{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.80011, 0.0, 0.0, 0.0, 12.445235, 0.0, 0.0, 0.0, 32.26707]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}],
 "ctime": 23.771454733016576,
 "energy": -187.7721535,
 "forces": {"__ndarray__": [[73, 3], "float64", [-0.001324, -0.0015, 0.001634, -0.001324, 0.0015, 0.001634, -5.5e-05, -0.0, -0.002356, 0.001324, -0.0015, 0.001634, 0.001324, 0.0015, 0.001634, 5.5e-05, -0.0, -0.002356, -0.0, -0.00363, 0.001886, -0.0, 0.00363, 0.001886, -0.0, -0.0, 0.006873, -0.0, 0.000838, -0.003698, -0.0, -0.0, -0.001256, -0.0, -0.000838, -0.003698, -0.001313, 0.001952, -0.002279, 0.006487, -0.0, -0.00144, -0.001313, -0.001952, -0.002279, 0.001313, 0.001952, -0.002279, -0.006487, -0.0, -0.00144, 0.001313, -0.001952, -0.002279, -0.000303, -0.000844, -0.000265, -0.000303, 0.000844, -0.000265, 0.000634, -0.0, -0.000618, 0.000303, -0.000844, -0.000265, 0.000303, 0.000844, -0.000265, -0.000634, -0.0, -0.000618, -0.0, -0.001536, -0.001531, -0.0, 0.001536, -0.001531, -0.0, -0.0, 0.003455, -0.0, 0.00177, -0.000837, -0.0, -0.0, -0.006352, -0.0, -0.00177, -0.000837, 0.000481, -0.000471, -0.00387, -0.003145, -0.0, -0.004372, 0.000481, 0.000471, -0.00387, -0.000481, -0.000471, -0.00387, 0.003145, -0.0, -0.004372, -0.000481, 0.000471, -0.00387, 0.014935, -0.0067, -0.003074, 0.014935, 0.0067, -0.003074, 0.015871, -0.0, -0.013085, -0.014935, -0.0067, -0.003074, -0.014935, 0.0067, -0.003074, -0.015871, -0.0, -0.013085, -0.0, 0.015999, -0.00665, -0.0, -0.015999, -0.00665, -0.0, -0.0, 0.02784, -0.0, 0.016431, 0.047933, -0.0, -0.0, 0.006726, -0.0, -0.016431, 0.047933, -0.001701, -0.006417, -0.018221, -0.004495, -0.0, -0.019566, -0.001701, 0.006417, -0.018221, 0.001701, -0.006417, -0.018221, 0.004495, -0.0, -0.019566, 0.001701, 0.006417, -0.018221, 0.01095, 0.012116, -0.243081, 0.01095, -0.012116, -0.243081, 0.006413, -0.0, -0.262533, -0.01095, 0.012116, -0.243081, -0.01095, -0.012116, -0.243081, -0.006413, -0.0, -0.262533, -0.0, -0.000352, -0.248178, -0.0, 0.000352, -0.248178, -0.0, -0.0, -0.241679, -0.0, 0.002785, 0.267097, -0.0, -0.0, 0.24527, -0.0, -0.002785, 0.267097, 0.006177, 0.005343, 0.254507, -0.013381, -0.0, 0.260551, 0.006177, -0.005343, 0.254507, -0.006177, 0.005343, 0.254507, 0.013381, -0.0, 0.260551, -0.006177, -0.005343, 0.254507, -0.0, -0.0, -0.007481]]},
 "free_energy": -187.77722212,
 "key_value_pairs": {"str_E": -187.77215, "slab_E": -183.62805, "atom_E": -1.8878972, "ads_E": -2.2562028000000085, "distance": 1.66277, "Dipole_val": 1.8219, "plane_index": 110, "ads_site": "1b"},
 "magmom": 5e-07,
 "mtime": 25.153821952703552,
 "numbers": {"__ndarray__": [[73], "int32", [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, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 15]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.73422, 4.14574, 11.51335, 0.73422, 8.29949, 11.51335, 0.57586, 0.0, 11.55184, 3.66584, 4.14574, 11.51335, 3.66584, 8.29949, 11.51335, 3.8242, 0.0, 11.55184, 6.60008, 4.16543, 11.49602, 6.60008, 8.2798, 11.49602, 6.60008, 0.0, 11.48615, 2.20003, 2.03602, 10.22865, 2.20003, 6.22262, 10.1812, 2.20003, 10.40922, 10.22865, 5.1446, 2.09531, 10.14434, 5.12129, 6.22262, 10.16345, 5.1446, 10.34993, 10.14434, 8.05557, 2.09531, 10.14434, 8.07887, 6.22262, 10.16345, 8.05557, 10.34993, 10.14434, 0.7444, 4.13813, 8.64801, 0.7444, 8.30711, 8.64801, 0.72483, 0.0, 8.65423, 3.65565, 4.13813, 8.64801, 3.65565, 8.30711, 8.64801, 3.67522, 0.0, 8.65423, 6.60008, 4.17103, 8.6312, 6.60008, 8.2742, 8.6312, 6.60008, 0.0, 8.64648, 2.20003, 2.065, 7.21424, 2.20003, 6.22262, 7.20642, 2.20003, 10.38024, 7.21424, 5.13413, 2.07699, 7.19253, 5.12226, 6.22262, 7.20108, 5.13413, 10.36824, 7.19253, 8.06603, 2.07699, 7.19253, 8.0779, 6.22262, 7.20108, 8.06603, 10.36824, 7.19253, 0.73334, 4.14841, 5.72008, 0.73334, 8.29683, 5.72008, 0.73334, 0.0, 5.72008, 3.66672, 4.14841, 5.72008, 3.66672, 8.29683, 5.72008, 3.66672, 0.0, 5.72008, 6.60008, 4.14841, 5.72008, 6.60008, 8.29683, 5.72008, 6.60008, 0.0, 5.72008, 2.20003, 2.07421, 4.25338, 2.20003, 6.22262, 4.25338, 2.20003, 10.37103, 4.25338, 5.13339, 2.07421, 4.25338, 5.13339, 6.22262, 4.25338, 5.13339, 10.37103, 4.25338, 8.06677, 2.07421, 4.25338, 8.06677, 6.22262, 4.25338, 8.06677, 10.37103, 4.25338, 0.73334, 4.14841, 2.78671, 0.73334, 8.29683, 2.78671, 0.73334, 0.0, 2.78671, 3.66672, 4.14841, 2.78671, 3.66672, 8.29683, 2.78671, 3.66672, 0.0, 2.78671, 6.60008, 4.14841, 2.78671, 6.60008, 8.29683, 2.78671, 6.60008, 0.0, 2.78671, 2.20003, 2.07421, 1.32001, 2.20003, 6.22262, 1.32001, 2.20003, 10.37103, 1.32001, 5.13339, 2.07421, 1.32001, 5.13339, 6.22262, 1.32001, 5.13339, 10.37103, 1.32001, 8.06677, 2.07421, 1.32001, 8.06677, 6.22262, 1.32001, 8.06677, 10.37103, 1.32001, 2.20003, 0.0, 13.21461]]},
 "stress": {"__ndarray__": [[6], "float64", [0.004228123112055837, 0.003876095755846895, 0.0011776354588534015, -0.0, -0.0, -0.0]]},
 "unique_id": "fea41bd90f7b495ff4ccf5773cba33bc",
 "user": "hecc"},
"ids": [1],
"nextid": 2}