{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.80011, 0.0, 0.0, 4.400055, 7.621119, 0.0, 0.0, 0.0, 33.531212]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45]}}],
 "ctime": 23.77145478597841,
 "energy": -117.53507687,
 "forces": {"__ndarray__": [[46, 3], "float64", [-0.0, -0.0, -0.001134, -0.00034, -0.000196, -0.001549, 0.000454, -0.000262, -0.000551, -0.0, 0.000393, -0.001549, -0.0, 0.000525, -0.000551, -0.000454, -0.000262, -0.000551, 0.002532, -0.001462, 0.005627, 0.00034, -0.000196, -0.001549, -0.0, 0.002923, 0.005627, -0.002532, -0.001462, 0.005627, -0.002127, -0.001228, 0.001416, -0.0, 0.002456, 0.001416, 0.000336, -0.000194, 0.006037, 0.002127, -0.001228, 0.001416, 0.001563, 0.000902, -0.000759, -0.0, -0.001805, -0.000759, -0.0, 0.000388, 0.006037, -0.001563, 0.000902, -0.000759, -0.000336, -0.000194, 0.006037, -0.0, -0.0, 0.006538, 0.000714, -0.000802, 0.004881, 0.001052, -0.000217, 0.004881, -0.000338, 0.00102, 0.004881, -0.0, -0.0, 0.004663, -0.001052, -0.000217, 0.004881, 0.000338, 0.00102, 0.004881, -0.000714, -0.000802, 0.004881, -0.0, -0.0, 0.009467, 0.018274, 0.010551, -0.016274, 0.010785, -0.006227, -0.012017, 0.0, -0.021102, -0.016274, -0.0, 0.012453, -0.012017, -0.010785, -0.006227, -0.012017, 0.006168, -0.003561, -0.003264, -0.018274, 0.010551, -0.016274, -0.0, 0.007122, -0.003264, -0.006168, -0.003561, -0.003264, 0.012966, 0.007486, -0.030621, -0.0, -0.014972, -0.030621, 0.007035, -0.004061, 0.017879, -0.012966, 0.007486, -0.030621, -0.024209, -0.013977, 0.017802, -0.0, 0.027954, 0.017802, 0.0, 0.008123, 0.017879, 0.024209, -0.013977, 0.017802, -0.007035, -0.004061, 0.017879]]},
 "free_energy": -117.55301067,
 "key_value_pairs": {"str_E": -117.53508, "slab_E": -116.31755, "atom_E": -0.0039355698, "ads_E": -1.2135944301999964, "distance": 2.06321, "Dipole_val": -2.24575, "plane_index": 111, "ads_site": "3h"},
 "magmom": -6e-07,
 "mtime": 25.149413917395798,
 "numbers": {"__ndarray__": [[46], "int32", [12, 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]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[46, 3], "float64", [2.93337, 1.69358, 13.57955, 4.43219, 2.55893, 11.47842, 5.86916, 5.07935, 11.50162, 7.33342, 7.584, 11.47842, 7.33343, 2.54316, 11.50162, 8.7977, 5.07935, 11.50162, 5.85786, 0.00513, 11.51634, 10.23465, 2.55893, 11.47842, 2.93337, 5.07049, 11.51634, 0.00889, 0.00513, 11.51634, 1.47051, 0.849, 9.08328, 2.93337, 3.38274, 9.08328, 4.39673, 5.92946, 9.11378, 4.39622, 0.849, 9.08328, 5.86528, 3.38632, 9.08884, 7.33342, 5.92921, 9.08884, 7.33343, 0.84295, 9.11378, 8.80156, 3.38632, 9.08884, 10.27012, 5.92946, 9.11378, 2.93337, 1.69358, 6.6841, 4.40025, 4.23623, 6.70028, 5.86487, 6.77302, 6.70028, 5.86881, 1.69262, 6.70028, 7.33343, 4.23396, 6.6999, 8.80198, 6.77302, 6.70028, 8.79805, 1.69262, 6.70028, 10.2666, 4.23623, 6.70028, 11.73348, 6.77433, 6.71195, 4.40005, 2.54037, 4.31114, 5.86674, 5.08075, 4.31114, 2.93337, 0.0, 4.31114, 7.33343, 2.54037, 4.31114, 8.80011, 5.08075, 4.31114, 5.86674, 0.0, 4.31114, 1.46668, 2.54037, 4.31114, 2.93337, 5.08075, 4.31114, 0.0, 0.0, 4.31114, 1.46668, 0.84679, 1.91607, 2.93337, 3.38716, 1.91607, 4.40006, 5.92754, 1.91607, 4.40005, 0.84679, 1.91607, 5.86673, 3.38716, 1.91607, 7.33342, 5.92754, 1.91607, 7.33343, 0.84679, 1.91607, 8.80011, 3.38716, 1.91607, 10.2668, 5.92754, 1.91607]]},
 "stress": {"__ndarray__": [[6], "float64", [0.004871036001076568, 0.004871036001076568, -5.3564631318330117e-05, -0.0, -0.0, -0.0]]},
 "unique_id": "c1fed584b1d6ce681051bbe36bee9a4e",
 "user": "hecc"},
"ids": [1],
"nextid": 2}