{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.280264382, 0.0, 0.0, -0.0, 9.279304043, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507711822304, "energy": -50.36059842, "forces": {"__ndarray__": [[14, 3], "float64", [-0.006937, 0.002291, 0.0, 0.006937, -0.002291, 0.0, -0.006937, -0.002291, -0.0, 0.006937, 0.002291, -0.0, 0.002611, -0.003783, -0.0, -0.002611, 0.003783, 0.0, 0.002611, 0.003783, 0.0, -0.002611, -0.003783, -0.0, 0.006171, -0.00527, -0.0, -0.006171, 0.00527, 0.0, 0.006171, 0.00527, 0.0, -0.006171, -0.00527, -0.0, -0.0, 0.0, 0.0, -0.0, -0.0, 0.0]]}, "free_energy": -50.4108644, "key_value_pairs": {"E": 0.23695225571428555, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143475261249726, "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", [1.73372, 1.73088, 10.0, 7.54655, 7.54842, 10.0, 6.37385, 2.90877, 10.0, 2.90642, 6.37054, 10.0, 7.40083, 5.15153, 10.0, 1.87944, 4.12778, 10.0, 2.76069, 8.76743, 10.0, 6.51957, 0.51187, 10.0, 5.14847, 7.40423, 10.0, 4.13179, 1.87508, 10.0, 0.50834, 6.51473, 10.0, 8.77193, 2.76458, 10.0, 4.64013, 4.63965, 10.0, 0.0, -0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.655027744117236e-05, 1.9979070711952308e-05, 0.0005069665787498677, -0.0, -0.0, -0.0]]}, "unique_id": "e9e83804a95f51448866a09344bc8402", "user": "yangxb"}, "ids": [1], "nextid": 2}