{"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": 23.77145499658538,
 "energy": -195.0239595,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.0, 0.004482, -0.001449, -0.000836, 0.003667, -0.000468, 0.00027, 0.00126, -0.0, 0.001673, 0.003667, 0.0, -0.00054, 0.00126, 0.000468, 0.00027, 0.00126, -0.00116, 0.00067, 0.003205, 0.001449, -0.000836, 0.003667, 0.0, -0.00134, 0.003205, 0.00116, 0.00067, 0.003205, 0.0, 0.0, 0.005219, 0.002926, 0.003257, 0.004211, -0.001358, -0.004163, 0.004211, 0.004284, 0.000905, 0.004211, -0.0, 0.0, 0.006311, 0.001358, -0.004163, 0.004211, -0.004284, 0.000905, 0.004211, -0.002926, 0.003257, 0.004211, 0.0, 0.0, 0.004929, -0.002675, -0.001545, 0.007663, -0.0, 0.003089, 0.007663, 0.001336, -0.000771, 0.008501, 0.002675, -0.001545, 0.007663, 0.003848, 0.002222, 0.000594, 0.0, -0.004443, 0.000594, -0.0, 0.001543, 0.008501, -0.003848, 0.002222, 0.000594, -0.001336, -0.000771, 0.008501, -0.000104, -6e-05, 0.002638, 0.001512, -0.000873, -0.004188, -0.0, 0.00012, 0.002638, -0.0, 0.001746, -0.004188, -0.001512, -0.000873, -0.004188, -0.006677, 0.003855, -0.002477, 0.000104, -6e-05, 0.002638, 0.0, -0.00771, -0.002477, 0.006677, 0.003855, -0.002477, 0.0, 0.0, -0.071743, 0.003129, 0.003236, -0.073003, -0.001238, -0.004328, -0.073003, 0.004367, 0.001092, -0.073003, -0.0, 0.0, -0.061488, 0.001238, -0.004328, -0.073003, -0.004367, 0.001092, -0.073003, -0.003129, 0.003236, -0.073003, -0.0, 0.0, -0.095846, 0.003484, 0.002012, 0.064816, 0.0, -0.004023, 0.064816, -5.7e-05, 3.3e-05, 0.059016, -0.003484, 0.002012, 0.064816, -0.001927, -0.001113, 0.062268, -0.0, 0.002226, 0.062268, 0.0, -6.6e-05, 0.059016, 0.001927, -0.001113, 0.062268, 5.7e-05, 3.3e-05, 0.059016]]},
 "free_energy": -195.2324888,
 "key_value_pairs": {"str_E": -195.02396, "slab_E": -192.84492, "atom_E": -0.22474232, "ads_E": -1.9542976799999863, "distance": 2.37609, "Dipole_val": -4.50241, "plane_index": 111, "ads_site": "3h"},
 "magmom": -1e-07,
 "mtime": 24.982267183965643,
 "numbers": {"__ndarray__": [[55], "int32", [11, 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", [2.57102, 1.48438, 14.34994, 3.86136, 2.22936, 11.91498, 5.13969, 4.45451, 11.9602, 6.42756, 6.67415, 11.91498, 6.42757, 2.22385, 11.9602, 7.71544, 4.45451, 11.9602, 5.13451, 0.00435, 11.97386, 8.99377, 2.22936, 11.91498, 2.57103, 4.44444, 11.97386, 0.00754, 0.00435, 11.97386, 2.57102, 1.48438, 9.82302, 3.85402, 3.71499, 9.85725, 5.13731, 5.9377, 9.85725, 5.14429, 1.48019, 9.85725, 6.42757, 3.71096, 9.87347, 7.71783, 5.9377, 9.85725, 7.71085, 1.48019, 9.85725, 9.00111, 3.71499, 9.85725, 10.28411, 5.93753, 9.88542, 1.2819, 0.7401, 7.75362, 2.57102, 2.97294, 7.75362, 3.85344, 5.19713, 7.76759, 3.86015, 0.7401, 7.75362, 5.14296, 2.96929, 7.76844, 6.42756, 5.19429, 7.76844, 6.42757, 0.73862, 7.76759, 7.71217, 2.96929, 7.76844, 9.00169, 5.19713, 7.76759, 3.85768, 2.22723, 5.65851, 5.14182, 4.45328, 5.66335, 6.42756, 6.6784, 5.65851, 6.42757, 2.22631, 5.66335, 7.71331, 4.45328, 5.66335, 9.00108, 6.67829, 5.65846, 8.99745, 2.22723, 5.65851, 10.28411, 4.45602, 5.65846, 11.56714, 6.67829, 5.65846, 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", [0.0077955450340821755, 0.007795538792573049, 0.0008798031263845041, 0.0, 0.0, -0.0]]},
 "unique_id": "492e8d0956576be5e17b08474bb269e6",
 "user": "hecc"},
"ids": [1],
"nextid": 2}