{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.713081, 0.0, 0.0, 0.0, 7.713081, 0.0, 0.0, 0.0, 29.087848]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.771454847558115,
 "energy": -190.56408553,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.0, 0.007267, 0.0, -0.002202, 0.003114, -0.0, 0.002202, 0.003114, -0.002202, -0.0, 0.003114, 0.000109, 0.000109, -0.003559, 0.000109, -0.000109, -0.003559, 0.002202, 0.0, 0.003114, -0.000109, 0.000109, -0.003559, -0.000109, -0.000109, -0.003559, 0.000415, -0.000415, -0.007781, 0.000415, 0.000415, -0.007781, -0.005352, -0.0, -0.004122, 0.0, 0.005352, -0.004122, -0.0, -0.005352, -0.004122, -0.0, 0.0, -1.3e-05, -0.000415, -0.000415, -0.007781, -0.000415, 0.000415, -0.007781, 0.005352, -0.0, -0.004122, -0.0, 0.0, 0.001658, 0.0, 0.006523, -0.001062, 0.0, -0.006523, -0.001062, 0.006523, 0.0, -0.001062, -0.002099, -0.002099, -0.005746, -0.002099, 0.002099, -0.005746, -0.006523, 0.0, -0.001062, 0.002099, -0.002099, -0.005746, 0.002099, 0.002099, -0.005746, 0.001116, -0.001116, -0.003634, 0.001116, 0.001116, -0.003634, -0.003977, 0.0, 0.005747, -0.0, 0.003977, 0.005747, -0.0, -0.003977, 0.005747, 0.0, -0.0, 0.001799, -0.001116, -0.001116, -0.003634, -0.001116, 0.001116, -0.003634, 0.003977, -0.0, 0.005747, 0.0, 0.0, -0.166185, 0.0, -0.001887, -0.167471, 0.0, 0.001887, -0.167471, -0.001887, 0.0, -0.167471, -0.001289, -0.001289, -0.169606, -0.001289, 0.001289, -0.169606, 0.001887, -0.0, -0.167471, 0.001289, -0.001289, -0.169606, 0.001289, 0.001289, -0.169606, 0.000804, -0.000804, 0.174234, 0.000804, 0.000804, 0.174234, 0.000901, 0.0, 0.173944, -0.0, -0.000901, 0.173944, 0.0, 0.000901, 0.173944, -0.0, 0.0, 0.173698, -0.000804, -0.000804, 0.174234, -0.000804, 0.000804, 0.174234, -0.000901, 0.0, 0.173944, -0.0, 0.0, 0.005544]]},
 "free_energy": -190.57380606,
 "key_value_pairs": {"str_E": -190.56409, "slab_E": -190.59214, "atom_E": 0.0017485894, "ads_E": 0.026301410600007458, "distance": -3.69278, "Dipole_val": -0.0167992, "plane_index": 100, "ads_site": "0t"},
 "magmom": 0.0001119,
 "mtime": 25.09393769142747,
 "numbers": {"__ndarray__": [[55], "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, 29, 29, 29, 29, 29, 29, 2]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.28552, 1.28552, 10.35208, 1.28552, 3.85718, 10.35342, 1.28552, 6.42692, 10.35342, 3.85718, 1.28552, 10.35342, 3.85647, 3.85647, 10.35608, 3.85647, 6.42764, 10.35608, 6.42692, 1.28552, 10.35342, 6.42764, 3.85647, 10.35608, 6.42764, 6.42764, 10.35608, 2.57134, 7.71277, 8.5858, 2.57134, 2.57134, 8.5858, 2.57216, 5.14206, 8.58542, 5.14206, 7.71195, 8.58542, 5.14206, 2.57216, 8.58542, 5.14206, 5.14206, 8.58615, 7.71277, 7.71277, 8.5858, 7.71277, 2.57134, 8.5858, 7.71195, 5.14206, 8.58542, 1.28552, 1.28552, 6.75187, 1.28552, 3.85591, 6.75203, 1.28552, 6.4282, 6.75203, 3.85591, 1.28552, 6.75203, 3.85682, 3.85682, 6.75265, 3.85682, 6.42729, 6.75265, 6.4282, 1.28552, 6.75203, 6.42729, 3.85682, 6.75265, 6.42729, 6.42729, 6.75265, 2.57106, 7.71304, 4.9219, 2.57106, 2.57106, 4.9219, 2.57163, 5.14206, 4.92065, 5.14206, 7.71248, 4.92065, 5.14206, 2.57163, 4.92065, 5.14206, 5.14206, 4.92107, 7.71304, 7.71304, 4.9219, 7.71304, 2.57106, 4.9219, 7.71248, 5.14206, 4.92065, 1.28552, 1.28552, 3.09058, 1.28552, 3.85654, 3.09058, 1.28552, 6.42756, 3.09058, 3.85654, 1.28552, 3.09058, 3.85654, 3.85654, 3.09058, 3.85654, 6.42756, 3.09058, 6.42756, 1.28552, 3.09058, 6.42756, 3.85654, 3.09058, 6.42756, 6.42756, 3.09058, 2.57102, 0.0, 1.27259, 2.57102, 2.57102, 1.27259, 2.57102, 5.14206, 1.27259, 5.14206, 0.0, 1.27259, 5.14206, 2.57102, 1.27259, 5.14206, 5.14206, 1.27259, 0.0, 0.0, 1.27259, 0.0, 2.57102, 1.27259, 0.0, 5.14206, 1.27259, 1.28552, 1.28552, 14.04886]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00969215241216432, 0.00969215241216432, 0.002550055934507367, -0.0, -0.0, -0.0]]},
 "unique_id": "4dc94ef7e21cd67ac591f592749d5af0",
 "user": "hecc"},
"ids": [1],
"nextid": 2}