{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.80011, 0.0, 0.0, 4.400055, 7.621119, 0.0, 0.0, 0.0, 33.531212]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44]}}],
 "ctime": 23.77145482279693,
 "energy": -119.88095697,
 "forces": {"__ndarray__": [[46, 3], "float64", [0.0, 0.0, 0.005542, 9.8e-05, -1.9e-05, 0.000771, 6.6e-05, -7.5e-05, 0.000771, 3.2e-05, 9.4e-05, 0.000771, 0.0, 0.0, 0.0058, -6.6e-05, -7.5e-05, 0.000771, -3.2e-05, 9.4e-05, 0.000771, -9.8e-05, -1.9e-05, 0.000771, 0.0, 0.0, 0.008201, -0.003039, -0.001754, 0.004139, -0.003619, 0.002089, -0.004309, 0.0, 0.003509, 0.004139, 0.0, -0.004179, -0.004309, 0.003619, 0.002089, -0.004309, 0.002295, -0.001325, 0.003651, 0.003039, -0.001754, 0.004139, 0.0, 0.00265, 0.003651, -0.002295, -0.001325, 0.003651, 2e-05, 1.1e-05, 0.000236, 0.0, -2.3e-05, 0.000236, -0.000513, 0.000296, 0.004072, -2e-05, 1.1e-05, 0.000236, -0.002019, -0.001166, 0.005622, 0.0, 0.002331, 0.005622, 0.0, -0.000592, 0.004072, 0.002019, -0.001166, 0.005622, 0.000513, 0.000296, 0.004072, 0.0, 0.0, -0.009834, 0.026582, 0.023655, -0.014893, -0.007195, -0.034848, -0.014893, 0.033777, 0.011194, -0.014893, 0.0, -0.0, -0.076402, 0.007195, -0.034848, -0.014893, -0.033777, 0.011194, -0.014893, -0.026582, 0.023655, -0.014893, 0.0, 0.0, 0.013092, -0.004055, -0.002341, 0.022228, 0.018906, -0.010915, 0.004437, 0.0, 0.004682, 0.022228, -0.0, 0.02183, 0.004437, -0.018906, -0.010915, 0.004437, 0.010807, -0.00624, 0.006974, 0.004055, -0.002341, 0.022228, 0.0, 0.012479, 0.006974, -0.010807, -0.00624, 0.006974, 0.0, 0.0, -0.002814]]},
 "free_energy": -119.88367149,
 "key_value_pairs": {"str_E": -119.88096, "slab_E": -116.31755, "atom_E": -1.8878972, "ads_E": -1.6755128000000046, "distance": 1.82843, "Dipole_val": 1.00833, "plane_index": 111, "ads_site": "0t"},
 "magmom": 0.0002678,
 "mtime": 25.093548086501485,
 "numbers": {"__ndarray__": [[46], "int32", [47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 15]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[46, 3], "float64", [4.40005, 2.54037, 11.15441, 5.85796, 5.05438, 11.59274, 2.95181, 0.02078, 11.59274, 7.30621, 2.54595, 11.59274, 8.80011, 5.08075, 11.53254, 5.8483, 0.02078, 11.59274, 1.4939, 2.54595, 11.59274, 2.94215, 5.05438, 11.59274, 0.0, 0.0, 11.49344, 1.48097, 0.85504, 9.14651, 2.90208, 3.40523, 9.00081, 4.40006, 5.91105, 9.14651, 4.40005, 0.81066, 9.00081, 5.89802, 3.40523, 9.00081, 7.3195, 5.93557, 9.17612, 7.31914, 0.85504, 9.14651, 8.80011, 3.37109, 9.17612, 10.28072, 5.93557, 9.17612, 2.92072, 1.68628, 6.67463, 4.40006, 4.24857, 6.67463, 5.86293, 6.77653, 6.73358, 5.87939, 1.68628, 6.67463, 7.35394, 4.2458, 6.70741, 8.80011, 6.75065, 6.70741, 8.80011, 1.68918, 6.73358, 10.24629, 4.2458, 6.70741, 11.73729, 6.77653, 6.73358, 4.40005, 2.54037, 4.31114, 5.86674, 5.08075, 4.31114, 2.93337, 0.0, 4.31114, 7.33343, 2.54037, 4.31114, 8.80011, 5.08075, 4.31114, 5.86674, 0.0, 4.31114, 1.46668, 2.54037, 4.31114, 2.93337, 5.08075, 4.31114, 0.0, 0.0, 4.31114, 1.46668, 0.84679, 1.91607, 2.93337, 3.38716, 1.91607, 4.40006, 5.92754, 1.91607, 4.40005, 0.84679, 1.91607, 5.86673, 3.38716, 1.91607, 7.33342, 5.92754, 1.91607, 7.33343, 0.84679, 1.91607, 8.80011, 3.38716, 1.91607, 10.2668, 5.92754, 1.91607, 4.40005, 2.54037, 13.42116]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005794361170595856, 0.005794367412104982, 0.00011767117155027707, -0.0, -0.0, -0.0]]},
 "unique_id": "8f45a85921d2fd34dc304fde1644f463",
 "user": "hecc"},
"ids": [1],
"nextid": 2}