{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.895353, 0.0, 0.0, 0.0, 8.895353, 0.0, 0.0, 0.0, 33.546478]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}],
 "ctime": 23.771454401345945,
 "energy": -167.50853032,
 "forces": {"__ndarray__": [[55, 3], "float64", [0.0, 0.0, -0.006577, 0.001116, 0.001116, -0.000111, -0.001832, 0.0, -0.004912, 0.001116, -0.001116, -0.000111, 0.0, -0.001832, -0.004912, 0.0, 0.0, -0.002709, 0.0, 0.001832, -0.004912, -0.001116, 0.001116, -0.000111, 0.001832, 0.0, -0.004912, -0.001116, -0.001116, -0.000111, -0.001589, 0.0, -0.003153, -0.001254, -0.001254, 0.000538, -0.001254, 0.001254, 0.000538, 0.001589, 0.0, -0.003153, 0.001254, -0.001254, 0.000538, 0.001254, 0.001254, 0.000538, 0.0, 0.0, -0.007494, 0.0, -0.001589, -0.003153, 0.0, 0.001589, -0.003153, 0.000914, 0.000914, 0.00047, 0.00466, 0.0, 0.002365, 0.000914, -0.000914, 0.00047, 0.0, 0.00466, 0.002365, 0.0, 0.0, 0.010128, 0.0, -0.00466, 0.002365, -0.000914, 0.000914, 0.00047, -0.00466, 0.0, 0.002365, -0.000914, -0.000914, 0.00047, 0.000705, 0.0, 0.000137, 0.001159, 0.001159, -0.003595, 0.001159, -0.001159, -0.003595, -0.000705, 0.0, 0.000137, -0.001159, 0.001159, -0.003595, -0.001159, -0.001159, -0.003595, 0.0, 0.0, -0.009186, 0.0, 0.000705, 0.000137, 0.0, -0.000705, 0.000137, -0.008588, -0.008588, -0.277654, -0.02576, 0.0, -0.267593, -0.008588, 0.008588, -0.277654, 0.0, -0.02576, -0.267593, 0.0, 0.0, -0.28956, 0.0, 0.02576, -0.267593, 0.008588, -0.008588, -0.277654, 0.02576, 0.0, -0.267593, 0.008588, 0.008588, -0.277654, -0.000397, 0.0, 0.279892, 0.000473, 0.000473, 0.280962, 0.000473, -0.000473, 0.280962, 0.000397, 0.0, 0.279892, -0.000473, 0.000473, 0.280962, -0.000473, -0.000473, 0.280962, 0.0, 0.0, 0.276021, 0.0, -0.000397, 0.279892, 0.0, 0.000397, 0.279892]]},
 "free_energy": -167.54894289,
 "key_value_pairs": {"str_E": -167.50853, "slab_E": -165.0637, "atom_E": -0.0039355698, "ads_E": -2.440894430199996, "distance": 1.41013, "Dipole_val": -2.55503, "plane_index": 100, "ads_site": "2f"},
 "magmom": 1.37e-05,
 "mtime": 24.98239774632614,
 "numbers": {"__ndarray__": [[55], "int32", [12, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [0.0, 0.0, 13.20777, 1.58035, 1.58035, 11.79764, 1.49285, 4.44768, 11.73336, 1.58035, 7.315, 11.79764, 4.44768, 1.49285, 11.73336, 4.44768, 4.44768, 11.7219, 4.44768, 7.4025, 11.73336, 7.315, 1.58035, 11.79764, 7.4025, 4.44768, 11.73336, 7.315, 7.315, 11.79764, 2.95329, 0.0, 9.72691, 2.9749, 2.9749, 9.68122, 2.9749, 5.92045, 9.68122, 5.94206, 0.0, 9.72691, 5.92045, 2.9749, 9.68122, 5.92045, 5.92045, 9.68122, 0.0, 0.0, 9.78571, 0.0, 2.95329, 9.72691, 0.0, 5.94206, 9.72691, 1.47727, 1.47727, 7.68052, 1.47203, 4.44768, 7.65313, 1.47727, 7.41808, 7.68052, 4.44768, 1.47203, 7.65313, 4.44768, 4.44768, 7.62054, 4.44768, 7.42332, 7.65313, 7.41808, 1.47727, 7.68052, 7.42332, 4.44768, 7.65313, 7.41808, 7.41808, 7.68052, 2.95683, 0.0, 5.61148, 2.96078, 2.96078, 5.60207, 2.96078, 5.93457, 5.60207, 5.93853, 0.0, 5.61148, 5.93457, 2.96078, 5.60207, 5.93457, 5.93457, 5.60207, 0.0, 0.0, 5.61609, 0.0, 2.95683, 5.61148, 0.0, 5.93853, 5.61148, 1.48256, 1.48256, 3.56431, 1.48256, 4.44768, 3.56431, 1.48256, 7.41279, 3.56431, 4.44768, 1.48256, 3.56431, 4.44768, 4.44768, 3.56431, 4.44768, 7.41279, 3.56431, 7.41279, 1.48256, 3.56431, 7.41279, 4.44768, 3.56431, 7.41279, 7.41279, 3.56431, 2.96511, 0.0, 1.46766, 2.96511, 2.96511, 1.46766, 2.96511, 5.93024, 1.46766, 5.93024, 0.0, 1.46766, 5.93024, 2.96511, 1.46766, 5.93024, 5.93024, 1.46766, 0.0, 0.0, 1.46766, 0.0, 2.96511, 1.46766, 0.0, 5.93024, 1.46766]]},
 "stress": {"__ndarray__": [[6], "float64", [0.010358733103790404, 0.010358733103790404, 0.0021668272741781356, 0.0, -0.0, 0.0]]},
 "unique_id": "dd4bb13bb31223aba64a21b5e50418bf",
 "user": "hecc"},
"ids": [1],
"nextid": 2}