{"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": [27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44]}}],
 "ctime": 23.771454791019337,
 "energy": -116.37681545,
 "forces": {"__ndarray__": [[46, 3], "float64", [-0.002902, -0.001676, -0.001609, 0.001825, -0.001053, 0.001341, 0.0, 0.003351, -0.001609, -0.0, 0.002107, 0.001341, -0.001825, -0.001053, 0.001341, 0.001691, -0.000976, -0.000964, 0.002902, -0.001676, -0.001609, -0.0, 0.001953, -0.000964, -0.001691, -0.000976, -0.000964, 0.00319, 0.001842, 0.002898, -0.0, -0.003684, 0.002898, -0.004655, 0.002687, -0.000667, -0.00319, 0.001842, 0.002898, 9.5e-05, 5.5e-05, -0.001899, 0.0, -0.00011, -0.001899, -0.0, -0.005375, -0.000667, -9.5e-05, 5.5e-05, -0.001899, 0.004655, 0.002687, -0.000667, 0.0, 0.0, -0.004613, 0.001569, -0.000683, 0.00196, 0.001376, -0.001017, 0.00196, 0.000193, 0.0017, 0.00196, -0.0, -0.0, -0.008991, -0.001376, -0.001017, 0.00196, -0.000193, 0.0017, 0.00196, -0.001569, -0.000683, 0.00196, -0.0, -0.0, -0.004863, -0.000489, -0.000282, 0.019395, 0.00258, -0.001489, 0.020488, -0.0, 0.000565, 0.019395, -0.0, 0.002979, 0.020488, -0.00258, -0.001489, 0.020488, -0.000161, 9.3e-05, 0.020028, 0.000489, -0.000282, 0.019395, -0.0, -0.000186, 0.020028, 0.000161, 9.3e-05, 0.020028, 0.002077, 0.001199, -0.02101, -0.0, -0.002398, -0.02101, 0.001462, -0.000844, -0.018054, -0.002077, 0.001199, -0.02101, -0.000397, -0.000229, -0.019957, -0.0, 0.000459, -0.019957, 0.0, 0.001688, -0.018054, 0.000397, -0.000229, -0.019957, -0.001462, -0.000844, -0.018054, -0.0, -0.0, 0.006734]]},
 "free_energy": -116.37820155,
 "key_value_pairs": {"str_E": -116.37682, "slab_E": -116.31755, "atom_E": -0.025496589, "ads_E": -0.033773410999997935, "distance": 3.92619, "Dipole_val": -0.0509612, "plane_index": 111, "ads_site": "3h"},
 "magmom": 1e-07,
 "mtime": 25.149411917952985,
 "numbers": {"__ndarray__": [[46], "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, 18]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[46, 3], "float64", [4.40122, 2.54105, 11.51583, 5.8669, 5.08066, 11.51888, 7.33342, 7.61977, 11.51583, 7.33343, 2.54055, 11.51888, 8.79996, 5.08066, 11.51888, 5.86616, 0.00034, 11.51879, 10.26562, 2.54105, 11.51583, 2.93337, 5.08008, 11.51879, 0.00058, 0.00034, 11.51879, 1.46632, 0.84658, 9.11371, 2.93337, 3.38758, 9.11371, 4.4011, 5.92694, 9.11609, 4.40041, 0.84658, 9.11371, 5.86678, 3.38719, 9.11485, 7.33342, 5.92749, 9.11485, 7.33343, 0.84799, 9.11609, 8.80007, 3.38719, 9.11485, 10.26576, 5.92694, 9.11609, 2.93337, 1.69358, 6.71386, 4.40008, 4.23418, 6.71262, 5.86656, 6.77419, 6.71262, 5.86695, 1.69349, 6.71262, 7.33343, 4.23396, 6.7148, 8.80029, 6.77419, 6.71262, 8.7999, 1.69349, 6.71262, 10.26677, 4.23418, 6.71262, 11.73348, 6.77433, 6.71528, 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, 2.93337, 1.69358, 15.44507]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005711242993566469, 0.005711242993566469, -0.00020200020135008575, -0.0, -0.0, -0.0]]},
 "unique_id": "d5dcb970a4fed37a21f9a79384973ca7",
 "user": "hecc"},
"ids": [1],
"nextid": 2}