{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.895353, 0.0, 0.0, 0.0, 12.579929, 0.0, 0.0, 0.0, 32.616296]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}],
 "ctime": 23.771454526307906,
 "energy": -222.60454078,
 "forces": {"__ndarray__": [[73, 3], "float64", [0.0, 0.000311, -0.002584, 0.0, -0.000311, -0.002584, 0.0, 0.0, 0.002053, -9e-05, -0.000947, -0.002003, -9e-05, 0.000947, -0.002003, 0.002186, 0.0, -0.002794, 9e-05, -0.000947, -0.002003, 9e-05, 0.000947, -0.002003, -0.002186, 0.0, -0.002794, 0.001758, 0.000249, 9.6e-05, -0.00226, 0.0, 0.002149, 0.001758, -0.000249, 9.6e-05, 0.0, 0.002233, 0.001013, 0.0, 0.0, 0.003392, 0.0, -0.002233, 0.001013, -0.001758, 0.000249, 9.6e-05, 0.00226, 0.0, 0.002149, -0.001758, -0.000249, 9.6e-05, -0.0, -0.000222, 0.002097, -0.0, 0.000222, 0.002097, 0.0, 0.0, -0.006108, 0.001357, -0.000311, 0.002399, 0.001357, 0.000311, 0.002399, -0.001769, 0.0, -5.4e-05, -0.001357, -0.000311, 0.002399, -0.001357, 0.000311, 0.002399, 0.001769, 0.0, -5.4e-05, -0.001154, -0.001412, -0.000863, 3e-06, 0.0, -0.00151, -0.001154, 0.001412, -0.000863, -0.0, 0.001894, -0.000813, 0.0, 0.0, -0.000409, -0.0, -0.001894, -0.000813, 0.001154, -0.001412, -0.000863, -3e-06, 0.0, -0.00151, 0.001154, 0.001412, -0.000863, 0.0, -0.000715, -0.002842, 0.0, 0.000715, -0.002842, 0.0, 0.0, 0.001853, 0.000954, 0.000717, -0.001145, 0.000954, -0.000717, -0.001145, -0.001823, 0.0, -0.00218, -0.000954, 0.000717, -0.001145, -0.000954, -0.000717, -0.001145, 0.001823, 0.0, -0.00218, 4.9e-05, -0.00031, 0.00036, 0.00062, 0.0, -0.000125, 4.9e-05, 0.00031, 0.00036, -0.0, -0.000809, 0.001326, 0.0, 0.0, -0.001768, -0.0, 0.000809, 0.001326, -4.9e-05, -0.00031, 0.00036, -0.00062, 0.0, -0.000125, -4.9e-05, 0.00031, 0.00036, 0.0, -0.010727, -0.511285, 0.0, 0.010727, -0.511285, 0.0, 0.0, -0.520443, -0.011121, -0.000675, -0.504578, -0.011121, 0.000675, -0.504578, -0.021556, 0.0, -0.509912, 0.011121, -0.000675, -0.504578, 0.011121, 0.000675, -0.504578, 0.021556, 0.0, -0.509912, -0.015506, 0.007154, 0.501704, 0.00619, 0.0, 0.513232, -0.015506, -0.007154, 0.501704, -0.0, -0.008379, 0.533363, 0.0, 0.0, 0.504923, -0.0, 0.008379, 0.533363, 0.015506, 0.007154, 0.501704, -0.00619, 0.0, 0.513232, 0.015506, -0.007154, 0.501704, 0.0, 0.0, -0.005533]]},
 "free_energy": -222.66552744,
 "key_value_pairs": {"str_E": -222.60454, "slab_E": -218.52697, "atom_E": -1.2476334, "ads_E": -2.8299365999999804, "distance": 1.83495, "Dipole_val": 0.774926, "plane_index": 110, "ads_site": "0t"},
 "magmom": 0.0012498,
 "mtime": 24.98390392441476,
 "numbers": {"__ndarray__": [[73], "int32", [79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 6]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.74128, 4.19319, 11.40001, 0.74128, 8.38674, 11.40001, 0.74128, 0.0, 11.62401, 3.69847, 4.17879, 11.39855, 3.69847, 8.40114, 11.39855, 3.74531, 0.0, 11.45645, 6.67944, 4.17879, 11.39855, 6.67944, 8.40114, 11.39855, 6.6326, 0.0, 11.45645, 2.20906, 2.06613, 10.20309, 2.22751, 6.28996, 10.18089, 2.20906, 10.5138, 10.20309, 5.18895, 2.09371, 10.17402, 5.18895, 6.28996, 10.18709, 5.18895, 10.48622, 10.17402, 8.16886, 2.06613, 10.20309, 8.15041, 6.28996, 10.18089, 8.16886, 10.5138, 10.20309, 0.74128, 4.19601, 8.57563, 0.74128, 8.38392, 8.57563, 0.74128, 0.0, 8.68151, 3.70267, 4.18836, 8.5776, 3.70267, 8.39156, 8.5776, 3.70574, 0.0, 8.6004, 6.67525, 4.18836, 8.5776, 6.67525, 8.39156, 8.5776, 6.67218, 0.0, 8.6004, 2.2175, 2.0826, 7.20896, 2.22639, 6.28996, 7.19053, 2.2175, 10.49733, 7.20896, 5.18895, 2.09304, 7.19294, 5.18895, 6.28996, 7.19533, 5.18895, 10.48689, 7.19294, 8.16041, 2.0826, 7.20896, 8.15152, 6.28996, 7.19053, 8.16041, 10.49733, 7.20896, 0.74128, 4.18602, 5.71192, 0.74128, 8.39391, 5.71192, 0.74128, 0.0, 5.7305, 3.70514, 4.18981, 5.71001, 3.70514, 8.39012, 5.71001, 3.7045, 0.0, 5.71729, 6.67278, 4.18981, 5.71001, 6.67278, 8.39012, 5.71001, 6.67341, 0.0, 5.71729, 2.22179, 2.09169, 4.27402, 2.22031, 6.28996, 4.26824, 2.22179, 10.48824, 4.27402, 5.18895, 2.09568, 4.26579, 5.18895, 6.28996, 4.2664, 5.18895, 10.48425, 4.26579, 8.15612, 2.09169, 4.27402, 8.15761, 6.28996, 4.26824, 8.15612, 10.48824, 4.27402, 0.74128, 4.19331, 2.81687, 0.74128, 8.38662, 2.81687, 0.74128, 0.0, 2.81687, 3.7064, 4.19331, 2.81687, 3.7064, 8.38662, 2.81687, 3.7064, 0.0, 2.81687, 6.67151, 4.19331, 2.81687, 6.67151, 8.38662, 2.81687, 6.67151, 0.0, 2.81687, 2.22384, 2.09666, 1.3343, 2.22384, 6.28996, 1.3343, 2.22384, 10.48327, 1.3343, 5.18895, 2.09666, 1.3343, 5.18895, 6.28996, 1.3343, 5.18895, 10.48327, 1.3343, 8.15408, 2.09666, 1.3343, 8.15408, 6.28996, 1.3343, 8.15408, 10.48327, 1.3343, 0.74128, 0.0, 13.45896]]},
 "stress": {"__ndarray__": [[6], "float64", [0.013287480121492484, 0.007129488629222669, 0.001982871275710978, -0.0, -0.0, -0.0]]},
 "unique_id": "1e33d1f6c31fa19f51f98f18f508d6c4",
 "user": "hecc"},
"ids": [1],
"nextid": 2}