{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.661537309, -0.0, 0.0, -0.0, 9.315072717, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550682912187, "energy": -44.35770376, "forces": {"__ndarray__": [[12, 3], "float64", [-0.003338, 0.008906, 0.0, 0.003338, -0.008906, -0.0, 0.003338, 0.008906, -0.0, -0.003338, -0.008906, 0.0, -0.005903, -0.005861, 0.0, 0.005903, 0.005861, -0.0, 0.005903, -0.005861, -0.0, -0.005903, 0.005861, 0.0, -0.021804, 0.007113, 0.0, 0.021804, -0.007113, 0.0, 0.021804, 0.007113, -0.0, -0.021804, -0.007113, -0.0]]}, "free_energy": -44.4043224, "key_value_pairs": {"E": 0.24365335333333338, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.88255358526591, "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", [2.84997, 7.70179, 10.0, 4.81156, 1.61328, 10.0, 0.9808, 3.04424, 10.0, 6.68074, 6.27082, 10.0, 2.43718, 0.82332, 10.0, 5.22435, 8.49176, 10.0, 1.39359, 5.48085, 10.0, 6.26795, 3.83422, 10.0, 0.51104, 8.09466, 10.0, 7.1505, 1.22041, 10.0, 3.31973, 3.43712, 10.0, 4.34181, 5.87795, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.3566836079000165e-05, 8.622644857407721e-05, 0.0006530366168229136, -0.0, -0.0, -0.0]]}, "unique_id": "9fdc0d260d66418b47ab66be02a683f0", "user": "yangxb"}, "ids": [1], "nextid": 2}