{"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": [55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72]}}],
 "ctime": 23.771454541388746,
 "energy": -218.55512798,
 "forces": {"__ndarray__": [[73, 3], "float64", [-0.0, -0.0, -0.0045, -0.0, 0.000487, -0.002142, -0.0, -0.000487, -0.002142, -0.0, -0.0, 0.008682, -0.00216, 0.001411, -0.001254, -0.00216, -0.001411, -0.001254, -0.00012, -0.0, 0.00077, 0.00216, 0.001411, -0.001254, 0.00216, -0.001411, -0.001254, 0.00012, -0.0, 0.00077, -0.00371, -0.0012, 0.003405, 0.000994, -0.0, 0.006156, -0.00371, 0.0012, 0.003405, 0.0, -0.00118, 0.009192, -0.0, -0.0, -0.003199, 0.0, 0.00118, 0.009192, 0.00371, -0.0012, 0.003405, -0.000994, -0.0, 0.006156, 0.00371, 0.0012, 0.003405, -0.0, -0.0007, -0.005617, -0.0, 0.0007, -0.005617, -0.0, -0.0, -0.00062, -0.002605, 0.000266, -0.009187, -0.002605, -0.000266, -0.009187, 0.002111, -0.0, -0.003076, 0.002605, 0.000266, -0.009187, 0.002605, -0.000266, -0.009187, -0.002111, -0.0, -0.003076, -0.001542, -0.00211, 0.002821, 0.003734, -0.0, -0.000241, -0.001542, 0.00211, 0.002821, -0.0, 0.001752, 0.003772, -0.0, -0.0, 0.001133, -0.0, -0.001752, 0.003772, 0.001542, -0.00211, 0.002821, -0.003734, -0.0, -0.000241, 0.001542, 0.00211, 0.002821, 0.0, 0.001136, 0.000502, 0.0, -0.001136, 0.000502, -0.0, -0.0, 0.00873, -0.001107, -0.000993, 0.004539, -0.001107, 0.000993, 0.004539, 0.003435, -0.0, -0.001064, 0.001107, -0.000993, 0.004539, 0.001107, 0.000993, 0.004539, -0.003435, -0.0, -0.001064, -0.002372, -0.002274, 0.001449, 0.002907, -0.0, -0.001348, -0.002372, 0.002274, 0.001449, 0.0, 0.001356, 0.000141, -0.0, -0.0, 0.004387, 0.0, -0.001356, 0.000141, 0.002372, -0.002274, 0.001449, -0.002907, -0.0, -0.001348, 0.002372, 0.002274, 0.001449, -0.0, 0.004182, -0.517668, -0.0, -0.004182, -0.517668, -0.0, -0.0, -0.519879, 0.000432, 0.003404, -0.519204, 0.000432, -0.003404, -0.519204, -1e-06, -0.0, -0.518984, -0.000432, 0.003404, -0.519204, -0.000432, -0.003404, -0.519204, 1e-06, -0.0, -0.518984, -0.000187, -0.00047, 0.513284, 0.00047, -0.0, 0.517233, -0.000187, 0.00047, 0.513284, 0.0, -7e-05, 0.51754, -0.0, -0.0, 0.511527, 0.0, 7e-05, 0.51754, 0.000187, -0.00047, 0.513284, -0.00047, -0.0, 0.517233, 0.000187, 0.00047, 0.513284]]},
 "free_energy": -218.62841673,
 "key_value_pairs": {"str_E": -218.55513, "slab_E": -218.52697, "atom_E": -0.025496589, "ads_E": -0.00266341099998553, "distance": 3.56606, "Dipole_val": -0.162937, "plane_index": 110, "ads_site": "0t"},
 "magmom": -1.8e-05,
 "mtime": 24.873449306921877,
 "numbers": {"__ndarray__": [[73], "int32", [18, 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]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.74128, 0.0, 14.99298, 0.74128, 4.18997, 11.4244, 0.74128, 8.38996, 11.4244, 0.74128, 0.0, 11.39538, 3.70667, 4.19173, 11.42692, 3.70667, 8.3882, 11.42692, 3.71092, 0.0, 11.41049, 6.67125, 4.19173, 11.42692, 6.67125, 8.3882, 11.42692, 6.66699, 0.0, 11.41049, 2.22684, 2.09985, 10.19084, 2.22343, 6.28996, 10.2035, 2.22684, 10.48008, 10.19084, 5.18895, 2.10073, 10.18866, 5.18895, 6.28996, 10.20827, 5.18895, 10.4792, 10.18866, 8.15107, 2.09985, 10.19084, 8.15448, 6.28996, 10.2035, 8.15107, 10.48008, 10.19084, 0.74128, 4.19529, 8.59221, 0.74128, 8.38464, 8.59221, 0.74128, 0.0, 8.57459, 3.70735, 4.19642, 8.5933, 3.70735, 8.38351, 8.5933, 3.70487, 0.0, 8.5819, 6.67057, 4.19642, 8.5933, 6.67057, 8.38351, 8.5933, 6.67305, 0.0, 8.5819, 2.2247, 2.10161, 7.1959, 2.22347, 6.28996, 7.204, 2.2247, 10.47832, 7.1959, 5.18895, 2.09912, 7.19697, 5.18895, 6.28996, 7.20378, 5.18895, 10.48081, 7.19697, 8.15322, 2.10161, 7.1959, 8.15445, 6.28996, 7.204, 8.15322, 10.47832, 7.1959, 0.74128, 4.19518, 5.71445, 0.74128, 8.38475, 5.71445, 0.74128, 0.0, 5.70741, 3.70714, 4.19639, 5.71392, 3.70714, 8.38353, 5.71392, 3.70509, 0.0, 5.71151, 6.67078, 4.19639, 5.71392, 6.67078, 8.38353, 5.71392, 6.67283, 0.0, 5.71151, 2.22476, 2.09884, 4.26862, 2.22301, 6.28996, 4.27136, 2.22476, 10.48108, 4.26862, 5.18895, 2.09707, 4.27028, 5.18895, 6.28996, 4.26907, 5.18895, 10.48286, 4.27028, 8.15316, 2.09884, 4.26862, 8.1549, 6.28996, 4.27136, 8.15316, 10.48108, 4.26862, 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]]},
 "stress": {"__ndarray__": [[6], "float64", [0.01324189838034616, 0.00692036686595995, 0.001824093525057634, -0.0, -0.0, -0.0]]},
 "unique_id": "ab2903de23f5633606e32a64aded70bd",
 "user": "hecc"},
"ids": [1],
"nextid": 2}