{"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": 23.771454855224246,
 "energy": -190.58250202,
 "forces": {"__ndarray__": [[55, 3], "float64", [0.0, 0.0, 0.001562, -0.0, 0.001554, -0.002516, -0.0, -0.001554, -0.002516, 0.001554, -0.0, -0.002516, -0.000166, -0.000166, 0.005824, -0.000166, 0.000166, 0.005824, -0.001554, 0.0, -0.002516, 0.000166, -0.000166, 0.005824, 0.000166, 0.000166, 0.005824, 0.000818, -0.000818, -0.00061, 0.000818, 0.000818, -0.00061, 0.001838, -0.0, -0.002272, -0.0, -0.001838, -0.002272, -0.0, 0.001838, -0.002272, -0.0, 0.0, 0.004996, -0.000818, -0.000818, -0.00061, -0.000818, 0.000818, -0.00061, -0.001838, 0.0, -0.002272, -0.0, 0.0, 0.002634, 0.0, 0.000709, 0.000122, -0.0, -0.000709, 0.000122, 0.000709, 0.0, 0.000122, 0.001303, 0.001303, -0.001613, 0.001303, -0.001303, -0.001613, -0.000709, 0.0, 0.000122, -0.001303, 0.001303, -0.001613, -0.001303, -0.001303, -0.001613, 0.0005, -0.0005, -0.001037, 0.0005, 0.0005, -0.001037, -0.001911, 0.0, 0.001533, 0.0, 0.001911, 0.001533, -0.0, -0.001911, 0.001533, -0.0, 0.0, -0.003368, -0.0005, -0.0005, -0.001037, -0.0005, 0.0005, -0.001037, 0.001911, -0.0, 0.001533, -0.0, 0.0, -0.176212, 0.0, -0.000615, -0.176109, -0.0, 0.000615, -0.176109, -0.000615, 0.0, -0.176109, 2.2e-05, 2.2e-05, -0.176236, 2.2e-05, -2.2e-05, -0.176236, 0.000615, 0.0, -0.176109, -2.2e-05, 2.2e-05, -0.176236, -2.2e-05, -2.2e-05, -0.176236, 0.000709, -0.000709, 0.174705, 0.000709, 0.000709, 0.174705, 0.000774, 0.0, 0.174784, -0.0, -0.000774, 0.174784, -0.0, 0.000774, 0.174784, 0.0, -0.0, 0.174875, -0.000709, -0.000709, 0.174705, -0.000709, 0.000709, 0.174705, -0.000774, -0.0, 0.174784, -0.0, 0.0, 0.009216]]},
 "free_energy": -190.59249642,
 "key_value_pairs": {"str_E": -190.5825, "slab_E": -190.59214, "atom_E": -0.0125517, "ads_E": 0.022191699999990322, "distance": -3.50874, "Dipole_val": -0.0216472, "plane_index": 100, "ads_site": "0t"},
 "magmom": 5.23e-05,
 "mtime": 25.09395686331755,
 "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, 10]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.28552, 1.28552, 10.34501, 1.28552, 3.85616, 10.34731, 1.28552, 6.42795, 10.34731, 3.85616, 1.28552, 10.34731, 3.85664, 3.85664, 10.34445, 3.85664, 6.42747, 10.34445, 6.42795, 1.28552, 10.34731, 6.42747, 3.85664, 10.34445, 6.42747, 6.42747, 10.34445, 2.57083, 0.00019, 8.57777, 2.57083, 2.57083, 8.57777, 2.57027, 5.14206, 8.57811, 5.14206, 0.00075, 8.57811, 5.14206, 2.57027, 8.57811, 5.14206, 5.14206, 8.57579, 0.00019, 0.00019, 8.57777, 0.00019, 2.57083, 8.57777, 0.00075, 5.14206, 8.57811, 1.28552, 1.28552, 6.74583, 1.28552, 3.85639, 6.74631, 1.28552, 6.42771, 6.74631, 3.85639, 1.28552, 6.74631, 3.85604, 3.85604, 6.74702, 3.85604, 6.42807, 6.74702, 6.42771, 1.28552, 6.74631, 6.42807, 3.85604, 6.74702, 6.42807, 6.42807, 6.74702, 2.57109, 7.71301, 4.91857, 2.57109, 2.57109, 4.91857, 2.57147, 5.14206, 4.91844, 5.14206, 7.71264, 4.91844, 5.14206, 2.57147, 4.91844, 5.14206, 5.14206, 4.91979, 7.71301, 7.71301, 4.91857, 7.71301, 2.57109, 4.91857, 7.71264, 5.14206, 4.91844, 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, 13.85605]]},
 "stress": {"__ndarray__": [[6], "float64", [0.009326986679245395, 0.009326986679245395, 0.002231245889866377, -0.0, -0.0, -0.0]]},
 "unique_id": "92057423ecacc7b0d2daada02a505f87",
 "user": "hecc"},
"ids": [1],
"nextid": 2}