{"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": [55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72]}}],
 "ctime": 23.771454494770737,
 "energy": -221.95733105,
 "forces": {"__ndarray__": [[73, 3], "float64", [-0.0, -0.0, -0.008376, -0.000933, -0.000291, -0.001714, -0.000933, 0.000291, -0.001714, 0.00543, -0.0, -0.001867, 0.000933, -0.000291, -0.001714, 0.000933, 0.000291, -0.001714, -0.00543, -0.0, -0.001867, -0.0, -0.001891, -0.000134, -0.0, 0.001891, -0.000134, -0.0, -0.0, 0.00294, -0.0, -0.002023, 0.001342, -0.0, -0.0, 0.001511, -0.0, 0.002023, 0.001342, -0.003735, 0.001362, -0.004318, 0.000849, -0.0, 0.002298, -0.003735, -0.001362, -0.004318, 0.003735, 0.001362, -0.004318, -0.000849, -0.0, 0.002298, 0.003735, -0.001362, -0.004318, -6.3e-05, -0.00228, 0.00302, -6.3e-05, 0.00228, 0.00302, 0.001041, -0.0, -0.002735, 6.3e-05, -0.00228, 0.00302, 6.3e-05, 0.00228, 0.00302, -0.001041, -0.0, -0.002735, -0.0, 0.002163, -0.00301, -0.0, -0.002163, -0.00301, -0.0, -0.0, -0.006368, -0.0, 0.000761, -0.001534, -0.0, -0.0, -0.000602, -0.0, -0.000761, -0.001534, -0.001148, -0.003282, -0.003093, 0.004055, -0.0, -0.000804, -0.001148, 0.003282, -0.003093, 0.001148, -0.003282, -0.003093, -0.004055, -0.0, -0.000804, 0.001148, 0.003282, -0.003093, 0.000901, -0.001744, -0.002056, 0.000901, 0.001744, -0.002056, 0.001358, -0.0, 0.001353, -0.000901, -0.001744, -0.002056, -0.000901, 0.001744, -0.002056, -0.001358, -0.0, 0.001353, -0.0, 0.005201, 0.001039, -0.0, -0.005201, 0.001039, -0.0, -0.0, -0.000627, -0.0, 0.001767, -0.000449, -0.0, -0.0, 0.001114, -0.0, -0.001767, -0.000449, -0.00104, -0.002053, -0.000843, 0.003109, -0.0, -0.004566, -0.00104, 0.002053, -0.000843, 0.00104, -0.002053, -0.000843, -0.003109, -0.0, -0.004566, 0.00104, 0.002053, -0.000843, 0.006135, -0.009444, -0.512734, 0.006135, 0.009444, -0.512734, 0.008482, -0.0, -0.510888, -0.006135, -0.009444, -0.512734, -0.006135, 0.009444, -0.512734, -0.008482, -0.0, -0.510888, -0.0, 0.002455, -0.509418, -0.0, -0.002455, -0.509418, -0.0, -0.0, -0.491516, -0.0, 0.003506, 0.501954, -0.0, -0.0, 0.516445, -0.0, -0.003506, 0.501954, -0.012671, -0.003999, 0.522267, -0.000931, -0.0, 0.519096, -0.012671, 0.003999, 0.522267, 0.012671, -0.003999, 0.522267, 0.000931, -0.0, 0.519096, 0.012671, 0.003999, 0.522267]]},
 "free_energy": -222.02308517,
 "key_value_pairs": {"str_E": -221.95733, "slab_E": -218.52697, "atom_E": -1.1170954, "ads_E": -2.313264600000007, "distance": 1.01126, "Dipole_val": 0.0798536, "plane_index": 110, "ads_site": "1b"},
 "magmom": 5e-07,
 "mtime": 24.87279455160035,
 "numbers": {"__ndarray__": [[73], "int32", [1, 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]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[73, 3], "float64", [2.22384, 0.0, 12.57577, 0.7406, 4.1914, 11.39588, 0.7406, 8.38852, 11.39588, 0.75625, 0.0, 11.56451, 3.70708, 4.1914, 11.39588, 3.70708, 8.38852, 11.39588, 3.69143, 0.0, 11.56451, 6.67151, 4.16032, 11.39566, 6.67151, 8.41961, 11.39566, 6.67151, 0.0, 11.43769, 2.22384, 2.10745, 10.15361, 2.22384, 6.28996, 10.17775, 2.22384, 10.47248, 10.15361, 5.16941, 2.06087, 10.21032, 5.20082, 6.28996, 10.19215, 5.16941, 10.51906, 10.21032, 8.17362, 2.06087, 10.21032, 8.14221, 6.28996, 10.19215, 8.17362, 10.51906, 10.21032, 0.7346, 4.19488, 8.57221, 0.7346, 8.38505, 8.57221, 0.734, 0.0, 8.64431, 3.71308, 4.19488, 8.57221, 3.71308, 8.38505, 8.57221, 3.71367, 0.0, 8.64431, 6.67151, 4.18844, 8.57843, 6.67151, 8.39149, 8.57843, 6.67151, 0.0, 8.59857, 2.22384, 2.07358, 7.20468, 2.22384, 6.28996, 7.19202, 2.22384, 10.50635, 7.20468, 5.1894, 2.09026, 7.20273, 5.18922, 6.28996, 7.1907, 5.1894, 10.48966, 7.20273, 8.15363, 2.09026, 7.20273, 8.15381, 6.28996, 7.1907, 8.15363, 10.48966, 7.20273, 0.74371, 4.18578, 5.7107, 0.74371, 8.39415, 5.7107, 0.738, 0.0, 5.72407, 3.70397, 4.18578, 5.7107, 3.70397, 8.39415, 5.7107, 3.70968, 0.0, 5.72407, 6.67151, 4.19145, 5.70878, 6.67151, 8.38847, 5.70878, 6.67151, 0.0, 5.72003, 2.22384, 2.08969, 4.27486, 2.22384, 6.28996, 4.26852, 2.22384, 10.49024, 4.27486, 5.18801, 2.09459, 4.26913, 5.18549, 6.28996, 4.26807, 5.18801, 10.48534, 4.26913, 8.15502, 2.09459, 4.26913, 8.15754, 6.28996, 4.26807, 8.15502, 10.48534, 4.26913, 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]]},
 "stress": {"__ndarray__": [[6], "float64", [0.013350912578738834, 0.006959332607432841, 0.0020643791433858877, -0.0, -0.0, -0.0]]},
 "unique_id": "659308b0d9b5e65afae42ffe7fd2cdaf",
 "user": "hecc"},
"ids": [1],
"nextid": 2}