{"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": 23.771455032380253,
 "energy": -197.7078817,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, -0.0, 0.282645, -0.015352, -0.019435, 0.044565, 0.009155, 0.023013, 0.044565, -0.024507, -0.003578, 0.044565, 0.0, -0.0, -0.020141, -0.009155, 0.023013, 0.044565, 0.024507, -0.003578, 0.044565, 0.015352, -0.019435, 0.044565, 0.0, -0.0, -0.003595, 0.009396, 0.005425, -0.014192, 0.0, -0.010849, -0.014192, 0.007608, -0.004393, 0.002329, -0.009396, 0.005425, -0.014192, 0.005062, 0.002923, -0.009836, 0.0, -0.005845, -0.009836, -0.0, 0.008785, 0.002329, -0.005062, 0.002923, -0.009836, -0.007608, -0.004393, 0.002329, -0.003523, -0.002034, 0.002323, -0.005475, 0.003161, 5.9e-05, -0.0, 0.004068, 0.002323, 0.0, -0.006322, 5.9e-05, 0.005475, 0.003161, 5.9e-05, 0.00598, -0.003453, -0.009045, 0.003523, -0.002034, 0.002323, -0.0, 0.006905, -0.009045, -0.00598, -0.003453, -0.009045, 0.0, -0.0, 0.019436, 0.000906, 0.002091, 0.00069, -0.001358, -0.00183, 0.00069, 0.002264, -0.000261, 0.00069, 0.0, 0.0, -0.011427, 0.001358, -0.00183, 0.00069, -0.002264, -0.000261, 0.00069, -0.000906, 0.002091, 0.00069, 0.0, -0.0, -0.001661, 0.002044, 0.00118, -0.06131, 0.0, -0.002361, -0.06131, 0.002463, -0.001422, -0.085624, -0.002044, 0.00118, -0.06131, -0.0004, -0.000231, -0.05652, -0.0, 0.000461, -0.05652, -0.0, 0.002844, -0.085624, 0.0004, -0.000231, -0.05652, -0.002463, -0.001422, -0.085624, -0.001025, -0.000592, 0.067691, 0.002316, -0.001337, 0.065703, -0.0, 0.001183, 0.067691, -0.0, 0.002675, 0.065703, -0.002316, -0.001337, 0.065703, -0.001913, 0.001104, 0.079044, 0.001025, -0.000592, 0.067691, 0.0, -0.002209, 0.079044, 0.001913, 0.001104, 0.079044, 0.0, -0.0, -0.478653]]},
 "free_energy": -197.9049341,
 "key_value_pairs": {"str_E": -197.70788, "slab_E": -192.84492, "atom_E": -3.123956, "ads_E": -1.7390039999999867, "distance": 1.58127, "Dipole_val": 1.4739, "plane_index": 111, "ads_site": "0t"},
 "magmom": 0.0047911,
 "mtime": 25.033345274706278,
 "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, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [3.85654, 2.22657, 11.82199, 5.14097, 4.45912, 11.97532, 6.42185, 6.67767, 11.97532, 6.4322, 2.22265, 11.97532, 7.71308, 4.45315, 11.94177, 9.00431, 6.67767, 11.97532, 8.99396, 2.22265, 11.97532, 10.28519, 4.45912, 11.97532, 0.0, 0.0, 11.95281, 2.56604, 1.4815, 9.82113, 3.85654, 3.71672, 9.82113, 5.14613, 5.93518, 9.88833, 5.14704, 1.4815, 9.82113, 6.42057, 3.70692, 9.8781, 7.71308, 5.94562, 9.8781, 7.71308, 1.48909, 9.88833, 9.0056, 3.70692, 9.8781, 10.28003, 5.93518, 9.88833, 1.27847, 0.73813, 7.77119, 2.5646, 2.97247, 7.74935, 3.85654, 5.20347, 7.77119, 3.85654, 0.73477, 7.74935, 5.14848, 2.97247, 7.74935, 6.42761, 5.19532, 7.781, 6.43461, 0.73813, 7.77119, 7.71308, 2.96882, 7.781, 8.99855, 5.19532, 7.781, 3.85654, 2.22657, 5.65869, 5.14255, 4.45643, 5.66368, 6.42497, 6.67765, 5.66368, 6.43066, 2.22536, 5.66368, 7.71308, 4.45315, 5.67052, 9.00119, 6.67765, 5.66368, 8.9955, 2.22536, 5.66368, 10.28361, 4.45643, 5.66368, 0.0, 0.0, 5.65872, 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, 3.85654, 2.22657, 13.55659]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0069843485760093795, 0.0069843485760093795, 0.0015661569189213823, 0.0, 0.0, -0.0]]},
 "unique_id": "166c7365ffaec2f559c307d9d5c9b19d",
 "user": "hecc"},
"ids": [1],
"nextid": 2}