{"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": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.771454410213895,
 "energy": -165.0686304,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.007059, -0.0, -0.000721, -0.006474, 0.00139, -0.004573, -0.006474, -0.00139, -0.004573, 0.0, -0.0, 0.008031, 0.0, -0.001981, -0.00497, 0.0, 0.001981, -0.00497, 0.007059, -0.0, -0.000721, 0.006474, 0.00139, -0.004573, 0.006474, -0.00139, -0.004573, 0.000361, 0.000207, -0.000922, 0.000361, -0.000207, -0.000922, -0.001836, -0.0, -0.005448, -0.000361, 0.000207, -0.000922, -0.000361, -0.000207, -0.000922, 0.001836, -0.0, -0.005448, 0.0, 0.005966, -0.0018, 0.0, -0.005966, -0.0018, 0.0, -0.0, 0.001702, -0.001497, 0.0, -0.00451, -0.002192, 0.002231, -9.8e-05, -0.002192, -0.002231, -9.8e-05, 0.0, -0.0, -0.002345, 0.0, 0.00122, -0.005624, 0.0, -0.00122, -0.005624, 0.001497, 0.0, -0.00451, 0.002192, 0.002231, -9.8e-05, 0.002192, -0.002231, -9.8e-05, -0.002489, 0.002424, 0.005338, -0.002489, -0.002424, 0.005338, -0.00107, -0.0, 0.001353, 0.002489, 0.002424, 0.005338, 0.002489, -0.002424, 0.005338, 0.00107, -0.0, 0.001353, 0.0, -0.003127, -0.004957, 0.0, 0.003127, -0.004957, 0.0, -0.0, -0.007862, -0.00169, -0.0, -0.256937, -0.00309, 0.000201, -0.255843, -0.00309, -0.000201, -0.255843, 0.0, -0.0, -0.259789, 0.0, 0.001217, -0.260296, 0.0, -0.001217, -0.260296, 0.00169, -0.0, -0.256937, 0.00309, 0.000201, -0.255843, 0.00309, -0.000201, -0.255843, 0.000205, -8.8e-05, 0.262394, 0.000205, 8.8e-05, 0.262394, 0.000308, -0.0, 0.262207, -0.000205, -8.8e-05, 0.262394, -0.000205, 8.8e-05, 0.262394, -0.000308, -0.0, 0.262207, 0.0, -0.000343, 0.263196, 0.0, 0.000343, 0.263196, 0.0, -0.0, 0.263306, 0.0, -0.0, 0.008782]]},
 "free_energy": -165.10693227,
 "key_value_pairs": {"str_E": -165.06863, "slab_E": -165.0637, "atom_E": 0.0017485894, "ads_E": -0.0066785894000016555, "distance": 3.56828, "Dipole_val": -0.0170921, "plane_index": 100, "ads_site": "1b"},
 "magmom": -7.3e-06,
 "mtime": 24.982325849125804,
 "numbers": {"__ndarray__": [[55], "int32", [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, 2]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.4867, 1.48256, 11.73382, 1.48741, 4.44747, 11.74017, 1.48741, 7.413, 11.74017, 4.44768, 1.48256, 11.73296, 4.44768, 4.44803, 11.74207, 4.44768, 7.41244, 11.74207, 7.40866, 1.48256, 11.73382, 7.40794, 4.44747, 11.74017, 7.40794, 7.413, 11.74017, 2.96601, 8.89368, 9.71919, 2.96601, 2.96679, 9.71919, 2.96612, 5.93024, 9.72309, 5.92934, 8.89368, 9.71919, 5.92934, 2.96679, 9.71919, 5.92923, 5.93024, 9.72309, 0.0, 8.89238, 9.7248, 0.0, 2.96809, 9.7248, 0.0, 5.93024, 9.72561, 1.482, 1.48256, 7.67005, 1.48242, 4.44779, 7.66842, 1.48242, 7.41267, 7.66842, 4.44768, 1.48256, 7.666, 4.44768, 4.44831, 7.66771, 4.44768, 7.41216, 7.66771, 7.41336, 1.48256, 7.67005, 7.41293, 4.44779, 7.66842, 7.41293, 7.41267, 7.66842, 2.96511, 8.89498, 5.61237, 2.96511, 2.96549, 5.61237, 2.96502, 5.93024, 5.61294, 5.93024, 8.89498, 5.61237, 5.93024, 2.96549, 5.61237, 5.93033, 5.93024, 5.61294, 0.0, 0.00078, 5.61456, 0.0, 2.96433, 5.61456, 0.0, 5.93024, 5.6147, 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, 0.0, 1.48256, 15.31035]]},
 "stress": {"__ndarray__": [[6], "float64", [0.011419596168407651, 0.011422879202207867, 0.0020040362331568483, -0.0, -0.0, -0.0]]},
 "unique_id": "2836314b3ec9ac7e31b82c19cf725f10",
 "user": "hecc"},
"ids": [1],
"nextid": 2}