{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.277970103, 0.0, 0.0, 0.0, 9.277970103, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505229652457, "energy": -50.37401229, "forces": {"__ndarray__": [[14, 3], "float64", [-0.004641, 0.004641, 0.0, 0.004641, -0.004641, 0.0, 0.004641, 0.004641, 0.0, -0.004641, -0.004641, 0.0, -0.000292, -0.006958, 0.0, 0.000292, 0.006958, 0.0, -0.006958, 0.000292, -0.0, 0.006958, -0.000292, 0.0, -0.000292, 0.006958, -0.0, 0.000292, -0.006958, -0.0, -0.006958, -0.000292, 0.0, 0.006958, 0.000292, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0]]}, "free_energy": -50.42421133, "key_value_pairs": {"E": 0.23599412214285692, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.98237370339542, "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", [6.37078, 7.54617, 10.0, 2.90719, 1.7318, 10.0, 7.54617, 2.90719, 10.0, 1.7318, 6.37078, 10.0, 5.14916, 2.76255, 10.00002, 4.12881, 6.51542, 10.00002, 2.76255, 4.12881, 9.99998, 6.51542, 5.14916, 9.99998, 0.51018, 1.87644, 10.00002, 8.76779, 7.40153, 10.00002, 7.40153, 0.51018, 9.99998, 1.87644, 8.76779, 9.99998, 0.0, 4.63899, 10.0, 4.63899, -0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [9.26864105193664e-06, 9.26864105193664e-06, 0.00047393651245569344, -0.0, 0.0, -0.0]]}, "unique_id": "3ba562ea47aea840eaba6d0fcf393340", "user": "yangxb"}, "ids": [1], "nextid": 2}