{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.661797148, -0.0, 0.0, 0.0, 9.315537941, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507291649572, "energy": -44.33874874, "forces": {"__ndarray__": [[12, 3], "float64", [0.011283, 0.004581, 0.0, -0.011283, -0.004581, -0.0, -0.011283, 0.004581, 0.0, 0.011283, -0.004581, 0.0, -0.006556, 0.003356, -0.0, 0.006556, -0.003356, -0.0, 0.006556, 0.003356, 0.0, -0.006556, -0.003356, 0.0, -0.010124, -0.001316, -0.0, 0.010124, 0.001316, -0.0, 0.010124, -0.001316, -0.0, -0.010124, 0.001316, -0.0]]}, "free_energy": -44.38528208, "key_value_pairs": {"E": 0.24523293833333337, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143537884880406, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [0.9748, 3.05393, 10.0, 6.687, 6.2616, 10.0, 2.8561, 7.7117, 10.0, 4.8057, 1.60384, 10.0, 1.40626, 5.48551, 10.0, 6.25554, 3.83003, 10.0, 2.42464, 0.82774, 10.0, 5.23715, 8.4878, 10.0, 7.15173, 1.22265, 10.0, 0.51006, 8.09289, 10.0, 4.34096, 5.88042, 10.0, 3.32084, 3.43512, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.35616969502093e-05, 3.75426773921878e-05, 0.0006229775088726599, -0.0, -0.0, -0.0]]}, "unique_id": "111014ea3f1203e5ec5ceec5d01de099", "user": "yangxb"}, "ids": [1], "nextid": 2}