{"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": 23.77145443111717,
 "energy": -167.62714353,
 "forces": {"__ndarray__": [[55, 3], "float64", [-0.0, -0.0, 0.000101, -0.0, -0.0, 0.005079, -0.0, 0.000221, -0.000991, -0.0, -0.000221, -0.000991, 0.000221, -0.0, -0.000991, 0.001267, 0.001267, -0.000839, 0.001267, -0.001267, -0.000839, -0.000221, -0.0, -0.000991, -0.001267, 0.001267, -0.000839, -0.001267, -0.001267, -0.000839, 0.001487, -0.001487, 0.001199, 0.001487, 0.001487, 0.001199, -0.000904, -0.0, 0.003946, -0.0, 0.000904, 0.003946, -0.0, -0.000904, 0.003946, -0.0, -0.0, -0.002334, -0.001487, -0.001487, 0.001199, -0.001487, 0.001487, 0.001199, 0.000904, -0.0, 0.003946, -0.0, -0.0, -0.00357, -0.0, 0.001429, -0.002811, -0.0, -0.001429, -0.002811, 0.001429, -0.0, -0.002811, -0.000133, -0.000133, -0.00297, -0.000133, 0.000133, -0.00297, -0.001429, -0.0, -0.002811, 0.000133, -0.000133, -0.00297, 0.000133, 0.000133, -0.00297, 6.5e-05, -6.5e-05, -0.001192, 6.5e-05, 6.5e-05, -0.001192, 0.001187, -0.0, 0.001548, -0.0, -0.001187, 0.001548, -0.0, 0.001187, 0.001548, -0.0, -0.0, -0.001702, -6.5e-05, -6.5e-05, -0.001192, -6.5e-05, 6.5e-05, -0.001192, -0.001187, 0.0, 0.001548, -0.0, -0.0, -0.255221, -0.0, -0.012575, -0.266188, 0.0, 0.012575, -0.266188, -0.012575, -0.0, -0.266188, -0.017261, -0.017261, -0.281943, -0.017261, 0.017261, -0.281943, 0.012575, 0.0, -0.266188, 0.017261, -0.017261, -0.281943, 0.017261, 0.017261, -0.281943, -0.000595, 0.000595, 0.271485, -0.000595, -0.000595, 0.271485, 0.001864, -0.0, 0.273879, -0.0, -0.001864, 0.273879, -0.0, 0.001864, 0.273879, -0.0, 0.0, 0.277156, 0.000595, 0.000595, 0.271485, 0.000595, -0.000595, 0.271485, -0.001864, -0.0, 0.273879]]},
 "free_energy": -167.77846617,
 "key_value_pairs": {"str_E": -167.62714, "slab_E": -165.0637, "atom_E": -0.29886761, "ads_E": -2.264572389999986, "distance": 2.18972, "Dipole_val": -5.04721, "plane_index": 100, "ads_site": "0t"},
 "magmom": -9.3e-06,
 "mtime": 25.19492135946171,
 "numbers": {"__ndarray__": [[55], "int32", [3, 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", [1.48256, 1.48256, 13.94793, 1.48256, 1.48256, 11.59235, 1.48256, 4.41909, 11.75821, 1.48256, 7.44138, 11.75821, 4.41909, 1.48256, 11.75821, 4.43857, 4.43857, 11.7463, 4.43857, 7.4219, 11.7463, 7.44138, 1.48256, 11.75821, 7.4219, 4.43857, 11.7463, 7.4219, 7.4219, 11.7463, 2.9864, 8.87407, 9.66962, 2.9864, 2.9864, 9.66962, 2.95747, 5.93024, 9.73459, 5.93024, 0.00765, 9.73459, 5.93024, 2.95747, 9.73459, 5.93024, 5.93024, 9.74037, 8.87407, 8.87407, 9.66962, 8.87407, 2.9864, 9.66962, 0.00765, 5.93024, 9.73459, 1.48256, 1.48256, 7.66464, 1.48256, 4.4614, 7.65492, 1.48256, 7.39907, 7.65492, 4.4614, 1.48256, 7.65492, 4.46019, 4.46019, 7.66056, 4.46019, 7.40028, 7.66056, 7.39907, 1.48256, 7.65492, 7.40028, 4.46019, 7.66056, 7.40028, 7.40028, 7.66056, 2.96502, 0.0001, 5.61268, 2.96502, 2.96502, 5.61268, 2.96754, 5.93024, 5.60392, 5.93024, 8.89293, 5.60392, 5.93024, 2.96754, 5.60392, 5.93024, 5.93024, 5.59805, 0.0001, 0.0001, 5.61268, 0.0001, 2.96502, 5.61268, 8.89293, 5.93024, 5.60392, 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", [0.010975849835593856, 0.010975849835593856, 0.002040311884196482, -0.0, -0.0, -0.0]]},
 "unique_id": "bc2ea24727fdbf807cee6b634327758c",
 "user": "hecc"},
"ids": [1],
"nextid": 2}