{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.26639986, 0.0, 0.0, 0.0, 7.26639986, 0.0, 0.0, 0.0, 24.083099365]]},
 "ctime": 21.041521676558073,
 "energy": -193.42465287,
 "forces": {"__ndarray__": [[49, 3], "float64", [-0.0, 0.0, 0.216973, 0.0, 0.0, 0.182749, 0.0, 0.0, 0.182749, 0.0, 0.0, 0.146523, -0.0, 0.0, 0.077131, 0.0, 0.0, 0.065478, -0.0, 0.0, 0.065478, -0.0, 0.0, 0.05962, -0.0, 0.0, 0.082878, -0.0, 0.0, 0.021003, 0.0, 0.0, 0.021003, 0.0, 0.0, -0.002328, 0.020478, 0.020478, 0.372166, 0.020478, -0.020478, 0.372166, -0.020478, 0.020478, 0.372166, -0.020478, -0.020478, 0.372166, 0.005088, 0.005088, 0.038137, 0.005088, -0.005088, 0.038137, -0.005088, 0.005088, 0.038137, -0.005088, -0.005088, 0.038137, 0.013135, 0.013135, -0.164007, 0.013135, -0.013135, -0.164007, -0.013135, 0.013135, -0.164007, -0.013135, -0.013135, -0.164007, -0.0, -0.03242, -0.20856, -0.0, 0.03242, -0.20856, -0.0, 0.008328, -0.219311, -0.0, -0.008328, -0.219311, -0.0, -0.00044, 0.012998, 0.0, 0.00044, 0.012998, -0.0, -0.018888, -0.015953, 0.0, 0.018888, -0.015953, -0.0, -0.001664, -0.131722, 0.0, 0.001664, -0.131722, 0.0, -0.051123, 0.02707, 0.0, 0.051123, 0.02707, -0.03242, 0.0, -0.20856, 0.008328, 0.0, -0.219311, 0.03242, 0.0, -0.20856, -0.008328, 0.0, -0.219311, -0.00044, 0.0, 0.012998, -0.018888, 0.0, -0.015953, 0.00044, 0.0, 0.012998, 0.018888, 0.0, -0.015953, -0.001664, 0.0, -0.131722, -0.051123, 0.0, 0.02707, 0.001664, 0.0, -0.131722, 0.051123, 0.0, 0.02707, 0.0, 0.0, 0.037473]]},
 "free_energy": -193.42465287,
 "key_value_pairs": {"adsorption_surface_energy": -169.214, "adsorption_atomic_energy": -1.247, "absorption_structural_energy": -193.425, "absorption_energy": -22.963, "layer_distance": 2.12, "delta_charge_bader": 0.871, "dipole_bader": 8.869, "delta_charge_hirf": 3.163, "dipole_hirf": 32.207, "index": "(100)", "absorped_atom": "C", "absorped_pos": "f"},
 "magmom": 3.57e-05,
 "mtime": 25.931269800542584,
 "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, 6]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[49, 3], "float64", [0.0, 0.0, 0.0, 0.0, 3.6332, 0.0, 3.6332, 0.0, 0.0, 3.6332, 3.6332, 0.0, 0.0, 0.0, 3.63497, 0.0, 3.6332, 3.63208, 3.6332, 0.0, 3.63208, 3.6332, 3.6332, 3.63376, 0.0, 0.0, 7.27632, 0.0, 3.6332, 7.29546, 3.6332, 0.0, 7.29546, 3.6332, 3.6332, 7.28269, 1.8166, 1.8166, 0.0, 1.8166, 5.4498, 0.0, 5.4498, 1.8166, 0.0, 5.4498, 5.4498, 0.0, 1.81581, 1.81581, 3.6379, 1.81581, 5.45059, 3.6379, 5.45059, 1.81581, 3.6379, 5.45059, 5.45059, 3.6379, 1.8148, 1.8148, 7.27545, 1.8148, 5.4516, 7.27545, 5.4516, 1.8148, 7.27545, 5.4516, 5.4516, 7.27545, 0.0, 1.8166, 1.81659, 0.0, 5.4498, 1.81659, 3.6332, 1.8166, 1.81659, 3.6332, 5.4498, 1.81659, 0.0, 1.82189, 5.45582, 0.0, 5.44451, 5.45582, 3.6332, 1.81982, 5.45507, 3.6332, 5.44658, 5.45507, 0.0, 1.79702, 9.05, 0.0, 5.46938, 9.05, 3.6332, 1.73696, 9.14548, 3.6332, 5.52944, 9.14548, 1.8166, 0.0, 1.81659, 1.8166, 3.6332, 1.81659, 5.4498, 0.0, 1.81659, 5.4498, 3.6332, 1.81659, 1.82189, 0.0, 5.45582, 1.81982, 3.6332, 5.45507, 5.44451, 0.0, 5.45582, 5.44658, 3.6332, 5.45507, 1.79702, 0.0, 9.05, 1.73696, 3.6332, 9.14548, 5.46938, 0.0, 9.05, 5.52944, 3.6332, 9.14548, 3.6332, 3.6332, 9.40287]]},
 "stress": {"__ndarray__": [[6], "float64", [0.019810156750478532, 0.019810156750478532, 0.00813090756092501, -0.0, -0.0, -0.0]]},
 "unique_id": "2ef8fb7b92674bd12df79be923791c67",
 "user": "hecc"},
"ids": [1],
"nextid": 2}