{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278123978, -0.0, 0.0, -0.0, 9.278191958, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507754083382, "energy": -50.37271968, "forces": {"__ndarray__": [[14, 3], "float64", [-0.001399, 0.002678, -0.0, 0.001399, -0.002678, 0.0, 0.001399, 0.002678, 0.0, -0.001399, -0.002678, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.006584, 0.002916, -0.0, -0.006584, -0.002916, -0.0, -0.006584, 0.002916, 0.0, 0.006584, -0.002916, 0.0, 0.004933, -0.003351, -0.0, -0.004933, 0.003351, 0.0, -0.004933, -0.003351, -0.0, 0.004933, 0.003351, -0.0]]}, "free_energy": -50.42304683, "key_value_pairs": {"E": 0.2360864514285712, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.14362471906254, "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", [6.36966, 2.90776, 10.0, 2.90847, 6.37043, 10.0, 7.54753, 7.54686, 10.0, 1.7306, 1.73133, 10.0, 4.63906, 4.6391, 10.0, 0.0, 0.0, 10.0, 1.87438, 4.12861, 10.0, 7.40375, 5.14958, 10.0, 2.76468, 8.76771, 10.0, 6.51344, 0.51049, 10.0, 4.12647, 1.87886, 10.0, 5.15165, 7.39934, 10.0, 0.51259, 6.51795, 10.0, 8.76553, 2.76024, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-3.0446081516058534e-05, -1.5291697358413985e-05, 0.000522183377998771, -0.0, -0.0, 0.0]]}, "unique_id": "74dde3009b440f981d314c77f456e4a4", "user": "yangxb"}, "ids": [1], "nextid": 2}