{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.713081, 0.0, 0.0, 0.0, 7.713081, 0.0, 0.0, 0.0, 29.087848]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53]}}],
 "ctime": 23.771454837303047,
 "energy": -190.58318421,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.002032, -0.001331, 0.004142, -0.000918, -0.000405, 0.003665, -0.002257, 0.001598, 0.002312, -0.0, -1.7e-05, 0.001799, 0.0, -0.000655, 0.00047, 1e-06, 0.000509, -0.002916, 0.002031, -0.00133, 0.004141, 0.000919, -0.000405, 0.003665, 0.002255, 0.0016, 0.002311, 0.004432, -0.003772, -0.001355, 0.004316, 0.001615, -0.000427, 0.005511, 0.002055, -0.001589, -0.004431, -0.003769, -0.001356, -0.004316, 0.001617, -0.000429, -0.005512, 0.002054, -0.001591, 1e-06, -0.002692, 0.001001, 0.0, 0.000573, 0.002145, -0.0, 0.001929, -7e-05, -0.00083, -0.002843, 0.000164, -4.9e-05, 0.00087, -0.000101, -0.002047, 0.001729, 0.000483, 1e-06, -0.000805, 0.000395, -1e-06, -0.000267, 0.001575, -1e-06, 0.000857, -0.004913, 0.000829, -0.002845, 0.000163, 4.8e-05, 0.000871, -0.000102, 0.002047, 0.00173, 0.000482, 0.001191, -0.000224, -0.003053, 0.001415, 0.001693, -0.003226, 0.001859, -0.001658, -0.003582, -0.001192, -0.000224, -0.003054, -0.001415, 0.001695, -0.003226, -0.001857, -0.001656, -0.003582, 1e-06, 0.000225, -0.003275, -1e-06, 0.000983, 0.001127, 0.0, -0.001416, -0.002737, -0.001183, -0.002664, -0.174866, -0.000325, 0.000657, -0.174642, -0.001513, 0.001837, -0.174513, 2e-06, -0.001479, -0.174286, -0.0, 0.000326, -0.174411, -0.0, 0.000981, -0.174449, 0.001182, -0.002663, -0.174867, 0.000323, 0.000658, -0.174643, 0.001513, 0.001836, -0.174514, 0.001182, -0.000193, 0.174355, 0.001873, 0.00165, 0.174986, 0.001842, -0.001633, 0.174792, -0.00118, -0.000192, 0.174354, -0.001875, 0.001649, 0.174986, -0.001843, -0.001632, 0.174791, 1e-06, -0.000219, 0.174951, 0.0, 0.000984, 0.174735, -0.0, -0.000934, 0.174547, 1e-06, 0.003143, 0.009239]]},
 "free_energy": -190.59316217,
 "key_value_pairs": {"str_E": -190.58318, "slab_E": -190.59214, "atom_E": -0.0125517, "ads_E": 0.021511700000001854, "distance": 3.49853, "Dipole_val": -0.0139613, "plane_index": 100, "ads_site": "1f"},
 "magmom": 2e-05,
 "mtime": 25.14943627139513,
 "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, 10]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [1.28571, 1.28532, 10.34549, 1.28571, 3.85674, 10.34549, 1.28548, 6.42756, 10.34624, 3.85654, 1.28555, 10.34624, 3.85654, 3.85651, 10.34624, 3.85654, 6.42756, 10.34715, 6.42737, 1.28532, 10.34549, 6.42737, 3.85674, 10.34549, 6.4276, 6.42756, 10.34624, 2.57061, 0.00041, 8.57833, 2.57074, 2.57102, 8.57771, 2.57061, 5.14165, 8.57833, 5.14247, 0.00041, 8.57833, 5.14234, 2.57102, 8.57771, 5.14247, 5.14165, 8.57833, 0.0, 0.00029, 8.57771, 0.0, 2.57102, 8.57724, 0.0, 5.14177, 8.57771, 1.28538, 1.28565, 6.74637, 1.28538, 3.8564, 6.74637, 1.28559, 6.42756, 6.74695, 3.85654, 1.28544, 6.74695, 3.85654, 3.85661, 6.74695, 3.85654, 6.42756, 6.74831, 6.4277, 1.28565, 6.74637, 6.4277, 3.8564, 6.74637, 6.42749, 6.42756, 6.74695, 2.57114, 7.71296, 4.91943, 2.57117, 2.57102, 4.91917, 2.57114, 5.14217, 4.91943, 5.14194, 7.71296, 4.91943, 5.14191, 2.57102, 4.91917, 5.14194, 5.14217, 4.91943, 0.0, 7.71294, 4.91917, 0.0, 2.57102, 4.91833, 0.0, 5.1422, 4.91917, 1.28552, 1.28552, 3.09058, 1.28552, 3.85654, 3.09058, 1.28552, 6.42756, 3.09058, 3.85654, 1.28552, 3.09058, 3.85654, 3.85654, 3.09058, 3.85654, 6.42756, 3.09058, 6.42756, 1.28552, 3.09058, 6.42756, 3.85654, 3.09058, 6.42756, 6.42756, 3.09058, 2.57102, 0.0, 1.27259, 2.57102, 2.57102, 1.27259, 2.57102, 5.14206, 1.27259, 5.14206, 0.0, 1.27259, 5.14206, 2.57102, 1.27259, 5.14206, 5.14206, 1.27259, 0.0, 0.0, 1.27259, 0.0, 2.57102, 1.27259, 0.0, 5.14206, 1.27259, 0.0, 2.57102, 13.84567]]},
 "stress": {"__ndarray__": [[6], "float64", [0.009484266467708528, 0.009484796995984228, 0.0023767729166454706, -4.2442262056006164e-07, 0.0, -0.0]]},
 "unique_id": "a66e8fe4e80cd117403d599366fe23cb",
 "user": "hecc"},
"ids": [1],
"nextid": 2}