{"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": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.77145462216859,
 "energy": -144.26535956,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.002339, -0.002339, -0.00064, -0.000548, 0.0, 0.000417, -0.002339, 0.002339, -0.00064, -0.0, -0.000548, 0.000417, -0.0, 0.0, 0.0007, -0.0, 0.000548, 0.000417, 0.002339, -0.002339, -0.00064, 0.000548, 0.0, 0.000417, 0.002339, 0.002339, -0.00064, -0.0, 0.000461, -0.000865, -0.0, -0.000461, -0.000865, -0.0, 0.0, 0.006705, 0.000782, 0.000782, 0.000413, 0.000782, -0.000782, 0.000413, 0.000461, 0.0, -0.000865, -0.000782, 0.000782, 0.000413, -0.000782, -0.000782, 0.000413, -0.000461, 0.0, -0.000865, 0.003017, 0.003017, -0.002491, 0.000778, 0.0, 0.000114, 0.003017, -0.003017, -0.002491, -0.0, 0.000778, 0.000114, -0.0, 0.0, 0.000481, -0.0, -0.000778, 0.000114, -0.003017, 0.003017, -0.002491, -0.000778, 0.0, 0.000114, -0.003017, -0.003017, -0.002491, -0.0, 0.00208, 0.000487, -0.0, -0.00208, 0.000487, -0.0, 0.0, -0.005195, 0.001007, 0.001007, 0.000112, 0.001007, -0.001007, 0.000112, 0.00208, 0.0, 0.000487, -0.001007, 0.001007, 0.000112, -0.001007, -0.001007, 0.000112, -0.00208, 0.0, 0.000487, -0.002433, -0.002433, -0.09646, -0.002454, 0.0, -0.103544, -0.002433, 0.002433, -0.09646, -0.0, -0.002454, -0.103544, -0.0, 0.0, -0.100667, -0.0, 0.002454, -0.103544, 0.002433, -0.002433, -0.09646, 0.002454, 0.0, -0.103544, 0.002433, 0.002433, -0.09646, -0.0, 0.006389, 0.10096, -0.0, -0.006389, 0.10096, -0.0, 0.0, 0.106279, 0.012497, 0.012497, 0.100519, 0.012497, -0.012497, 0.100519, 0.006389, 0.0, 0.10096, -0.012497, 0.012497, 0.100519, -0.012497, -0.012497, 0.100519, -0.006389, 0.0, 0.10096, -0.0, 0.0, -0.004392]]},
 "free_energy": -144.27184708,
 "key_value_pairs": {"str_E": -144.26536, "slab_E": -138.95552, "atom_E": -1.8878972, "ads_E": -3.4219427999999796, "distance": 1.22788, "Dipole_val": 1.12206, "plane_index": 100, "ads_site": "2f"},
 "magmom": 2.12e-05,
 "mtime": 25.149417896852277,
 "numbers": {"__ndarray__": [[55], "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, 15]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.5184, 1.5184, 11.89489, 1.49116, 4.40006, 11.80392, 1.5184, 7.28171, 11.89489, 4.40006, 1.49116, 11.80392, 4.40006, 4.40006, 11.82422, 4.40006, 7.30895, 11.80392, 7.28171, 1.5184, 11.89489, 7.30895, 4.40006, 11.80392, 7.28171, 7.28171, 11.89489, 0.0, 2.926, 9.79062, 0.0, 5.87411, 9.79062, 0.0, 0.0, 9.7969, 2.92602, 2.92602, 9.78299, 2.92602, 5.87409, 9.78299, 2.926, 0.0, 9.79062, 5.87409, 2.92602, 9.78299, 5.87409, 5.87409, 9.78299, 5.87411, 0.0, 9.79062, 1.46339, 1.46339, 7.70791, 1.46318, 4.40006, 7.69683, 1.46339, 7.33672, 7.70791, 4.40006, 1.46318, 7.69683, 4.40006, 4.40006, 7.70195, 4.40006, 7.33693, 7.69683, 7.33672, 1.46339, 7.70791, 7.33693, 4.40006, 7.69683, 7.33672, 7.33672, 7.70791, 0.0, 2.9285, 5.60907, 0.0, 5.87161, 5.60907, 0.0, 0.0, 5.61746, 2.93146, 2.93146, 5.6115, 2.93146, 5.86865, 5.6115, 2.9285, 0.0, 5.60907, 5.86865, 2.93146, 5.6115, 5.86865, 5.86865, 5.6115, 5.87161, 0.0, 5.60907, 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, 0.0, 0.0, 13.12277]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005247317861748692, 0.005247317861748692, 0.0008831672998033552, -0.0, 0.0, -0.0]]},
 "unique_id": "d9754d2f07523650075956f0e1044099",
 "user": "hecc"},
"ids": [1],
"nextid": 2}