{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.895353, 0.0, 0.0, 0.0, 8.895353, 0.0, 0.0, 0.0, 33.546478]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.771454436670123,
 "energy": -168.50982455,
 "forces": {"__ndarray__": [[55, 3], "float64", [0.0, 0.0, -0.007777, 0.0, -0.005955, -0.002049, 0.0, 0.005955, -0.002049, -0.005955, 0.0, -0.002049, -0.001748, -0.001748, -0.004497, -0.001748, 0.001748, -0.004497, 0.005955, 0.0, -0.002049, 0.001748, -0.001748, -0.004497, 0.001748, 0.001748, -0.004497, 0.000119, -0.000119, -0.000162, 0.000119, 0.000119, -0.000162, 0.001539, 0.0, -0.002928, 0.0, -0.001539, -0.002928, 0.0, 0.001539, -0.002928, 0.0, 0.0, -0.00476, -0.000119, -0.000119, -0.000162, -0.000119, 0.000119, -0.000162, -0.001539, 0.0, -0.002928, 0.0, 0.0, 0.002679, 0.0, 0.000294, -0.004084, 0.0, -0.000294, -0.004084, 0.000294, 0.0, -0.004084, 0.000385, 0.000385, -0.00462, 0.000385, -0.000385, -0.00462, -0.000294, 0.0, -0.004084, -0.000385, 0.000385, -0.00462, -0.000385, -0.000385, -0.00462, 0.002479, -0.002479, -0.002563, 0.002479, 0.002479, -0.002563, -0.005921, 0.0, -0.000171, 0.0, 0.005921, -0.000171, 0.0, -0.005921, -0.000171, 0.0, 0.0, 0.003138, -0.002479, -0.002479, -0.002563, -0.002479, 0.002479, -0.002563, 0.005921, 0.0, -0.000171, 0.0, 0.0, -0.281351, 0.0, 0.006386, -0.250755, 0.0, -0.006386, -0.250755, 0.006386, 0.0, -0.250755, 0.000409, 0.000409, -0.278885, 0.000409, -0.000409, -0.278885, -0.006386, 0.0, -0.250755, -0.000409, 0.000409, -0.278885, -0.000409, -0.000409, -0.278885, 0.002546, -0.002546, 0.276608, 0.002546, 0.002546, 0.276608, 0.013759, 0.0, 0.274449, 0.0, -0.013759, 0.274449, 0.0, 0.013759, 0.274449, 0.0, 0.0, 0.28367, -0.002546, -0.002546, 0.276608, -0.002546, 0.002546, 0.276608, -0.013759, 0.0, 0.274449, 0.0, 0.0, 0.003028]]},
 "free_energy": -168.67280135,
 "key_value_pairs": {"str_E": -168.50982, "slab_E": -165.0637, "atom_E": -0.42381475, "ads_E": -3.022305249999979, "distance": 2.05413, "Dipole_val": 2.72553, "plane_index": 100, "ads_site": "0t"},
 "magmom": -7e-07,
 "mtime": 25.03236981261179,
 "numbers": {"__ndarray__": [[55], "int32", [79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 9]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.48256, 1.48256, 11.81567, 1.48256, 4.49923, 11.71635, 1.48256, 7.36124, 11.71635, 4.49923, 1.48256, 11.71635, 4.45212, 4.45212, 11.70635, 4.45212, 7.40834, 11.70635, 7.36124, 1.48256, 11.71635, 7.40834, 4.45212, 11.70635, 7.40834, 7.40834, 11.70635, 2.93966, 0.02545, 9.73718, 2.93966, 2.93966, 9.73718, 2.97281, 5.93024, 9.69557, 5.93024, 8.88766, 9.69557, 5.93024, 2.97281, 9.69557, 5.93024, 5.93024, 9.68908, 0.02545, 0.02545, 9.73718, 0.02545, 2.93966, 9.73718, 8.88766, 5.93024, 9.69557, 1.48256, 1.48256, 7.6515, 1.48256, 4.44709, 7.66139, 1.48256, 7.41337, 7.66139, 4.44709, 1.48256, 7.66139, 4.43724, 4.43724, 7.66528, 4.43724, 7.42323, 7.66528, 7.41337, 1.48256, 7.66139, 7.42323, 4.43724, 7.66528, 7.42323, 7.42323, 7.66528, 2.96492, 0.0002, 5.61122, 2.96492, 2.96492, 5.61122, 2.97234, 5.93024, 5.60865, 5.93024, 8.88813, 5.60865, 5.93024, 2.97234, 5.60865, 5.93024, 5.93024, 5.61692, 0.0002, 0.0002, 5.61122, 0.0002, 2.96492, 5.61122, 8.88813, 5.93024, 5.60865, 1.48256, 1.48256, 3.56431, 1.48256, 4.44768, 3.56431, 1.48256, 7.41279, 3.56431, 4.44768, 1.48256, 3.56431, 4.44768, 4.44768, 3.56431, 4.44768, 7.41279, 3.56431, 7.41279, 1.48256, 3.56431, 7.41279, 4.44768, 3.56431, 7.41279, 7.41279, 3.56431, 2.96511, 0.0, 1.46766, 2.96511, 2.96511, 1.46766, 2.96511, 5.93024, 1.46766, 5.93024, 0.0, 1.46766, 5.93024, 2.96511, 1.46766, 5.93024, 5.93024, 1.46766, 0.0, 0.0, 1.46766, 0.0, 2.96511, 1.46766, 0.0, 5.93024, 1.46766, 1.48256, 1.48256, 13.8698]]},
 "stress": {"__ndarray__": [[6], "float64", [0.01044646999757294, 0.01044646999757294, 0.00220166113660969, -0.0, -0.0, -0.0]]},
 "unique_id": "89f432960b96952b628ee40e053dd324",
 "user": "hecc"},
"ids": [1],
"nextid": 2}