{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.504276678, 0.0, 0.0, 0.0, 7.46243068, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505871155013, "energy": -50.02514746, "forces": {"__ndarray__": [[14, 3], "float64", [-0.003263, -0.00096, 0.0, 0.003263, -0.00096, -0.0, 0.003263, -0.00096, -0.0, -0.003263, -0.00096, 0.0, -0.004101, 0.002435, -0.0, 0.004101, 0.002435, -0.0, 0.004101, 0.002435, 0.0, -0.004101, 0.002435, 0.0, 0.008772, -0.002197, -0.0, -0.008772, -0.002197, 0.0, -0.008772, -0.002197, -0.0, 0.008772, -0.002197, -0.0, -0.0, 0.001445, 0.0, 0.0, 0.001445, 0.0]]}, "free_energy": -50.09252581, "key_value_pairs": {"E": 0.2609130385714286, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.085538055072966, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [2.3748, 3.57355, 10.0, 9.12948, 3.57355, 10.0, 3.37734, 7.30476, 10.0, 8.12694, 7.30476, 10.0, 1.41472, 1.22708, 10.0, 10.08956, 1.22708, 10.0, 4.33742, 4.9583, 10.0, 7.16686, 4.9583, 10.0, 7.16303, 2.19092, 10.0, 4.34124, 2.19092, 10.0, 10.09338, 5.92214, 10.0, 1.4109, 5.92214, 10.0, 0.0, 3.57297, 10.0, 5.75214, 7.30419, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.0498218349735641e-05, 8.987773141271891e-07, 0.0006444857493204535, -0.0, -0.0, -0.0]]}, "unique_id": "76e94336bdc0a7aa04b5e624726c7442", "user": "yangxb"}, "ids": [1], "nextid": 2}