{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278886594, 0.0, 0.0, 0.0, 9.278886594, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.3255052197195, "energy": -50.37278365, "forces": {"__ndarray__": [[14, 3], "float64", [0.001988, -0.001988, 0.0, -0.001988, 0.001988, -0.0, 0.001988, 0.001988, 0.0, -0.001988, -0.001988, -0.0, -0.002885, 0.002685, 0.0, 0.002885, -0.002685, -0.0, -0.002685, -0.002885, -0.0, 0.002685, 0.002885, -0.0, -0.002885, -0.002685, 0.0, 0.002885, 0.002685, -0.0, -0.002685, 0.002885, 0.0, 0.002685, -0.002885, -0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0]]}, "free_energy": -50.42314603, "key_value_pairs": {"E": 0.23608188214285697, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.982344016625838, "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", [1.73076, 2.90868, 10.0, 7.54813, 6.3702, 10.0, 6.3702, 1.73076, 10.0, 2.90868, 7.54813, 10.0, 6.5166, 4.12768, 10.0, 2.76228, 5.15121, 10.0, 5.15121, 6.5166, 10.0, 4.12768, 2.76228, 10.0, 1.87716, 0.51177, 10.0, 7.40173, 8.76712, 10.0, 0.51177, 7.40173, 10.0, 8.76712, 1.87716, 10.0, 4.63944, 0.0, 10.0, -0.0, 4.63944, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.6633621820478885e-05, 1.6633621820478885e-05, 0.0005149120198671171, -0.0, 0.0, -0.0]]}, "unique_id": "6dc54078a3bea0bc8af203dc385371bc", "user": "yangxb"}, "ids": [1], "nextid": 2}