{"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": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}],
 "ctime": 23.77145499833397,
 "energy": -196.32414869,
 "forces": {"__ndarray__": [[55, 3], "float64", [0.0, -0.0, 0.000389, 0.002009, 0.00116, 0.000306, 0.001551, -0.000896, -0.006529, 0.0, -0.002319, 0.000306, -0.0, 0.001791, -0.006529, -0.001551, -0.000896, -0.006529, 0.001412, -0.000815, -0.007739, -0.002009, 0.00116, 0.000306, -0.0, 0.001631, -0.007739, -0.001412, -0.000815, -0.007739, -0.0, -0.0, 0.001169, 0.000637, 0.000322, -0.002783, 4e-05, -0.000712, -0.002783, 0.000597, 0.000391, -0.002783, -0.0, -0.0, -0.002208, -4e-05, -0.000712, -0.002783, -0.000597, 0.000391, -0.002783, -0.000637, 0.000322, -0.002783, -0.0, -0.0, -0.005393, 0.001955, 0.001129, -0.005387, 0.0, -0.002258, -0.005387, -0.001193, 0.000689, -0.006029, -0.001955, 0.001129, -0.005387, -0.000714, -0.000412, -0.00417, -0.0, 0.000824, -0.00417, 0.0, -0.001378, -0.006029, 0.000714, -0.000412, -0.00417, 0.001193, 0.000689, -0.006029, 8.4e-05, 4.9e-05, -0.002928, -0.000773, 0.000447, 0.001432, 0.0, -9.7e-05, -0.002928, 0.0, -0.000893, 0.001432, 0.000773, 0.000447, 0.001432, 0.000499, -0.000288, -0.000867, -8.4e-05, 4.9e-05, -0.002928, -0.0, 0.000576, -0.000867, -0.000499, -0.000288, -0.000867, -0.0, -0.0, -0.091801, 0.011534, 0.005205, -0.064973, 0.00126, -0.012591, -0.064973, 0.010274, 0.007386, -0.064973, -0.0, -0.0, -0.029183, -0.00126, -0.012591, -0.064973, -0.010274, 0.007386, -0.064973, -0.011534, 0.005205, -0.064973, 0.0, -0.0, -0.070707, 0.012042, 0.006953, 0.081125, 0.0, -0.013905, 0.081125, 4.1e-05, -2.4e-05, 0.074791, -0.012042, 0.006953, 0.081125, -0.00664, -0.003834, 0.077417, -0.0, 0.007668, 0.077417, -0.0, 4.8e-05, 0.074791, 0.00664, -0.003834, 0.077417, -4.1e-05, -2.4e-05, 0.074791]]},
 "free_energy": -196.51003566,
 "key_value_pairs": {"str_E": -196.32415, "slab_E": -192.84492, "atom_E": -0.29474202, "ads_E": -3.184487980000001, "distance": 1.82049, "Dipole_val": -1.00619, "plane_index": 111, "ads_site": "3h"},
 "magmom": 1e-07,
 "mtime": 24.982451482296042,
 "numbers": {"__ndarray__": [[55], "int32", [13, 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]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [2.57102, 1.48438, 13.808, 3.89504, 2.2488, 11.92986, 5.14173, 4.45334, 11.95745, 6.42756, 6.63526, 11.92986, 6.42757, 2.2262, 11.95745, 7.71341, 4.45334, 11.95745, 5.13296, 0.00525, 11.98751, 8.96009, 2.2488, 11.92986, 2.57103, 4.44265, 11.98751, 0.0091, 0.00525, 11.98751, 2.57102, 1.48438, 9.83941, 3.85287, 3.71548, 9.86308, 5.13631, 5.93845, 9.86308, 5.14413, 1.47895, 9.86308, 6.42757, 3.71096, 9.87329, 7.71883, 5.93845, 9.86308, 7.71101, 1.47895, 9.86308, 9.00227, 3.71548, 9.86308, 10.28411, 5.93753, 9.90054, 1.28287, 0.74066, 7.7622, 2.57102, 2.97182, 7.7622, 3.85246, 5.1977, 7.77709, 3.85918, 0.74066, 7.7622, 5.14041, 2.96782, 7.7737, 6.42756, 5.19724, 7.7737, 6.42757, 0.73748, 7.77709, 7.71472, 2.96782, 7.7737, 9.00267, 5.1977, 7.77709, 3.85638, 2.22648, 5.66142, 5.14005, 4.45431, 5.67051, 2.57102, 0.00018, 5.66142, 6.42757, 2.22426, 5.67051, 7.71508, 4.45431, 5.67051, 8.99908, 6.67944, 5.66336, 1.28566, 2.22648, 5.66142, 10.28411, 4.45371, 5.66336, 11.56914, 6.67944, 5.66336, 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]]},
 "stress": {"__ndarray__": [[6], "float64", [0.006700759367365748, 0.006700759367365748, 0.0018247051929519708, -0.0, 0.0, -0.0]]},
 "unique_id": "bfc95baadd8a16f53a96c1e02e750486",
 "user": "hecc"},
"ids": [1],
"nextid": 2}