{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.80011, 0.0, 0.0, 0.0, 12.445235, 0.0, 0.0, 0.0, 32.26707]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71]}}],
 "ctime": 23.771454755814247,
 "energy": -186.89507642,
 "forces": {"__ndarray__": [[73, 3], "float64", [0.0, -0.021614, 0.024989, 0.0, 0.021614, 0.024989, 0.0, 0.0, 0.300829, 0.00399, -0.00036, 0.002552, 0.00399, 0.00036, 0.002552, -0.05154, 0.0, 0.061179, -0.00399, -0.00036, 0.002552, -0.00399, 0.00036, 0.002552, 0.05154, 0.0, 0.061179, -0.022092, -0.007982, 0.015595, -0.003102, 0.0, 0.000782, -0.022092, 0.007982, 0.015595, 0.0, 0.001686, -0.003131, 0.0, 0.0, -0.008863, 0.0, -0.001686, -0.003131, 0.022092, -0.007982, 0.015595, 0.003102, 0.0, 0.000782, 0.022092, 0.007982, 0.015595, 0.0, 0.005903, -0.012443, 0.0, -0.005903, -0.012443, 0.0, 0.0, -0.031362, -0.01184, 0.000155, 0.002112, -0.01184, -0.000155, 0.002112, 0.005713, 0.0, -0.00996, 0.01184, 0.000155, 0.002112, 0.01184, -0.000155, 0.002112, -0.005713, 0.0, -0.00996, -0.001351, 0.002542, 0.00901, -0.000611, 0.0, -0.005668, -0.001351, -0.002542, 0.00901, 0.0, 0.000439, 0.005445, 0.0, 0.0, 0.016463, 0.0, -0.000439, 0.005445, 0.001351, 0.002542, 0.00901, 0.000611, 0.0, -0.005668, 0.001351, -0.002542, 0.00901, 0.0, 0.00452, -0.019357, 0.0, -0.00452, -0.019357, 0.0, 0.0, -0.143306, 0.026746, 0.001712, 0.004026, 0.026746, -0.001712, 0.004026, 0.007676, 0.0, 0.046874, -0.026746, 0.001712, 0.004026, -0.026746, -0.001712, 0.004026, -0.007676, 0.0, 0.046874, 0.000296, 0.002024, -0.009819, -0.015303, 0.0, -0.001997, 0.000296, -0.002024, -0.009819, 0.0, -0.001228, -0.011862, 0.0, 0.0, -0.01813, 0.0, 0.001228, -0.011862, -0.000296, 0.002024, -0.009819, 0.015303, 0.0, -0.001997, -0.000296, -0.002024, -0.009819, -0.0, 0.003457, -0.248644, -0.0, -0.003457, -0.248644, 0.0, 0.0, -0.261309, -0.007658, 0.006378, -0.242296, -0.007658, -0.006378, -0.242296, -0.012422, 0.0, -0.249008, 0.007658, 0.006378, -0.242296, 0.007658, -0.006378, -0.242296, 0.012422, 0.0, -0.249008, -0.010534, -0.000619, 0.252793, -0.003339, 0.0, 0.26225, -0.010534, 0.000619, 0.252793, 0.0, -0.008617, 0.279459, 0.0, 0.0, 0.258543, 0.0, 0.008617, 0.279459, 0.010534, -0.000619, 0.252793, 0.003339, 0.0, 0.26225, 0.010534, 0.000619, 0.252793, 0.0, 0.0, -0.486566]]},
 "free_energy": -186.95623957,
 "key_value_pairs": {"str_E": -186.89508, "slab_E": -183.62805, "atom_E": -1.8878972, "ads_E": -1.3791328000000054, "distance": 1.98317, "Dipole_val": 2.05719, "plane_index": 110, "ads_site": "0t"},
 "magmom": 0.0002432,
 "mtime": 25.073932206895382,
 "numbers": {"__ndarray__": [[73], "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, 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__": [[73, 3], "float64", [0.73334, 4.14793, 11.49783, 0.73334, 8.2973, 11.49783, 0.73334, 0.0, 11.36038, 3.67272, 4.13782, 11.49913, 3.67272, 8.30742, 11.49913, 3.57808, 0.0, 11.65678, 6.59408, 4.13782, 11.49913, 6.59408, 8.30742, 11.49913, 6.68872, 0.0, 11.65678, 2.21062, 2.09299, 10.13155, 2.20403, 6.22262, 10.17453, 2.21062, 10.35224, 10.13155, 5.13339, 2.00354, 10.23438, 5.13339, 6.22262, 10.17229, 5.13339, 10.4417, 10.23438, 8.05618, 2.09299, 10.13155, 8.06277, 6.22262, 10.17453, 8.05618, 10.35224, 10.13155, 0.73334, 4.15957, 8.63465, 0.73334, 8.28567, 8.63465, 0.73334, 0.0, 8.58046, 3.67658, 4.14311, 8.645, 3.67658, 8.30212, 8.645, 3.6615, 0.0, 8.69217, 6.59021, 4.14311, 8.645, 6.59021, 8.30212, 8.645, 6.60529, 0.0, 8.69217, 2.20768, 2.07612, 7.18671, 2.20487, 6.22262, 7.19926, 2.20768, 10.36911, 7.18671, 5.13339, 2.06068, 7.21295, 5.13339, 6.22262, 7.20576, 5.13339, 10.38456, 7.21295, 8.05911, 2.07612, 7.18671, 8.06192, 6.22262, 7.19926, 8.05911, 10.36911, 7.18671, 0.73334, 4.14841, 5.72008, 0.73334, 8.29683, 5.72008, 0.73334, 0.0, 5.72008, 3.66672, 4.14841, 5.72008, 3.66672, 8.29683, 5.72008, 3.66672, 0.0, 5.72008, 6.60008, 4.14841, 5.72008, 6.60008, 8.29683, 5.72008, 6.60008, 0.0, 5.72008, 2.20003, 2.07421, 4.25338, 2.20003, 6.22262, 4.25338, 2.20003, 10.37103, 4.25338, 5.13339, 2.07421, 4.25338, 5.13339, 6.22262, 4.25338, 5.13339, 10.37103, 4.25338, 8.06677, 2.07421, 4.25338, 8.06677, 6.22262, 4.25338, 8.06677, 10.37103, 4.25338, 0.73334, 4.14841, 2.78671, 0.73334, 8.29683, 2.78671, 0.73334, 0.0, 2.78671, 3.66672, 4.14841, 2.78671, 3.66672, 8.29683, 2.78671, 3.66672, 0.0, 2.78671, 6.60008, 4.14841, 2.78671, 6.60008, 8.29683, 2.78671, 6.60008, 0.0, 2.78671, 2.20003, 2.07421, 1.32001, 2.20003, 6.22262, 1.32001, 2.20003, 10.37103, 1.32001, 5.13339, 2.07421, 1.32001, 5.13339, 6.22262, 1.32001, 5.13339, 10.37103, 1.32001, 8.06677, 2.07421, 1.32001, 8.06677, 6.22262, 1.32001, 8.06677, 10.37103, 1.32001, 0.73334, 0.0, 13.63995]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005509735871437327, 0.003828011169541091, 0.0014335810235784963, -0.0, -0.0, -0.0]]},
 "unique_id": "9732f16e32c65e2ef3d89ff8b571e244",
 "user": "hecc"},
"ids": [1],
"nextid": 2}