{"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": 23.77145479758807,
 "energy": -121.1323683,
 "forces": {"__ndarray__": [[46, 3], "float64", [-0.002599, -0.001615, 0.00168, -0.002181, -0.002516, 0.004021, -0.0, 0.003482, 0.006156, -0.0, -0.002677, 0.004464, 0.002181, -0.002516, 0.004021, -0.005081, -0.003853, 0.000746, 0.002599, -0.001615, 0.00168, -0.0, -0.002279, 0.00032, 0.005081, -0.003853, 0.000746, 0.002496, -0.001233, 0.000115, -0.0, 0.00107, -0.006705, -0.003777, 0.003248, -0.001658, -0.002496, -0.001233, 0.000115, 0.004551, -0.00316, -0.003825, -0.0, -0.003508, 0.0011, -0.0, -0.004853, -0.001458, -0.004551, -0.00316, -0.003825, 0.003777, 0.003248, -0.001658, 0.0, -0.001644, 0.001769, -0.002865, -0.001213, 0.001916, 0.003826, 0.001909, -0.001001, -0.001115, -0.004051, -0.003966, -0.0, -0.005363, 0.000895, -0.003826, 0.001909, -0.001001, 0.001115, -0.004051, -0.003966, 0.002865, -0.001213, 0.001916, -0.0, -0.003768, 0.003859, 0.016241, 0.016069, -0.011375, 0.009147, 0.000263, 0.00733, -0.0, -0.013947, -0.015799, 0.0, 0.018215, 0.004343, -0.009147, 0.000263, 0.00733, 0.018345, -0.004696, -0.01922, -0.016241, 0.016069, -0.011375, -0.0, 0.027025, -0.019813, -0.018345, -0.004696, -0.01922, 0.00994, 0.004716, -0.007847, -0.0, -0.010966, -0.007855, 0.006576, -0.004221, 0.029072, -0.00994, 0.004716, -0.007847, 0.005811, 0.001791, 0.004555, -0.0, -0.005018, 0.005132, 0.0, 0.008908, 0.030538, -0.005811, 0.001791, 0.004555, -0.006576, -0.004221, 0.029072, -0.0, -0.007554, -0.008032]]},
 "free_energy": -121.13817858,
 "key_value_pairs": {"str_E": -121.13237, "slab_E": -116.31755, "atom_E": -1.25, "ads_E": -3.5648199999999974, "distance": 1.0059, "Dipole_val": 0.680523, "plane_index": 111, "ads_site": "1b"},
 "magmom": -0.0040001,
 "mtime": 25.149393397783207,
 "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, 6]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[46, 3], "float64", [4.48689, 2.62197, 11.55619, 5.87704, 5.10798, 11.46209, 7.33342, 7.55629, 11.55401, 7.33343, 2.58248, 11.46044, 8.78981, 5.10798, 11.46209, 5.87957, 0.02486, 11.4738, 10.17996, 2.62197, 11.55619, 11.73348, 5.12407, 11.47637, 8.78728, 0.02486, 11.4738, 1.47985, 0.87919, 9.11293, 2.93337, 3.39369, 9.11505, 4.39721, 5.95165, 9.09164, 4.38688, 0.87919, 9.11293, 5.86077, 3.40971, 9.0929, 7.33342, 5.95875, 9.09246, 7.33343, 0.86841, 9.09106, 8.80607, 3.40971, 9.0929, 10.26964, 5.95165, 9.09164, 2.93337, 1.70718, 6.70026, 4.39385, 4.24538, 6.70877, 5.86447, 6.79443, 6.7094, 5.86241, 1.70414, 6.70955, 7.33343, 4.24976, 6.69859, 8.80238, 6.79443, 6.7094, 8.80444, 1.70414, 6.70955, 10.273, 4.24538, 6.70877, 11.73348, 6.78869, 6.70262, 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, 1.72794, 12.56209]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0038400011085719123, 0.003992968014229058, 0.0002698703715849403, 0.00013619597063589857, -0.0, -0.0]]},
 "unique_id": "c1bb59b6fa391fb2e0ea9d9c01662712",
 "user": "hecc"},
"ids": [1],
"nextid": 2}