{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [10.27630043, 0.0, 0.0, -2.569050074, 4.449725255, 0.0, 0.0, 0.0, 25.488199234]]},
 "ctime": 21.041521698883404,
 "energy": -195.37621999,
 "forces": {"__ndarray__": [[49, 3], "float64", [-0.036492, -0.021068, 0.298352, 0.050169, 0.028965, 0.029588, -0.003883, -0.002242, 0.046761, 0.005111, 0.002951, -0.009422, 0.008423, 0.004863, -0.004048, 0.110333, 0.0637, -0.05178, -0.047526, -0.027439, 0.133664, -0.016421, -0.00948, -0.071785, -0.007406, -0.004276, -0.010394, 0.017574, 0.010146, -0.047571, -0.054999, -0.031753, -0.097769, 0.002043, 0.001179, -0.219791, 0.039471, 0.036224, 0.154602, 0.061911, -0.004102, -0.134379, 0.008526, -0.000718, -0.031234, -0.010139, -0.008568, 0.011724, -0.046212, 0.008741, 0.045238, -0.039076, -0.001589, -0.076725, 0.051107, 0.01607, 0.154602, 0.027403, 0.055667, -0.134379, 0.003641, 0.007742, -0.031234, -0.01249, -0.004497, 0.011724, -0.015536, -0.044391, 0.045238, -0.020915, -0.033046, -0.076725, -0.045181, -0.026085, 0.146722, -0.014846, -0.008572, -0.055109, -0.003208, -0.001852, -0.002737, 0.007408, 0.004277, -0.063697, -0.035754, -0.020642, -0.109616, 0.040641, 0.023464, -0.224315, -0.045252, -0.026126, 0.297687, 0.065416, 0.037768, 0.033946, -0.003638, -0.0021, 0.051131, -0.00215, -0.001242, -0.001478, 0.003543, 0.002046, -0.047902, -0.015456, -0.008923, -0.002229, 0.03719, -0.004309, 0.148409, 0.012181, 0.049589, -0.152686, -0.00017, 0.013658, -0.026112, -0.013582, 0.014489, 0.021825, -0.021323, -0.033073, 0.031301, -0.007565, -0.030559, 0.036689, 0.014863, 0.034362, 0.148409, 0.049036, -0.014246, -0.152686, 0.011743, -0.006977, -0.026112, 0.005757, -0.019007, 0.021825, -0.039304, -0.00193, 0.031301, -0.030247, 0.008729, 0.036689, -0.044717, -0.025817, -0.075511]]},
 "free_energy": -195.37621999,
 "key_value_pairs": {"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -1.532, "absorption_structural_energy": -195.376, "absorption_energy": -22.328, "layer_distance": 1.102, "delta_charge_bader": 0.936, "dipole_bader": 4.955, "delta_charge_hirf": 1.011, "dipole_hirf": 5.349, "index": "(111)", "absorped_atom": "O", "absorped_pos": "h2"},
 "magmom": 3.99e-05,
 "mtime": 25.931667858703314,
 "numbers": {"__ndarray__": [[49], "int32", [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, 8]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[49, 3], "float64", [2.56906, 1.48323, 0.0, 4e-05, 2.9665, 2.09768, 7.70188, 4.44663, 4.18543, 2.56909, 1.48325, 6.26393, 0.00327, 2.96836, 8.32178, 0.03601, 0.02079, 10.40833, 1.28453, 3.70809, 0.0, 1.28457, 0.74164, 2.09768, 8.99091, 2.22436, 4.1748, 1.28851, 3.71039, 6.26721, 1.27442, 0.73578, 8.3314, -1.26364, 2.23692, 10.39663, -1.28454, 3.70809, 0.0, 3.85364, 0.74164, 2.09768, 1.28382, 2.22573, 4.17886, -1.28565, 3.70378, 6.26177, 3.85341, 0.75817, 8.36044, 1.26741, 2.215, 10.3994, -2e-05, 1.48323, 0.0, 2.56912, 2.9665, 2.09768, 0.00041, 4.44866, 4.17886, -0.0043, 1.48442, 6.26177, 2.58332, 2.95803, 8.36044, -0.01709, 4.43981, 10.3994, 7.70721, 1.48323, 0.0, 5.13819, 2.9665, 2.09768, 5.14006, 0.0011, 4.18742, 7.70934, 1.48446, 6.26261, 5.13691, 2.96576, 8.37669, 2.52301, 4.42311, 10.38672, 6.42268, 3.70809, 0.0, 6.42272, 0.74164, 2.09768, 3.8546, 2.22543, 4.18833, 6.41961, 3.70631, 6.28128, 6.44006, 0.75165, 8.39403, 3.78932, 2.18774, 10.54512, 3.85361, 3.70809, 0.0, 8.99179, 0.74164, 2.09768, 6.41712, 2.22363, 4.18377, 3.85829, 3.71246, 6.28483, 8.97719, 0.73361, 8.36727, 6.48506, 2.2075, 10.53592, 5.13813, 1.48323, 0.0, 7.70727, 2.9665, 2.09768, 5.13432, 4.44551, 4.18377, 5.14426, 1.4851, 6.28483, 7.69302, 2.95786, 8.36727, 7.72337, 0.06268, 10.53592, 5.14135, 2.96832, 11.63761]]},
 "stress": {"__ndarray__": [[6], "float64", [0.017468261386828495, 0.015870672227949165, 0.00940692792812971, 0.0006359910554001264, 0.001101582670154514, 0.0013833431166242617]]},
 "unique_id": "8216d2cba17533f871731eea10c9c807",
 "user": "hecc"},
"ids": [1],
"nextid": 2}