{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.33266452, 0.0, 0.0, 0.0, 13.546771043, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506826348633, "energy": -43.72620689, "forces": {"__ndarray__": [[12, 3], "float64", [-0.149382, 0.048328, -0.0, 0.149382, -0.048328, -0.0, 0.149382, 0.048328, 0.0, -0.149382, -0.048328, 0.0, 0.057308, -0.044921, 0.0, -0.057308, 0.044921, -0.0, -0.057308, -0.044921, -0.0, 0.057308, 0.044921, -0.0, 0.119915, -0.1066, 0.0, -0.119915, 0.1066, 0.0, -0.119915, -0.1066, -0.0, 0.119915, 0.1066, -0.0]]}, "free_energy": -43.78058146, "key_value_pairs": {"E": 0.2962780925, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143536767927607, "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", [0.83997, 12.26595, 10.0, 4.49269, 1.28083, 10.0, 1.82636, 5.49256, 10.0, 3.5063, 8.05421, 10.0, 4.77834, 10.05642, 10.0, 0.55433, 3.49035, 10.0, 3.22066, 3.28304, 10.0, 2.112, 10.26373, 10.0, 1.62656, 0.95233, 10.0, 3.70611, 12.59444, 10.0, 1.03978, 7.72572, 10.0, 4.29289, 5.82105, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-9.113851625614735e-05, 6.585416278719426e-05, 0.0006131096829446384, -0.0, -0.0, -0.0]]}, "unique_id": "a42047779fd69bd45b36933d01dcef2c", "user": "yangxb"}, "ids": [1], "nextid": 2}