{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.895353, 0.0, 0.0, 0.0, 12.579929, 0.0, 0.0, 0.0, 32.616296]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}],
 "ctime": 23.771454521465586,
 "energy": -218.53027062,
 "forces": {"__ndarray__": [[73, 3], "float64", [-0.0, -0.002699, 0.006443, -0.0, 0.002699, 0.006443, -0.0, -0.0, 6.9e-05, 0.001815, -0.005172, -0.002266, 0.001815, 0.005172, -0.002266, 0.00044, -0.0, -0.00091, -0.001815, -0.005172, -0.002266, -0.001815, 0.005172, -0.002266, -0.00044, -0.0, -0.00091, 0.000233, -0.003425, -0.003354, 0.002052, -0.0, -0.000408, 0.000233, 0.003425, -0.003354, 0.0, -0.002649, -0.00528, -0.0, -0.0, -0.001267, 0.0, 0.002649, -0.00528, -0.000233, -0.003425, -0.003354, -0.002052, -0.0, -0.000408, -0.000233, 0.003425, -0.003354, 0.0, -0.003986, -0.000349, 0.0, 0.003986, -0.000349, -0.0, -0.0, 0.007426, -0.000421, -0.002173, 0.004137, -0.000421, 0.002173, 0.004137, -0.002758, -0.0, -0.002839, 0.000421, -0.002173, 0.004137, 0.000421, 0.002173, 0.004137, 0.002758, -0.0, -0.002839, -0.000827, -0.000602, -0.001858, 0.004559, -0.0, -0.001336, -0.000827, 0.000602, -0.001858, 0.0, 0.006459, -0.000489, -0.0, -0.0, -0.001591, 0.0, -0.006459, -0.000489, 0.000827, -0.000602, -0.001858, -0.004559, -0.0, -0.001336, 0.000827, 0.000602, -0.001858, -0.0, 0.00025, -0.001944, -0.0, -0.00025, -0.001944, -0.0, -0.0, -0.000104, 0.000582, -0.003645, 0.005092, 0.000582, 0.003645, 0.005092, 0.001301, -0.0, -0.00019, -0.000582, -0.003645, 0.005092, -0.000582, 0.003645, 0.005092, -0.001301, -0.0, -0.00019, -4e-05, -0.001593, 0.001699, 0.001847, -0.0, -0.001566, -4e-05, 0.001593, 0.001699, -0.0, -0.002728, 0.001117, -0.0, -0.0, 0.000125, -0.0, 0.002728, 0.001117, 4e-05, -0.001593, 0.001699, -0.001847, -0.0, -0.001566, 4e-05, 0.001593, 0.001699, -0.0, -0.001029, -0.516702, -0.0, 0.001029, -0.516702, -0.0, -0.0, -0.515208, -0.000383, -0.000545, -0.518875, -0.000383, 0.000545, -0.518875, 0.00085, -0.0, -0.513829, 0.000383, -0.000545, -0.518875, 0.000383, 0.000545, -0.518875, -0.00085, -0.0, -0.513829, 8.4e-05, 9.9e-05, 0.515466, 0.000329, -0.0, 0.515929, 8.4e-05, -9.9e-05, 0.515466, 0.0, -0.000241, 0.516647, -0.0, -0.0, 0.513714, 0.0, 0.000241, 0.516647, -8.4e-05, 9.9e-05, 0.515466, -0.000329, -0.0, 0.515929, -8.4e-05, -9.9e-05, 0.515466, -0.0, -0.0, 0.008082]]},
 "free_energy": -218.60326782,
 "key_value_pairs": {"str_E": -218.53027, "slab_E": -218.52697, "atom_E": 0.0017485894, "ads_E": -0.005048589399995862, "distance": 3.61027, "Dipole_val": -0.0244814, "plane_index": 110, "ads_site": "0t"},
 "magmom": 9e-07,
 "mtime": 24.872789835207158,
 "numbers": {"__ndarray__": [[73], "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, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 2]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [0.74128, 4.19745, 11.42089, 0.74128, 8.38248, 11.42089, 0.74128, 0.0, 11.41605, 3.70552, 4.19949, 11.42301, 3.70552, 8.38044, 11.42301, 3.7066, 0.0, 11.42221, 6.6724, 4.19949, 11.42301, 6.6724, 8.38044, 11.42301, 6.67131, 0.0, 11.42221, 2.22474, 2.09987, 10.20196, 2.22332, 6.28996, 10.1925, 2.22474, 10.48006, 10.20196, 5.18895, 2.10057, 10.20521, 5.18895, 6.28996, 10.19379, 5.18895, 10.47936, 10.20521, 8.15318, 2.09987, 10.20196, 8.15459, 6.28996, 10.1925, 8.15318, 10.48006, 10.20196, 0.74128, 4.19306, 8.58832, 0.74128, 8.38687, 8.58832, 0.74128, 0.0, 8.58677, 3.70709, 4.19296, 8.58787, 3.70709, 8.38697, 8.58787, 3.70678, 0.0, 8.59295, 6.67083, 4.19296, 8.58787, 6.67083, 8.38697, 8.58787, 6.67114, 0.0, 8.59295, 2.22476, 2.09651, 7.20253, 2.22298, 6.28996, 7.19903, 2.22476, 10.48342, 7.20253, 5.18895, 2.09427, 7.20297, 5.18895, 6.28996, 7.19903, 5.18895, 10.48566, 7.20297, 8.15315, 2.09651, 7.20253, 8.15493, 6.28996, 7.19903, 8.15315, 10.48342, 7.20253, 0.74128, 4.19151, 5.71385, 0.74128, 8.38842, 5.71385, 0.74128, 0.0, 5.71365, 3.7065, 4.19337, 5.71245, 3.7065, 8.38656, 5.71245, 3.70587, 0.0, 5.71516, 6.67142, 4.19337, 5.71245, 6.67142, 8.38656, 5.71245, 6.67204, 0.0, 5.71516, 2.22409, 2.09649, 4.2705, 2.22288, 6.28996, 4.27064, 2.22409, 10.48344, 4.2705, 5.18895, 2.09655, 4.27118, 5.18895, 6.28996, 4.26966, 5.18895, 10.48338, 4.27118, 8.15383, 2.09649, 4.2705, 8.15503, 6.28996, 4.27064, 8.15383, 10.48344, 4.2705, 0.74128, 4.19331, 2.81687, 0.74128, 8.38662, 2.81687, 0.74128, 0.0, 2.81687, 3.7064, 4.19331, 2.81687, 3.7064, 8.38662, 2.81687, 3.7064, 0.0, 2.81687, 6.67151, 4.19331, 2.81687, 6.67151, 8.38662, 2.81687, 6.67151, 0.0, 2.81687, 2.22384, 2.09666, 1.3343, 2.22384, 6.28996, 1.3343, 2.22384, 10.48327, 1.3343, 5.18895, 2.09666, 1.3343, 5.18895, 6.28996, 1.3343, 5.18895, 10.48327, 1.3343, 8.15408, 2.09666, 1.3343, 8.15408, 6.28996, 1.3343, 8.15408, 10.48327, 1.3343, 0.74128, 0.0, 15.03328]]},
 "stress": {"__ndarray__": [[6], "float64", [0.013314874105045987, 0.00697901208570675, 0.0019628609974533967, -0.0, -0.0, -0.0]]},
 "unique_id": "eaeb28837bc2b8d049d4659bedb41b56",
 "user": "hecc"},
"ids": [1],
"nextid": 2}