{"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": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}],
 "ctime": 23.771454628711048,
 "energy": -141.01818959,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, -0.0, -0.002127, -0.0, 0.004638, -0.002396, -0.0, -0.0, -0.000269, -0.0, -0.004638, -0.002396, 0.000214, -0.001521, -0.003293, 0.000603, -0.0, -0.001078, 0.000214, 0.001521, -0.003293, -0.000214, -0.001521, -0.003293, -0.000603, -0.0, -0.001078, -0.000214, 0.001521, -0.003293, 6.4e-05, 0.000413, -0.001355, 6.4e-05, -0.000413, -0.001355, 0.000437, -0.0, 0.000448, -6.4e-05, 0.000413, -0.001355, -6.4e-05, -0.000413, -0.001355, -0.000437, -0.0, 0.000448, -0.0, 0.000834, -0.002607, -0.0, -0.000834, -0.002607, -0.0, -0.0, -0.003289, -0.0, -0.000613, 0.000246, -0.0, -0.0, -0.000821, -0.0, 0.000613, 0.000246, -0.002203, -0.00021, -0.001302, 0.000913, -0.0, -0.001692, -0.002203, 0.00021, -0.001302, 0.002203, -0.00021, -0.001302, -0.000913, -0.0, -0.001692, 0.002203, 0.00021, -0.001302, 0.000457, -0.001098, -0.000523, 0.000457, 0.001098, -0.000523, 0.00062, -0.0, -0.00092, -0.000457, -0.001098, -0.000523, -0.000457, 0.001098, -0.000523, -0.00062, -0.0, -0.00092, -0.0, -0.002116, -0.000237, -0.0, 0.002116, -0.000237, -0.0, -0.0, 0.001132, -0.0, -0.004249, -0.103757, -0.0, -0.0, -0.102812, -0.0, 0.004249, -0.103757, -0.010731, -0.011101, -0.119903, -0.015563, -0.0, -0.13113, -0.010731, 0.011101, -0.119903, 0.010731, -0.011101, -0.119903, 0.015563, -0.0, -0.13113, 0.010731, 0.011101, -0.119903, -0.004343, -0.00424, 0.122191, -0.004343, 0.00424, 0.122191, 0.003291, -0.0, 0.114737, 0.004343, -0.00424, 0.122191, 0.004343, 0.00424, 0.122191, -0.003291, -0.0, 0.114737, -0.0, 0.006254, 0.127675, -0.0, -0.006254, 0.127675, -0.0, -0.0, 0.126356]]},
 "free_energy": -141.02188851,
 "key_value_pairs": {"str_E": -141.01819, "slab_E": -138.95552, "atom_E": -0.29886761, "ads_E": -1.763802389999997, "distance": 1.98718, "Dipole_val": -3.45365, "plane_index": 100, "ads_site": "1b"},
 "magmom": -6.3e-06,
 "mtime": 25.149435811478764,
 "numbers": {"__ndarray__": [[55], "int32", [3, 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]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.46669, 0.0, 13.8199, 1.46669, 1.49272, 11.72835, 1.46669, 4.40006, 11.78713, 1.46669, 7.30739, 11.72835, 4.3742, 1.46051, 11.83273, 4.39592, 4.40006, 11.80432, 4.3742, 7.3396, 11.83273, 7.35928, 1.46051, 11.83273, 7.33756, 4.40006, 11.80432, 7.35928, 7.3396, 11.83273, 8.78448, 2.94315, 9.74242, 8.78448, 5.85696, 9.74242, 8.78177, 0.0, 9.73545, 2.949, 2.94315, 9.74242, 2.949, 5.85696, 9.74242, 2.9517, 0.0, 9.73545, 5.86674, 2.92513, 9.78812, 5.86674, 5.87498, 9.78812, 5.86674, 0.0, 9.79659, 1.46669, 1.4696, 7.6855, 1.46669, 4.40006, 7.67104, 1.46669, 7.33051, 7.6855, 4.41166, 1.46888, 7.68182, 4.41313, 4.40006, 7.68226, 4.41166, 7.33123, 7.68182, 7.32182, 1.46888, 7.68182, 7.32035, 4.40006, 7.68226, 7.32182, 7.33123, 7.68182, 8.79785, 2.93239, 5.60482, 8.79785, 5.86772, 5.60482, 0.00025, 0.0, 5.60531, 2.93563, 2.93239, 5.60482, 2.93563, 5.86772, 5.60482, 2.93311, 0.0, 5.60531, 5.86674, 2.93481, 5.59614, 5.86674, 5.8653, 5.59614, 5.86674, 0.0, 5.5999, 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]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005124959316844877, 0.004799995144205765, 0.00114360050958996, -0.0, -0.0, -0.0]]},
 "unique_id": "d8a7012cf30617cc21be273fd995b0c1",
 "user": "hecc"},
"ids": [1],
"nextid": 2}