{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.26639986, 0.0, 0.0, 0.0, 10.27630043, 0.0, 0.0, 0.0, 21.422700882]]},
 "ctime": 21.041521681286138,
 "energy": -185.08740788,
 "forces": {"__ndarray__": [[49, 3], "float64", [-0.029323, 0.038991, -0.418825, 0.020623, -0.003053, -0.015947, 0.021314, 0.030318, -0.07979, 9e-05, -0.0, 0.523187, 0.000299, 0.011669, -0.004405, 0.002763, -0.0, -0.081919, -0.000282, -0.023394, 0.442525, 0.003939, -0.0, 0.01624, 0.00117, -0.037997, -0.012738, -0.029323, -0.038991, -0.418825, 0.020623, 0.003053, -0.015947, 0.021314, -0.030318, -0.07979, 0.014774, 0.038985, -0.417391, -0.017449, -0.007044, -0.012597, -0.016127, 0.032555, -0.077009, -0.000528, -0.0, 0.448103, -0.000827, 0.004755, 0.029119, 0.001759, 0.0, 0.022046, -0.000212, -0.040137, 0.615618, 0.001407, 0.0, 0.024209, 0.001449, -0.022789, -0.081928, 0.014774, -0.038985, -0.417391, -0.017449, 0.007044, -0.012597, -0.016127, -0.032555, -0.077009, 0.087646, -0.04401, -0.421908, 0.049723, 0.022928, -0.042033, -0.046685, -0.056367, 0.063225, 0.000119, -0.0, 0.591143, 0.000299, -0.011669, -0.004405, 0.005344, 0.0, -0.089659, -0.000282, 0.023394, 0.442525, 0.000723, -0.0, 0.030963, 0.00117, 0.037997, -0.012738, 0.087646, 0.04401, -0.421908, 0.049723, -0.022928, -0.042033, -0.046685, 0.056367, 0.063225, -0.099051, -0.042528, -0.417419, -0.041792, 0.019372, -0.03919, 0.053087, -0.046158, 0.062682, -0.000682, -0.0, 0.295353, -0.000827, -0.004755, 0.029119, -0.003758, -0.0, -0.104929, -0.000212, 0.040137, 0.615618, -0.00485, 0.0, 0.010146, 0.001449, 0.022789, -0.081928, -0.099051, 0.042528, -0.417419, -0.041792, -0.019372, -0.03919, 0.053087, 0.046158, 0.062682, -0.003001, -0.0, -0.028865]]},
 "free_energy": -185.08740788,
 "key_value_pairs": {"adsorption_surface_energy": -164.302, "adsorption_atomic_energy": -3.124, "absorption_structural_energy": -185.087, "absorption_energy": -17.662, "layer_distance": 1.974, "delta_charge_bader": 1.111, "dipole_bader": 10.534, "delta_charge_hirf": 2.01, "dipole_hirf": 19.054, "index": "(110)", "absorped_atom": "N", "absorped_pos": "h"},
 "magmom": 0.0001542,
 "mtime": 25.93126983487842,
 "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, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[49, 3], "float64", [0.0, 0.0, 1.28451, 0.04151, 2.57002, 3.84574, 7.2354, 10.26681, 6.34198, 1.8166, 1.28454, 0.0, 1.81392, 3.84298, 2.5588, 1.8104, 1.28454, 5.23172, 1.8166, 3.85361, 0.0, 1.81334, 1.28454, 2.57683, 1.81008, 3.93443, 5.35938, 0.0, 2.56908, 1.28451, 0.04151, 10.27536, 3.84574, 7.2354, 2.57856, 6.34198, 3.6332, 0.0, 1.28451, 3.58339, 2.57019, 3.84433, 3.65085, 10.26655, 6.3399, 5.4498, 1.28454, 0.0, 5.44819, 3.86345, 2.55778, 5.44411, 1.28454, 5.17064, 5.4498, 3.85361, 0.0, 5.44762, 1.28454, 2.59292, 5.44445, 3.77253, 5.04897, 3.6332, 2.56908, 1.28451, 3.58339, 10.27518, 3.84433, 3.65085, 2.57883, 6.3399, 0.0, 5.13815, 1.28451, 0.07481, 7.72195, 3.86411, 6.96381, 5.15333, 6.43059, 1.8166, 6.42269, 0.0, 1.81392, 9.0024, 2.5588, 1.80964, 6.42269, 5.36265, 1.8166, 8.99176, 0.0, 1.81408, 6.42269, 2.56777, 1.81008, 8.91094, 5.35938, 0.0, 7.70723, 1.28451, 0.07481, 5.12342, 3.86411, 6.96381, 7.69205, 6.43059, 3.6332, 5.13815, 1.28451, 3.54936, 7.72249, 3.86378, 3.92195, 5.15213, 6.42958, 5.4498, 6.42269, 0.0, 5.44819, 8.98192, 2.55778, 5.4449, 6.42269, 4.84176, 5.4498, 8.99176, 0.0, 5.44939, 6.42269, 2.48025, 5.44445, 9.07285, 5.04897, 3.6332, 7.70723, 1.28451, 3.54936, 5.12289, 3.86378, 3.92195, 7.69324, 6.42958, 5.44246, 6.42269, 6.81559]]},
 "stress": {"__ndarray__": [[6], "float64", [0.02127099444440976, 0.015036956404950183, 0.005596886063362036, -0.0, -0.00013326246134673345, -0.0]]},
 "unique_id": "457f0c6f5eda2f9d228aa86de92aa40c",
 "user": "hecc"},
"ids": [1],
"nextid": 2}