{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.462872549, 0.0, 0.0, 0.0, 11.505219019, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507396709938, "energy": -50.02375792, "forces": {"__ndarray__": [[14, 3], "float64", [-0.000702, -0.009501, 0.0, 0.000702, 0.009501, -0.0, -0.000702, 0.009501, -0.0, 0.000702, -0.009501, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.002275, 0.000136, 0.0, -0.002275, -0.000136, -0.0, 0.002275, -0.000136, 0.0, -0.002275, 0.000136, -0.0, -0.004722, 0.002073, -0.0, 0.004722, -0.002073, 0.0, -0.004722, -0.002073, -0.0, 0.004722, 0.002073, 0.0]]}, "free_energy": -50.09121219, "key_value_pairs": {"E": 0.26101229142857135, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.14369552151114, "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", [3.73212, 2.37475, 10.0, 3.73075, 9.13047, 10.0, 0.00068, 3.37786, 10.0, -0.00068, 8.12736, 10.0, 3.73144, 0.0, 10.0, 0.0, 5.75261, 10.0, 6.07858, 1.41337, 10.0, 1.38429, 10.09185, 10.0, 2.34715, 4.33924, 10.0, 5.11573, 7.16598, 10.0, 1.38569, 1.41364, 10.0, 6.07718, 10.09158, 10.0, 5.11713, 4.33897, 10.0, 2.34575, 7.16625, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [5.86077706920438e-06, 5.142379368815217e-05, 0.0005029470468727989, -0.0, -0.0, 0.0]]}, "unique_id": "8fef6d28482734da8dc28e81dcbf8ba2", "user": "yangxb"}, "ids": [1], "nextid": 2}