{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.713081, 0.0, 0.0, 3.85654, 6.679724, 0.0, 0.0, 0.0, 33.587754]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.771454985151486,
 "energy": -192.84576406,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.000695, -0.000401, 0.008813, -0.003047, 0.001759, -0.001883, -0.0, 0.000803, 0.008813, 0.0, -0.003518, -0.001883, 0.003047, 0.001759, -0.001883, -0.002361, 0.001363, 0.000329, 0.000695, -0.000401, 0.008813, 0.0, -0.002726, 0.000329, 0.002361, 0.001363, 0.000329, 0.0, 0.0, 0.008263, -0.000482, -0.004709, 0.000617, 0.003837, 0.002772, 0.000617, -0.004319, 0.001937, 0.000617, -0.0, 0.0, -0.003104, -0.003837, 0.002772, 0.000617, 0.004319, 0.001937, 0.000617, 0.000482, -0.004709, 0.000617, -0.0, 0.0, 0.005429, -0.004661, -0.002691, -4.6e-05, -0.0, 0.005382, -4.6e-05, 0.004301, -0.002483, 0.000676, 0.004661, -0.002691, -4.6e-05, 0.001696, 0.000979, -0.002991, 0.0, -0.001958, -0.002991, -0.0, 0.004967, 0.000676, -0.001696, 0.000979, -0.002991, -0.004301, -0.002483, 0.000676, 0.000265, 0.000153, 0.001479, 0.001502, -0.000867, 0.000804, 0.0, -0.000306, 0.001479, -0.0, 0.001735, 0.000804, -0.001502, -0.000867, 0.000804, -0.001276, 0.000737, -0.002088, -0.000265, 0.000153, 0.001479, 0.0, -0.001474, -0.002088, 0.001276, 0.000737, -0.002088, 0.0, 0.0, -0.070265, 0.000513, 0.001246, -0.069022, -0.000823, -0.001067, -0.069022, 0.001336, -0.000179, -0.069022, -0.0, 0.0, -0.067975, 0.000823, -0.001067, -0.069022, -0.001336, -0.000179, -0.069022, -0.000513, 0.001246, -0.069022, -0.0, 0.0, -0.068803, 0.000263, 0.000152, 0.064396, 0.0, -0.000304, 0.064396, -0.000464, 0.000268, 0.06484, -0.000263, 0.000152, 0.064396, -0.000688, -0.000397, 0.065397, -0.0, 0.000794, 0.065397, 0.0, -0.000536, 0.06484, 0.000688, -0.000397, 0.065397, 0.000464, 0.000268, 0.06484, -0.0, 0.0, 0.007708]]},
 "free_energy": -193.07610489,
 "key_value_pairs": {"str_E": -192.84576, "slab_E": -192.84492, "atom_E": 0.0017485894, "ads_E": -0.0025885894000108323, "distance": 3.74076, "Dipole_val": -0.0177989, "plane_index": 111, "ads_site": "3h"},
 "magmom": -1.1e-06,
 "mtime": 25.149410839676033,
 "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, 2]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [3.85668, 2.22665, 11.93558, 5.14246, 4.45291, 11.94067, 6.42756, 6.67956, 11.93558, 6.42757, 2.22705, 11.94067, 7.71267, 4.45291, 11.94067, 8.99899, 6.6795, 11.93934, 8.99845, 2.22665, 11.93558, 10.28411, 4.45361, 11.93934, 11.56923, 6.6795, 11.93934, 2.57102, 1.48438, 9.85653, 3.85659, 3.71212, 9.85893, 5.14108, 5.93691, 9.85893, 5.14308, 1.48385, 9.85893, 6.42757, 3.71096, 9.8608, 7.71406, 5.93691, 9.85893, 7.71205, 1.48385, 9.85893, 8.99854, 3.71212, 9.85893, 10.28411, 5.93753, 9.85821, 1.28592, 0.74243, 7.76498, 2.57102, 2.96829, 7.76498, 3.85599, 5.19566, 7.76488, 3.85613, 0.74243, 7.76498, 5.14182, 2.96863, 7.76641, 6.42756, 5.19561, 7.76641, 6.42757, 0.74156, 7.76488, 7.71331, 2.96863, 7.76641, 8.99915, 5.19566, 7.76488, 3.85664, 2.22663, 5.66097, 5.14209, 4.45313, 5.66159, 6.42756, 6.6796, 5.66097, 6.42757, 2.22662, 5.66159, 7.71304, 4.45313, 5.66159, 5.14206, 0.0, 5.66127, 8.99849, 2.22663, 5.66097, 2.57103, 4.45315, 5.66127, 0.0, 0.0, 5.66127, 2.57102, 1.48438, 3.5687, 3.85654, 3.71096, 3.5687, 5.14205, 5.93753, 3.5687, 5.14206, 1.48438, 3.5687, 6.42757, 3.71096, 3.5687, 7.71308, 5.93753, 3.5687, 7.71308, 1.48438, 3.5687, 8.9986, 3.71096, 3.5687, 10.28411, 5.93753, 3.5687, 1.28551, 0.74219, 1.46946, 2.57102, 2.96876, 1.46946, 3.85654, 5.19534, 1.46946, 3.85654, 0.74219, 1.46946, 5.14205, 2.96876, 1.46946, 6.42756, 5.19534, 1.46946, 6.42757, 0.74219, 1.46946, 7.71308, 2.96876, 1.46946, 8.9986, 5.19534, 1.46946, 2.57102, 1.48438, 15.68143]]},
 "stress": {"__ndarray__": [[6], "float64", [0.007435559753737732, 0.007435559753737732, 0.0014096947681537409, -0.0, 0.0, -0.0]]},
 "unique_id": "bfa8baafa2b6a38a4d247bffa5099f45",
 "user": "hecc"},
"ids": [1],
"nextid": 2}