{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.713081, 0.0, 0.0, 0.0, 7.713081, 0.0, 0.0, 0.0, 29.087848]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.771454882328598,
 "energy": -194.23177138,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.001612, 0.00681, -0.0, -0.001612, 0.00681, -0.0, 0.0, 0.004832, 0.000552, -0.003115, 0.003293, 0.000552, 0.003115, 0.003293, 0.001956, -0.0, -0.000996, -0.000552, -0.003115, 0.003293, -0.000552, 0.003115, 0.003293, -0.001956, -0.0, -0.000996, -0.002585, 0.002454, 0.00402, 0.000276, 0.0, 0.000311, -0.002585, -0.002454, 0.00402, -0.0, 0.000285, -0.001899, -0.0, -0.0, 0.003177, -0.0, -0.000285, -0.001899, 0.002585, 0.002454, 0.00402, -0.000276, -0.0, 0.000311, 0.002585, -0.002454, 0.00402, -0.0, -0.001535, -0.002154, -0.0, 0.001535, -0.002154, -0.0, -0.0, -0.002497, 0.001139, -0.001002, -0.002557, 0.001139, 0.001002, -0.002557, -0.004439, -0.0, -0.001572, -0.001139, -0.001002, -0.002557, -0.001139, 0.001002, -0.002557, 0.004439, -0.0, -0.001572, 0.001845, 0.000527, 0.000772, -0.00033, -0.0, 0.0035, 0.001845, -0.000527, 0.000772, -0.0, -0.000116, -0.003837, -0.0, 0.0, -0.000246, -0.0, 0.000116, -0.003837, -0.001845, 0.000527, 0.000772, 0.00033, 0.0, 0.0035, -0.001845, -0.000527, 0.000772, -0.0, 0.01449, -0.196438, -0.0, -0.01449, -0.196438, -0.0, -0.0, -0.158892, 0.010322, -0.008364, -0.185439, 0.010322, 0.008364, -0.185439, -0.013309, -0.0, -0.194445, -0.010322, -0.008364, -0.185439, -0.010322, 0.008364, -0.185439, 0.013309, -0.0, -0.194445, 0.014397, -0.007628, 0.180772, 0.002842, 0.0, 0.18903, 0.014397, 0.007628, 0.180772, -0.0, -0.022176, 0.175059, -0.0, -0.0, 0.188475, -0.0, 0.022176, 0.175059, -0.014397, -0.007628, 0.180772, -0.002842, 0.0, 0.18903, -0.014397, 0.007628, 0.180772, -0.0, 0.0, 0.014967]]},
 "free_energy": -194.23947843,
 "key_value_pairs": {"str_E": -194.23177, "slab_E": -190.59214, "atom_E": -0.24284194, "ads_E": -3.396788060000011, "distance": 1.85476, "Dipole_val": 1.07064, "plane_index": 100, "ads_site": "2b"},
 "magmom": -4.32e-05,
 "mtime": 25.149389325505556,
 "numbers": {"__ndarray__": [[55], "int32", [29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 17]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.28552, 1.22862, 10.43718, 1.28552, 3.91344, 10.43718, 1.28552, 6.42756, 10.3124, 3.88406, 1.27561, 10.31701, 3.88406, 3.86645, 10.31701, 3.85265, 6.42756, 10.32274, 6.40005, 1.27561, 10.31701, 6.40005, 3.86645, 10.31701, 6.43146, 6.42756, 10.32274, 2.55775, 0.01975, 8.57629, 2.55689, 2.57102, 8.57318, 2.55775, 5.12231, 8.57629, 5.14206, 7.70661, 8.55574, 5.14206, 2.57102, 8.56005, 5.14206, 5.14853, 8.55574, 0.01328, 0.01975, 8.57629, 0.01414, 2.57102, 8.57318, 0.01328, 5.12231, 8.57629, 1.28552, 1.28711, 6.73488, 1.28552, 3.85494, 6.73488, 1.28552, 6.42756, 6.73635, 3.85574, 1.2869, 6.736, 3.85574, 3.85516, 6.736, 3.84585, 6.42756, 6.75074, 6.42836, 1.2869, 6.736, 6.42836, 3.85516, 6.736, 6.43826, 6.42756, 6.75074, 2.57369, 0.00013, 4.91574, 2.5706, 2.57102, 4.91542, 2.57369, 5.14192, 4.91574, 5.14206, 7.70814, 4.9177, 5.14206, 2.57102, 4.91153, 5.14206, 5.147, 4.9177, 7.71042, 0.00013, 4.91574, 0.00043, 2.57102, 4.91542, 7.71042, 5.14192, 4.91574, 1.28552, 1.28552, 3.09058, 1.28552, 3.85654, 3.09058, 1.28552, 6.42756, 3.09058, 3.85654, 1.28552, 3.09058, 3.85654, 3.85654, 3.09058, 3.85654, 6.42756, 3.09058, 6.42756, 1.28552, 3.09058, 6.42756, 3.85654, 3.09058, 6.42756, 6.42756, 3.09058, 2.57102, 0.0, 1.27259, 2.57102, 2.57102, 1.27259, 2.57102, 5.14206, 1.27259, 5.14206, 0.0, 1.27259, 5.14206, 2.57102, 1.27259, 5.14206, 5.14206, 1.27259, 0.0, 0.0, 1.27259, 0.0, 2.57102, 1.27259, 0.0, 5.14206, 1.27259, 1.28552, 2.57102, 12.29194]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00840499095116992, 0.008481212260615207, 0.002418516129679378, -0.0, -0.0, -0.0]]},
 "unique_id": "8328bd1c517f70d6cafa1abdb5971b3f",
 "user": "hecc"},
"ids": [1],
"nextid": 2}