{"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": 23.77145500965551,
 "energy": -197.69144445,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.004654, 0.002894, -0.000637, 0.002663, 0.004082, -0.003918, 0.0, -0.002311, 6e-06, 0.0, -0.001311, -0.004969, -0.002663, 0.004082, -0.003918, 0.001248, -0.003257, -0.007414, 0.004654, 0.002894, -0.000637, 0.0, -0.002621, -0.000568, -0.001248, -0.003257, -0.007414, -0.0, 0.000863, 0.003085, 0.003246, -0.000303, 0.001199, -0.000747, -0.000252, -0.003812, 0.003096, 0.000756, -0.001591, 0.0, -0.001058, -0.006927, 0.000747, -0.000252, -0.003812, -0.003096, 0.000756, -0.001591, -0.003246, -0.000303, 0.001199, 0.0, -0.0025, -0.006089, 0.000382, 0.003065, -0.006102, -0.0, 0.003064, -0.006412, 0.000189, 0.001941, -0.004632, -0.000382, 0.003065, -0.006102, 0.004031, -0.002443, -0.004071, 0.0, -0.001977, -0.003286, 0.0, -0.00306, -0.007248, -0.004031, -0.002443, -0.004071, -0.000189, 0.001941, -0.004632, -0.000354, 0.001247, -0.001652, -0.001803, 3.4e-05, 0.002052, -0.0, 0.003274, -0.005358, -0.0, 0.001711, 0.004915, 0.001803, 3.4e-05, 0.002052, -0.002058, 0.000992, -0.00094, 0.000354, 0.001247, -0.001652, 0.0, -0.003353, -0.001213, 0.002058, 0.000992, -0.00094, -0.0, 0.002106, -0.06515, 0.002238, 0.005903, -0.045797, 0.001413, -0.012923, -0.083265, 0.005905, -0.001663, -0.064686, -0.0, 0.006371, -0.047948, -0.001413, -0.012923, -0.083265, -0.005905, -0.001663, -0.064686, -0.002238, 0.005903, -0.045797, -0.0, 0.003005, -0.083961, 0.013048, 0.008954, 0.07292, 0.0, -0.015044, 0.078847, 0.000976, -0.003428, 0.075937, -0.013048, 0.008954, 0.07292, -0.006914, -0.003584, 0.082325, -0.0, 0.004617, 0.072885, 0.0, -0.000187, 0.061964, 0.006914, -0.003584, 0.082325, -0.000976, -0.003428, 0.075937, -0.0, 0.004378, 0.005595]]},
 "free_energy": -197.86717374,
 "key_value_pairs": {"str_E": -197.69144, "slab_E": -192.84492, "atom_E": -0.349, "ads_E": -4.497519999999998, "distance": 0.833751, "Dipole_val": 0.322123, "plane_index": 111, "ads_site": "1b"},
 "magmom": 7.5e-06,
 "mtime": 24.98227315062049,
 "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, 5]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [4.1, 2.23551, 11.87957, 5.17764, 4.51815, 11.96852, 2.57102, 0.21511, 12.14662, 6.42757, 2.21723, 11.95252, 7.67749, 4.51815, 11.96852, 9.0333, 6.62862, 11.96728, 8.75513, 2.23551, 11.87957, 2.57103, 4.2384, 12.13181, 11.53492, 6.62862, 11.96728, 2.57102, 1.51406, 9.84436, 3.86258, 3.72133, 9.86673, 5.16611, 5.96729, 9.91342, 5.16585, 1.4543, 9.81141, 6.42757, 3.70545, 9.88569, 7.68903, 5.96729, 9.91342, 7.68928, 1.4543, 9.81141, 8.99256, 3.72133, 9.86673, 10.28411, 5.89257, 9.91109, 1.29087, 0.73734, 7.76197, 2.57102, 2.9814, 7.75692, 3.86184, 5.20029, 7.79584, 3.85118, 0.73734, 7.76197, 5.14211, 2.97015, 7.76599, 6.42756, 5.19595, 7.79556, 6.42757, 0.72427, 7.74844, 7.71302, 2.97015, 7.76599, 8.99329, 5.20029, 7.79584, 3.856, 2.2267, 5.66201, 5.14138, 4.45563, 5.67275, 6.42756, 6.67543, 5.66476, 6.42757, 2.22629, 5.6637, 7.71376, 4.45563, 5.67275, 8.99584, 6.67478, 5.66147, 1.28604, 2.2267, 5.66201, 10.28411, 4.45969, 5.66839, 3.8593, 6.67478, 5.66147, 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, 2.57103, 2.22834, 12.98037]]},
 "stress": {"__ndarray__": [[6], "float64", [0.003333134393968059, 0.008472605219530614, 0.0017304833711876367, -2.365531958709755e-05, 0.0, -0.0]]},
 "unique_id": "b006fae167afc81e0879b30c4e89da43",
 "user": "hecc"},
"ids": [1],
"nextid": 2}