{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.895353, 0.0, 0.0, 0.0, 8.895353, 0.0, 0.0, 0.0, 33.546478]]},
 "constraints": [{"name": "FixAtoms", "kwargs": {"indices": [37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54]}}],
 "ctime": 23.77145440705129,
 "energy": -165.09460083,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, 0.0, -0.000779, 9.2e-05, 9.2e-05, 0.002185, -0.000765, 0.0, 0.005692, 9.2e-05, -9.2e-05, 0.002185, -0.0, -0.000765, 0.005692, -0.0, 0.0, 0.003359, -0.0, 0.000765, 0.005692, -9.2e-05, 9.2e-05, 0.002185, 0.000765, 0.0, 0.005692, -9.2e-05, -9.2e-05, 0.002185, 0.000448, 0.0, -0.001326, 0.000658, 0.000658, 0.000313, 0.000658, -0.000658, 0.000313, -0.000448, 0.0, -0.001326, -0.000658, 0.000658, 0.000313, -0.000658, -0.000658, 0.000313, -0.0, 0.0, -0.0031, -0.0, 0.000448, -0.001326, -0.0, -0.000448, -0.001326, 0.001133, 0.001133, 0.002388, 9.1e-05, 0.0, 0.004656, 0.001133, -0.001133, 0.002388, -0.0, 9.1e-05, 0.004656, -0.0, 0.0, 0.002695, -0.0, -9.1e-05, 0.004656, -0.001133, 0.001133, 0.002388, -9.1e-05, 0.0, 0.004656, -0.001133, -0.001133, 0.002388, 0.00116, 0.0, -0.00018, 0.000133, 0.000133, 0.002695, 0.000133, -0.000133, 0.002695, -0.00116, 0.0, -0.00018, -0.000133, 0.000133, 0.002695, -0.000133, -0.000133, 0.002695, -0.0, 0.0, 0.001103, -0.0, 0.00116, -0.00018, -0.0, -0.00116, -0.00018, -0.000115, -0.000115, -0.269647, -0.001008, 0.0, -0.268947, -0.000115, 0.000115, -0.269647, -0.0, -0.001008, -0.268947, -0.0, 0.0, -0.270489, -0.0, 0.001008, -0.268947, 0.000115, -0.000115, -0.269647, 0.001008, 0.0, -0.268947, 0.000115, 0.000115, -0.269647, 0.000122, 0.0, 0.262041, 0.000199, 0.000199, 0.261421, 0.000199, -0.000199, 0.261421, -0.000122, 0.0, 0.262041, -0.000199, 0.000199, 0.261421, -0.000199, -0.000199, 0.261421, -0.0, 0.0, 0.262048, -0.0, 0.000122, 0.262041, -0.0, -0.000122, 0.262041]]},
 "free_energy": -165.13361086,
 "key_value_pairs": {"str_E": -165.0946, "slab_E": -165.0637, "atom_E": -0.025496589, "ads_E": -0.005403411000002592, "distance": 3.65114, "Dipole_val": -0.0770543, "plane_index": 100, "ads_site": "2f"},
 "magmom": -5.1e-06,
 "mtime": 24.982340827708125,
 "numbers": {"__ndarray__": [[55], "int32", [18, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[55, 3], "float64", [0.0, 0.0, 15.38076, 1.4843, 1.4843, 11.72684, 1.48334, 4.44768, 11.72853, 1.4843, 7.41106, 11.72684, 4.44768, 1.48334, 11.72853, 4.44768, 4.44768, 11.72962, 4.44768, 7.41202, 11.72853, 7.41106, 1.4843, 11.72684, 7.41202, 4.44768, 11.72853, 7.41106, 7.41106, 11.72684, 2.96547, 0.0, 9.71371, 2.9657, 2.9657, 9.71257, 2.9657, 5.92965, 9.71257, 5.92988, 0.0, 9.71371, 5.92965, 2.9657, 9.71257, 5.92965, 5.92965, 9.71257, 0.0, 0.0, 9.71545, 0.0, 2.96547, 9.71371, 0.0, 5.92988, 9.71371, 1.48216, 1.48216, 7.6624, 1.48233, 4.44768, 7.66149, 1.48216, 7.41319, 7.6624, 4.44768, 1.48233, 7.66149, 4.44768, 4.44768, 7.661, 4.44768, 7.41302, 7.66149, 7.41319, 1.48216, 7.6624, 7.41302, 4.44768, 7.66149, 7.41319, 7.41319, 7.6624, 2.96478, 0.0, 5.61026, 2.96498, 2.96498, 5.60965, 2.96498, 5.93037, 5.60965, 5.93058, 0.0, 5.61026, 5.93037, 2.96498, 5.60965, 5.93037, 5.93037, 5.60965, 0.0, 0.0, 5.61001, 0.0, 2.96478, 5.61026, 0.0, 5.93058, 5.61026, 1.48256, 1.48256, 3.56431, 1.48256, 4.44768, 3.56431, 1.48256, 7.41279, 3.56431, 4.44768, 1.48256, 3.56431, 4.44768, 4.44768, 3.56431, 4.44768, 7.41279, 3.56431, 7.41279, 1.48256, 3.56431, 7.41279, 4.44768, 3.56431, 7.41279, 7.41279, 3.56431, 2.96511, 0.0, 1.46766, 2.96511, 2.96511, 1.46766, 2.96511, 5.93024, 1.46766, 5.93024, 0.0, 1.46766, 5.93024, 2.96511, 1.46766, 5.93024, 5.93024, 1.46766, 0.0, 0.0, 1.46766, 0.0, 2.96511, 1.46766, 0.0, 5.93024, 1.46766]]},
 "stress": {"__ndarray__": [[6], "float64", [0.01125602493874563, 0.01125602493874563, 0.0017596873923876445, -0.0, -0.0, -0.0]]},
 "unique_id": "8c40b3efa9d0e5d21dd7010b8841aa4a",
 "user": "hecc"},
"ids": [1],
"nextid": 2}