{"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": 23.771454540050367,
 "energy": -221.43929364,
 "forces": {"__ndarray__": [[73, 3], "float64", [-0.0, -0.000579, 0.0017, -0.0, 0.000579, 0.0017, -0.0, -0.0, 0.0004, 0.000528, 0.000548, 0.001993, 0.000528, -0.000548, 0.001993, 0.001638, -0.0, -0.002001, -0.000528, 0.000548, 0.001993, -0.000528, -0.000548, 0.001993, -0.001638, -0.0, -0.002001, 0.0005, 5.2e-05, -0.00222, -0.002287, -0.0, 0.001404, 0.0005, -5.2e-05, -0.00222, -0.0, -0.00058, 0.004943, -0.0, -0.0, -0.000413, -0.0, 0.00058, 0.004943, -0.0005, 5.2e-05, -0.00222, 0.002287, -0.0, 0.001404, -0.0005, -5.2e-05, -0.00222, -0.0, 0.000279, -0.000983, -0.0, -0.000279, -0.000983, -0.0, -0.0, -0.005762, 0.000674, -0.000823, -0.000816, 0.000674, 0.000823, -0.000816, -0.000707, -0.0, -0.000799, -0.000674, -0.000823, -0.000816, -0.000674, 0.000823, -0.000816, 0.000707, -0.0, -0.000799, -0.000599, -0.000416, -0.000621, 0.000454, -0.0, -6e-06, -0.000599, 0.000416, -0.000621, -0.0, 0.001466, 0.002204, -0.0, -0.0, 0.000103, -0.0, -0.001466, 0.002204, 0.000599, -0.000416, -0.000621, -0.000454, -0.0, -6e-06, 0.000599, 0.000416, -0.000621, -0.0, 0.000334, -0.001108, -0.0, -0.000334, -0.001108, -0.0, -0.0, -0.001609, 0.000787, 0.000432, 0.000286, 0.000787, -0.000432, 0.000286, -0.000531, -0.0, -0.002878, -0.000787, 0.000432, 0.000286, -0.000787, -0.000432, 0.000286, 0.000531, -0.0, -0.002878, 0.000214, -0.00206, 0.001747, 0.001036, -0.0, -0.001852, 0.000214, 0.00206, 0.001747, 0.0, -0.002071, 0.00169, -0.0, -0.0, -0.00147, 0.0, 0.002071, 0.00169, -0.000214, -0.00206, 0.001747, -0.001036, -0.0, -0.001852, -0.000214, 0.00206, 0.001747, -0.0, -0.012512, -0.517562, -0.0, 0.012512, -0.517562, -0.0, -0.0, -0.454282, -0.00974, 0.001062, -0.528808, -0.00974, -0.001062, -0.528808, -0.018342, -0.0, -0.498515, 0.00974, 0.001062, -0.528808, 0.00974, -0.001062, -0.528808, 0.018342, -0.0, -0.498515, -0.023953, -0.001262, 0.501941, 0.009513, -0.0, 0.509606, -0.023953, 0.001262, 0.501941, -0.0, -0.00813, 0.547314, -0.0, -0.0, 0.487484, -0.0, 0.00813, 0.547314, 0.023953, -0.001262, 0.501941, -0.009513, -0.0, 0.509606, 0.023953, 0.001262, 0.501941, -0.0, -0.0, -0.004771]]},
 "free_energy": -221.50431801,
 "key_value_pairs": {"str_E": -221.43929, "slab_E": -218.52697, "atom_E": -0.24284194, "ads_E": -2.669478059999994, "distance": 2.331, "Dipole_val": 2.57451, "plane_index": 110, "ads_site": "0t"},
 "magmom": -1e-07,
 "mtime": 24.872784847699915,
 "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, 17]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.74128, 4.18808, 11.40171, 0.74128, 8.39184, 11.40171, 0.74128, 0.0, 11.50786, 3.69926, 4.19193, 11.39544, 3.69926, 8.388, 11.39544, 3.74099, 0.0, 11.37914, 6.67866, 4.19193, 11.39544, 6.67866, 8.388, 11.39544, 6.63692, 0.0, 11.37914, 2.22773, 2.09734, 10.16934, 2.22146, 6.28996, 10.18609, 2.22773, 10.48259, 10.16934, 5.18895, 2.11542, 10.15703, 5.18895, 6.28996, 10.19301, 5.18895, 10.46451, 10.15703, 8.15019, 2.09734, 10.16934, 8.15645, 6.28996, 10.18609, 8.15019, 10.48259, 10.16934, 0.74128, 4.20434, 8.57706, 0.74128, 8.37559, 8.57706, 0.74128, 0.0, 8.71349, 3.70721, 4.19938, 8.56828, 3.70721, 8.38055, 8.56828, 3.70061, 0.0, 8.57198, 6.6707, 4.19938, 8.56828, 6.6707, 8.38055, 8.56828, 6.6773, 0.0, 8.57198, 2.21472, 2.09147, 7.19023, 2.22528, 6.28996, 7.18646, 2.21472, 10.48846, 7.19023, 5.18895, 2.09729, 7.1743, 5.18895, 6.28996, 7.18472, 5.18895, 10.48264, 7.1743, 8.16319, 2.09147, 7.19023, 8.15264, 6.28996, 7.18646, 8.16319, 10.48846, 7.19023, 0.74128, 4.19049, 5.71002, 0.74128, 8.38944, 5.71002, 0.74128, 0.0, 5.76322, 3.70393, 4.19196, 5.70377, 3.70393, 8.38797, 5.70377, 3.70183, 0.0, 5.7112, 6.67398, 4.19196, 5.70377, 6.67398, 8.38797, 5.70377, 6.67608, 0.0, 5.7112, 2.21803, 2.09016, 4.26352, 2.22173, 6.28996, 4.26473, 2.21803, 10.48977, 4.26352, 5.18895, 2.09854, 4.2585, 5.18895, 6.28996, 4.26368, 5.18895, 10.48139, 4.2585, 8.15989, 2.09016, 4.26352, 8.15618, 6.28996, 4.26473, 8.15989, 10.48977, 4.26352, 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, 13.83886]]},
 "stress": {"__ndarray__": [[6], "float64", [0.012384258852867666, 0.006193961309362279, 0.0019693771329808187, -0.0, -0.0, -0.0]]},
 "unique_id": "7e98a81b4895d822139ed3283a8d7442",
 "user": "hecc"},
"ids": [1],
"nextid": 2}