{"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": 23.771454501226817,
 "energy": -224.11389845,
 "forces": {"__ndarray__": [[73, 3], "float64", [0.00052, -0.004137, -3.9e-05, 0.00052, 0.004137, -3.9e-05, -0.005375, 0.0, -0.007401, -0.00052, -0.004137, -3.9e-05, -0.00052, 0.004137, -3.9e-05, 0.005375, 0.0, -0.007401, 0.0, -0.001586, 0.002452, 0.0, 0.001586, 0.002452, 0.0, 0.0, 0.007129, 0.0, -0.004459, 0.001666, 0.0, 0.0, 0.007351, -0.0, 0.004459, 0.001666, 0.000262, -0.000597, -0.000295, -0.000448, 0.0, 0.006222, 0.000262, 0.000597, -0.000295, -0.000262, -0.000597, -0.000295, 0.000448, 0.0, 0.006222, -0.000262, 0.000597, -0.000295, 0.000748, -6.1e-05, 0.001211, 0.000748, 6.1e-05, 0.001211, 0.000738, 0.0, -0.008747, -0.000748, -6.1e-05, 0.001211, -0.000748, 6.1e-05, 0.001211, -0.000738, 0.0, -0.008747, 0.0, 0.001453, 0.00441, 0.0, -0.001453, 0.00441, 0.0, 0.0, -0.000385, 0.0, -0.00039, 0.002081, 0.0, 0.0, -0.002484, 0.0, 0.00039, 0.002081, -0.003166, -0.002466, -0.000388, 0.001445, 0.0, 0.003212, -0.003166, 0.002466, -0.000388, 0.003166, -0.002466, -0.000388, -0.001445, 0.0, 0.003212, 0.003166, 0.002466, -0.000388, -0.000989, -0.000228, -0.001218, -0.000989, 0.000228, -0.001218, 0.003076, 0.0, 0.003721, 0.000989, -0.000228, -0.001218, 0.000989, 0.000228, -0.001218, -0.003076, 0.0, 0.003721, 0.0, 0.00255, 0.001144, 0.0, -0.00255, 0.001144, 0.0, 0.0, -0.00102, 0.0, 0.001041, 0.00073, 0.0, 0.0, -0.000312, 0.0, -0.001041, 0.00073, 0.000397, -0.001151, 0.000709, 0.004524, 0.0, -0.001335, 0.000397, 0.001151, 0.000709, -0.000397, -0.001151, 0.000709, -0.004524, 0.0, -0.001335, -0.000397, 0.001151, 0.000709, 0.002879, -0.005907, -0.518577, 0.002879, 0.005907, -0.518577, 0.015381, 0.0, -0.483782, -0.002879, -0.005907, -0.518577, -0.002879, 0.005907, -0.518577, -0.015381, 0.0, -0.483782, 0.0, -0.01646, -0.533512, 0.0, 0.01646, -0.533512, 0.0, 0.0, -0.518265, 0.0, -0.0008, 0.524281, 0.0, 0.0, 0.502051, 0.0, 0.0008, 0.524281, 0.010076, -0.00022, 0.518014, 0.017376, 0.0, 0.488131, 0.010076, 0.00022, 0.518014, -0.010076, -0.00022, 0.518014, -0.017376, 0.0, 0.488131, -0.010076, 0.00022, 0.518014, 0.0, 0.0, 0.001723]]},
 "free_energy": -224.17439624,
 "key_value_pairs": {"str_E": -224.1139, "slab_E": -218.52697, "atom_E": -1.2476334, "ads_E": -4.3392965999999955, "distance": 0.883194, "Dipole_val": 0.570613, "plane_index": 110, "ads_site": "1b"},
 "magmom": -6.4e-06,
 "mtime": 24.87278500685901,
 "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", [0.75167, 4.18896, 11.39372, 0.75167, 8.39097, 11.39372, 0.52905, 0.0, 11.63038, 3.696, 4.18896, 11.39372, 3.696, 8.39097, 11.39372, 3.91862, 0.0, 11.63038, 6.67151, 4.20236, 11.39777, 6.67151, 8.37757, 11.39777, 6.67151, 0.0, 11.38493, 2.22384, 2.09486, 10.14058, 2.22384, 6.28996, 10.16465, 2.22384, 10.48507, 10.14058, 5.1879, 2.1045, 10.1765, 5.18532, 6.28996, 10.17435, 5.1879, 10.47543, 10.1765, 8.15513, 2.1045, 10.1765, 8.15771, 6.28996, 10.17435, 8.15513, 10.47543, 10.1765, 0.73516, 4.20747, 8.56248, 0.73516, 8.37246, 8.56248, 0.74901, 0.0, 8.693, 3.71251, 4.20747, 8.56248, 3.71251, 8.37246, 8.56248, 3.69867, 0.0, 8.693, 6.67151, 4.19391, 8.56671, 6.67151, 8.38602, 8.56671, 6.67151, 0.0, 8.56838, 2.22384, 2.0803, 7.19178, 2.22384, 6.28996, 7.17503, 2.22384, 10.49963, 7.19178, 5.17978, 2.08713, 7.19857, 5.19454, 6.28996, 7.17545, 5.17978, 10.4928, 7.19857, 8.16325, 2.08713, 7.19857, 8.14849, 6.28996, 7.17545, 8.16325, 10.4928, 7.19857, 0.74231, 4.18566, 5.70236, 0.74231, 8.39427, 5.70236, 0.74252, 0.0, 5.74392, 3.70537, 4.18566, 5.70236, 3.70537, 8.39427, 5.70236, 3.70516, 0.0, 5.74392, 6.67151, 4.18465, 5.70135, 6.67151, 8.39528, 5.70135, 6.67151, 0.0, 5.70982, 2.22384, 2.08594, 4.26694, 2.22384, 6.28996, 4.26105, 2.22384, 10.49399, 4.26694, 5.18777, 2.09063, 4.26832, 5.18731, 6.28996, 4.26017, 5.18777, 10.4893, 4.26832, 8.15526, 2.09063, 4.26832, 8.15572, 6.28996, 4.26017, 8.15526, 10.4893, 4.26832, 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, 2.22384, 0.0, 12.51357]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0116149554040478, 0.006548454061675946, 0.0019120675961869587, -0.0, -0.0, -0.0]]},
 "unique_id": "7eb4c3f0bafa92ab60b1f951d092b7e1",
 "user": "hecc"},
"ids": [1],
"nextid": 2}