.006, -0.0, 0.0, -0.005703, -0.0, 0.005484, -0.000781, -0.0, 0.0, -0.002324, -0.0, -0.005484, -0.000781, -0.001402, -0.004085, -0.004089, 0.000435, 0.0, -0.004677, -0.001402, 0.004085, -0.004089, 0.001402, -0.004085, -0.004089, -0.000435, 0.0, -0.004677, 0.001402, 0.004085, -0.004089, -0.000104, 0.003172, 0.000165, -0.000104, -0.003172, 0.000165, -0.005333, 0.0, 0.001678, 0.000104, 0.003172, 0.000165, 0.000104, -0.003172, 0.000165, 0.005333, 0.0, 0.001678, -0.0, 0.003428, -0.000191, -0.0, -0.003428, -0.000191, -0.0, 0.0, 0.001136, -0.0, 0.036079, -0.096484, -0.0, 0.0, -0.118172, -0.0, -0.036079, -0.096484, 0.00484, -0.033836, -0.111127, 0.030285, 0.0, -0.111541, 0.00484, 0.033836, -0.111127, -0.00484, -0.033836, -0.111127, -0.030285, 0.0, -0.111541, -0.00484, 0.033836, -0.111127, 0.016373, 0.009831, 0.112331, 0.016373, -0.009831, 0.112331, -0.015768, 0.0, 0.107516, -0.016373, 0.009831, 0.112331, -0.016373, -0.009831, 0.112331, 0.015768, 0.0, 0.107516, -0.0, 0.01702, 0.121739, -0.0, -0.01702, 0.121739, -0.0, 0.0, 0.1151]]},
 "free_energy": -142.76991747,
 "key_value_pairs": {"str_E": -142.76576, "slab_E": -138.95552, "atom_E": -0.83008219, "ads_E": -2.980157809999993, "distance": 1.68728, "Dipole_val": 0.538359, "plane_index": 100, "ads_site": "1b"},
 "magmom": -5e-06,
 "mtime": 25.0942715978177,
 "numbers": {"__ndarray__": [[55], "int32", [14, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.46669, 0.0, 13.54795, 1.46669, 1.61381, 11.78661, 1.46669, 4.40006, 11.79379, 1.46669, 7.1863, 11.78661, 4.36993, 1.46014, 11.86066, 4.39445, 4.40006, 11.79296, 4.36993, 7.33997, 11.86066, 7.36354, 1.46014, 11.86066, 7.33903, 4.40006, 11.79296, 7.36354, 7.33997, 11.86066, 8.78672, 2.94284, 9.73022, 8.78672, 5.85727, 9.73022, 0.00506, 0.0, 9.77827, 2.94676, 2.94284, 9.73022, 2.94676, 5.85727, 9.73022, 2.9283, 0.0, 9.77827, 5.86674, 2.91413, 9.79948, 5.86674, 5.88598, 9.79948, 5.86674, 0.0, 9.8233, 1.46669, 1.4648, 7.68438, 1.46669, 4.40006, 7.6624, 1.46669, 7.33531, 7.68438, 4.40701, 1.45838, 7.69786, 4.42043, 4.40006, 7.68021, 4.40701, 7.34173, 7.69786, 7.32646, 1.45838, 7.69786, 7.31305, 4.40006, 7.68021, 7.32646, 7.34173, 7.69786, 8.79753, 2.93311, 5.60335, 8.79753, 5.867, 5.60335, 8.79943, 0.0, 5.60725, 2.93595, 2.93311, 5.60335, 2.93595, 5.867, 5.60335, 2.93405, 0.0, 5.60725, 5.86674, 2.92375, 5.60363, 5.86674, 5.87636, 5.60363, 5.86674, 0.0, 5.60906, 1.46669, 1.46669, 3.52615, 1.46669, 4.40006, 3.52615, 1.46669, 7.33342, 3.52615, 4.40006, 1.46669, 3.52615, 4.40006, 4.40006, 3.52615, 4.40006, 7.33342, 3.52615, 7.33342, 1.46669, 3.52615, 7.33342, 4.40006, 3.52615, 7.33342, 7.33342, 3.52615, 0.0, 2.93337, 1.45194, 0.0, 5.86674, 1.45194, 0.0, 0.0, 1.45194, 2.93337, 2.93337, 1.45194, 2.93337, 5.86674, 1.45194, 2.93337, 0.0, 1.45194, 5.86674, 2.93337, 1.45194, 5.86674, 5.86674, 1.45194, 5.86674, 0.0, 1.45194]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0057606258137704565, 0.004591023177162067, 0.0010657376832445664, -0.0, -0.0, -0.0]]},
 "unique_id": "971e3d27cf48edd16299c42e79296b0f",
 "user": "hecc"},
"ids": [1],
"nextid": 2}