{"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": 23.771455014341587,
 "energy": -197.50492119,
 "forces": {"__ndarray__": [[55, 3], "float64", [0.003454, 0.000227, 0.008061, -0.00052, 0.001718, -0.001062, -0.0, 0.000955, -0.000457, -0.0, 0.002264, -0.000853, 0.00052, 0.001718, -0.001062, -0.000453, 0.00311, -0.001914, -0.003454, 0.000227, 0.008061, -0.0, 0.004931, -0.000496, 0.000453, 0.00311, -0.001914, -0.0, 0.004194, 0.001342, 0.00052, -0.001058, 0.002688, 0.001545, 0.004043, -0.000736, -0.000686, 0.002901, 0.002164, -0.0, 0.002285, -4.2e-05, -0.001545, 0.004043, -0.000736, 0.000686, 0.002901, 0.002164, -0.00052, -0.001058, 0.002688, 0.0, -0.000242, 0.001449, -0.000187, 0.001427, 0.001065, -0.0, 0.003897, 0.003745, 0.000258, 0.002884, 0.003183, 0.000187, 0.001427, 0.001065, 0.000672, 0.002348, 0.000741, -0.0, 0.001969, 2.2e-05, -0.0, 0.000601, 0.000824, -0.000672, 0.002348, 0.000741, -0.000258, 0.002884, 0.003183, -0.000382, 0.001881, 0.00044, -0.001093, 0.000821, -0.002539, -0.0, 0.002243, -0.000841, -0.0, 0.001313, -0.002499, 0.001093, 0.000821, -0.002539, -0.000855, 0.002122, -0.000601, 0.000382, 0.001881, 0.00044, -0.0, 0.000649, -0.001124, 0.000855, 0.002122, -0.000601, 0.0, -0.009411, -0.061404, 0.001168, -0.006074, -0.061284, -0.010229, -0.002616, -0.067498, -0.00689, -0.003716, -0.074411, 0.0, -0.01849, -0.068214, 0.010229, -0.002616, -0.067498, 0.00689, -0.003716, -0.074411, -0.001168, -0.006074, -0.061284, 0.0, -0.016977, -0.074284, 0.001099, 0.006966, 0.063463, 0.0, -0.000376, 0.059632, -0.00544, -0.003753, 0.063794, -0.001099, 0.006966, 0.063463, -0.006638, -0.003052, 0.064258, -0.0, 0.000895, 0.07973, -0.0, 0.000194, 0.066165, 0.006638, -0.003052, 0.064258, 0.00544, -0.003753, 0.063794, 0.0, -0.001251, -0.002315]]},
 "free_energy": -197.72656237,
 "key_value_pairs": {"str_E": -197.50492, "slab_E": -192.84492, "atom_E": -0.424, "ads_E": -4.235999999999996, "distance": 1.40873, "Dipole_val": 0.686784, "plane_index": 111, "ads_site": "1b"},
 "magmom": 0.0,
 "mtime": 24.872793615059905,
 "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, 9]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [3.91667, 2.16538, 11.97401, 5.16499, 4.43959, 11.90578, 6.42756, 6.62718, 11.90519, 6.42757, 2.20263, 11.92572, 7.69015, 4.43959, 11.90578, 8.99558, 6.65105, 11.92604, 8.93846, 2.16538, 11.97401, 10.28411, 4.49659, 11.97693, 3.85956, 6.65105, 11.92604, 2.57102, 1.46855, 9.87207, 3.84815, 3.68204, 9.87246, 5.13856, 5.9145, 9.84044, 5.12442, 1.46951, 9.87149, 6.42757, 3.68181, 9.84062, 7.71658, 5.9145, 9.84044, 7.73072, 1.46951, 9.87149, 9.00699, 3.68204, 9.87246, 10.28411, 5.89266, 9.87184, 1.28638, 0.72471, 7.76229, 2.57102, 2.94923, 7.76411, 3.85528, 5.17411, 7.762, 3.85567, 0.72471, 7.76229, 5.13983, 2.94941, 7.76249, 6.42756, 5.17575, 7.76003, 6.42757, 0.72305, 7.79846, 7.7153, 2.94941, 7.76249, 8.99985, 5.17411, 7.762, 3.85719, 2.2154, 5.661, 5.14257, 4.44271, 5.66032, 6.42756, 6.66832, 5.66018, 6.42757, 2.21147, 5.66515, 7.71256, 4.44271, 5.66032, 9.00263, 6.67101, 5.66493, 1.28485, 2.2154, 5.661, 2.57103, 4.44303, 5.66119, 3.8525, 6.67101, 5.66493, 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, 2.94187, 13.38566]]},
 "stress": {"__ndarray__": [[6], "float64", [0.005573605234322491, 0.005817292475124351, 0.0012204147624022053, -0.00020343574844903893, 0.0, -0.0]]},
 "unique_id": "dc110664075aad75c2cdbce00f369d51",
 "user": "hecc"},
"ids": [1],
"nextid": 2}