{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [8.890732111, -0.0, 0.0, 0.0, 8.089602448, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506183973395, "energy": -43.75355536, "forces": {"__ndarray__": [[12, 3], "float64", [-0.0, -0.006289, 0.0, 0.0, 0.006289, 0.0, 0.0, 0.00668, 0.0, -0.0, -0.00668, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, 0.003327, 0.000133, 0.0, 0.003327, -0.000133, 0.0, -0.003327, 0.000133, -0.0, -0.003327, -0.000133, 0.0, -0.0, -0.001413, 0.0, 0.0, 0.001413, 0.0]]}, "free_energy": -43.80100736, "key_value_pairs": {"E": 0.29399905333333337, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.880413053479497, "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", [6.66805, 2.95636, 10.0, 2.22268, 5.13324, 10.0, 2.22268, 0.15602, 10.0, 6.66805, 7.93359, 10.0, 0.0, 4.0448, 10.00004, 4.44537, 4.0448, 9.99996, 4.08524, 6.7672, 10.00004, 8.5306, 1.3224, 9.99996, 0.36013, 6.7672, 9.99996, 4.8055, 1.3224, 10.00004, 6.66805, 5.58968, 10.0, 2.22268, 2.49993, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [5.068729561129795e-05, 9.948965546657913e-06, 0.0005495648785340209, -0.0, -0.0, 0.0]]}, "unique_id": "cfffed9ddb3b8d73cd13a27ae2977441", "user": "yangxb"}, "ids": [1], "nextid": 2}