{"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": 23.77145443026757,
 "energy": -165.06653822,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.0, -0.0022, -0.0, -0.00198, -0.006426, -0.0, 0.00198, -0.006426, -0.00198, 0.0, -0.006426, 0.002721, 0.002721, -0.002646, 0.002721, -0.002721, -0.002646, 0.00198, 0.0, -0.006426, -0.002721, 0.002721, -0.002646, -0.002721, -0.002721, -0.002646, 0.004086, -0.004086, 0.005086, 0.004086, 0.004086, 0.005086, 0.001343, 0.0, -0.002381, -0.0, -0.001343, -0.002381, -0.0, 0.001343, -0.002381, -0.0, 0.0, 0.002352, -0.004086, -0.004086, 0.005086, -0.004086, 0.004086, 0.005086, -0.001343, 0.0, -0.002381, -0.0, 0.0, 0.006605, 0.0, 0.000645, 0.003834, -0.0, -0.000645, 0.003834, 0.000645, 0.0, 0.003834, 0.00112, 0.00112, -0.002106, 0.00112, -0.00112, -0.002106, -0.000645, -0.0, 0.003834, -0.00112, 0.00112, -0.002106, -0.00112, -0.00112, -0.002106, 0.001901, -0.001901, -0.00199, 0.001901, 0.001901, -0.00199, 0.005007, 0.0, 0.000733, -0.0, -0.005007, 0.000733, -0.0, 0.005007, 0.000733, -0.0, -0.0, 0.000573, -0.001901, -0.001901, -0.00199, -0.001901, 0.001901, -0.00199, -0.005007, 0.0, 0.000733, -0.0, 0.0, -0.270629, -0.0, -0.000401, -0.271144, -0.0, 0.000401, -0.271144, -0.000401, 0.0, -0.271144, 0.000832, 0.000832, -0.269154, 0.000832, -0.000832, -0.269154, 0.000401, 0.0, -0.271144, -0.000832, 0.000832, -0.269154, -0.000832, -0.000832, -0.269154, -1.2e-05, 1.2e-05, 0.271397, -1.2e-05, -1.2e-05, 0.271397, 6.4e-05, 0.0, 0.271429, 0.0, -6.4e-05, 0.271429, -0.0, 6.4e-05, 0.271429, -0.0, 0.0, 0.271521, 1.2e-05, 1.2e-05, 0.271397, 1.2e-05, -1.2e-05, 0.271397, -6.4e-05, 0.0, 0.271429, -0.0, 0.0, 0.005254]]},
 "free_energy": -165.22934957,
 "key_value_pairs": {"str_E": -165.06654, "slab_E": -165.0637, "atom_E": 0.0017485894, "ads_E": -0.00458858939999196, "distance": 3.70484, "Dipole_val": -0.0146042, "plane_index": 100, "ads_site": "0t"},
 "magmom": 2.2e-06,
 "mtime": 25.19495527443601,
 "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", [1.48256, 1.48256, 11.72168, 1.48256, 4.44718, 11.7239, 1.48256, 7.41329, 11.7239, 4.44718, 1.48256, 11.7239, 4.44597, 4.44597, 11.72207, 4.44597, 7.4145, 11.72207, 7.41329, 1.48256, 11.7239, 7.4145, 4.44597, 11.72207, 7.4145, 7.4145, 11.72207, 2.96389, 0.00122, 9.70683, 2.96389, 2.96389, 9.70683, 2.96432, 5.93024, 9.71036, 5.93024, 0.00079, 9.71036, 5.93024, 2.96432, 9.71036, 5.93024, 5.93024, 9.71119, 0.00122, 0.00122, 9.70683, 0.00122, 2.96389, 9.70683, 0.00079, 5.93024, 9.71036, 1.48256, 1.48256, 7.65572, 1.48256, 4.44825, 7.65875, 1.48256, 7.41222, 7.65875, 4.44825, 1.48256, 7.65875, 4.44779, 4.44779, 7.66106, 4.44779, 7.41268, 7.66106, 7.41222, 1.48256, 7.65875, 7.41268, 4.44779, 7.66106, 7.41268, 7.41268, 7.66106, 2.96534, 8.89513, 5.60852, 2.96534, 2.96534, 5.60852, 2.96492, 5.93024, 5.60858, 5.93024, 0.0002, 5.60858, 5.93024, 2.96492, 5.60858, 5.93024, 5.93024, 5.60956, 8.89513, 8.89513, 5.60852, 8.89513, 2.96534, 5.60852, 0.0002, 5.93024, 5.60858, 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, 1.48256, 1.48256, 15.42875]]},
 "stress": {"__ndarray__": [[6], "float64", [0.010793173346497507, 0.010793173346497507, 0.002018953439967709, -0.0, -0.0, -0.0]]},
 "unique_id": "944702b746a8d1fcc73ab894678d9754",
 "user": "hecc"},
"ids": [1],
"nextid": 2}