{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.713081, 0.0, 0.0, 3.85654, 6.679724, 0.0, 0.0, 0.0, 33.587754]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}],
 "ctime": 23.771455007163727,
 "energy": -195.46560777,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.002343, -0.006454, 0.00052, -0.000494, -0.00426, 4.2e-05, -0.001093, 0.001074, 0.0, -0.00089, -0.001752, 0.0, -2e-05, 0.000233, -4.2e-05, -0.001093, 0.001074, -0.000386, -0.000161, 0.002314, -0.00052, -0.000494, -0.00426, 0.0, -0.000135, -0.001979, 0.000386, -0.000161, 0.002314, 0.0, -0.001717, 0.001072, 0.000171, 0.00073, -0.000793, -0.0003, -0.000555, 5.8e-05, 0.000395, 0.000251, -0.001249, -0.0, 0.000221, -0.000764, 0.0003, -0.000555, 5.8e-05, -0.000395, 0.000251, -0.001249, -0.000171, 0.00073, -0.000793, -0.0, 0.00163, 0.001905, 0.00159, 0.000531, 0.002503, 0.0, -0.000822, 0.003758, 0.000275, 0.001006, 0.001346, -0.00159, 0.000531, 0.002503, -0.000685, 0.000334, 0.001385, -0.0, 0.000723, -0.000413, 0.0, -0.001624, -0.00097, 0.000685, 0.000334, 0.001385, -0.000275, 0.001006, 0.001346, -0.000635, 0.000224, 0.000926, 0.000111, -0.000497, 0.001001, -0.0, 0.000317, 0.000775, -0.0, 3.5e-05, 0.001236, -0.000111, -0.000497, 0.001001, -0.000243, 0.000237, 0.002726, 0.000635, 0.000224, 0.000926, 0.0, -0.000135, 0.000996, 0.000243, 0.000237, 0.002726, 0.0, -0.001747, -0.063472, 0.002749, 0.003322, -0.058322, 0.003284, -0.005368, -0.065791, 0.001553, 0.000932, -0.070201, -0.0, 0.004892, -0.053937, -0.003284, -0.005368, -0.065791, -0.001553, 0.000932, -0.070201, -0.002749, 0.003322, -0.058322, 0.0, -0.001734, -0.082179, 0.002123, 0.002625, 0.065328, 0.0, -0.002952, 0.071765, -0.001485, -7.6e-05, 0.062429, -0.002123, 0.002625, 0.065328, -0.001514, -0.001742, 0.064291, -0.0, 0.001288, 0.06246, 0.0, -8.5e-05, 0.058191, 0.001514, -0.001742, 0.064291, 0.001485, -7.6e-05, 0.062429]]},
 "free_energy": -195.67304944,
 "key_value_pairs": {"str_E": -195.46561, "slab_E": -192.84492, "atom_E": -0.299, "ads_E": -2.3216899999999963, "distance": 2.02481, "Dipole_val": -3.36969, "plane_index": 111, "ads_site": "1b"},
 "magmom": 1.4e-06,
 "mtime": 24.872788922984615,
 "numbers": {"__ndarray__": [[55], "int32", [3, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [2.57103, 2.22906, 14.01583, 3.87301, 2.22552, 11.90284, 5.13921, 4.45472, 11.97192, 2.57102, 0.02732, 11.99102, 6.42757, 2.22349, 11.96182, 7.71593, 4.45472, 11.97192, 8.99778, 6.6797, 11.97591, 8.98212, 2.22552, 11.90284, 2.57103, 4.42709, 11.99044, 3.85736, 6.6797, 11.97591, 2.57102, 1.48197, 9.83047, 3.85703, 3.71796, 9.85566, 5.14481, 5.94152, 9.88512, 5.14845, 1.47717, 9.8547, 6.42757, 3.71074, 9.8816, 7.71033, 5.94152, 9.88512, 7.70669, 1.47717, 9.8547, 8.99811, 3.71796, 9.85566, 10.28411, 5.93245, 9.89109, 1.28192, 0.73781, 7.76187, 2.57102, 2.97298, 7.75862, 3.85624, 5.19995, 7.77533, 3.86012, 0.73781, 7.76187, 5.14495, 2.96898, 7.76927, 6.42756, 5.19526, 7.78148, 6.42757, 0.73727, 7.76678, 7.71018, 2.96898, 7.76927, 8.9989, 5.19995, 7.77533, 3.85717, 2.22665, 5.66167, 5.14236, 4.45413, 5.66658, 6.42756, 6.67794, 5.6632, 6.42757, 2.22615, 5.66225, 7.71277, 4.45413, 5.66658, 8.99947, 6.6785, 5.65933, 8.99796, 2.22665, 5.66167, 10.28411, 4.45535, 5.66289, 11.56875, 6.6785, 5.65933, 2.57102, 1.48438, 3.5687, 3.85654, 3.71096, 3.5687, 5.14205, 5.93753, 3.5687, 5.14206, 1.48438, 3.5687, 6.42757, 3.71096, 3.5687, 7.71308, 5.93753, 3.5687, 7.71308, 1.48438, 3.5687, 8.9986, 3.71096, 3.5687, 10.28411, 5.93753, 3.5687, 1.28551, 0.74219, 1.46946, 2.57102, 2.96876, 1.46946, 3.85654, 5.19534, 1.46946, 3.85654, 0.74219, 1.46946, 5.14205, 2.96876, 1.46946, 6.42756, 5.19534, 1.46946, 6.42757, 0.74219, 1.46946, 7.71308, 2.96876, 1.46946, 8.9986, 5.19534, 1.46946]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00787860703752943, 0.00815935011801166, 0.0013072716033979965, 3.0333734351792634e-06, -0.0, -0.0]]},
 "unique_id": "20d0708820e3b1d778004e6483aedbdc",
 "user": "hecc"},
"ids": [1],
"nextid": 2}