{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278257539, -0.0, 0.0, 0.0, 9.279954454, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507650480773, "energy": -50.37864072, "forces": {"__ndarray__": [[14, 3], "float64", [-0.001341, 0.004067, 0.0, 0.001341, -0.004067, 0.0, 0.001341, 0.004067, 0.0, -0.001341, -0.004067, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.001416, -0.004825, -0.0, 0.001416, 0.004825, 0.0, 0.001416, -0.004825, -0.0, -0.001416, 0.004825, 0.0, -0.006348, -0.005205, -0.0, 0.006348, 0.005205, 0.0, 0.006348, -0.005205, 0.0, -0.006348, 0.005205, -0.0]]}, "free_energy": -50.42896918, "key_value_pairs": {"E": 0.23566352, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.14354216008391, "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", [1.73176, 1.732, 10.0, 7.5465, 7.54795, 10.0, 2.90737, 6.37198, 10.0, 6.37089, 2.90798, 10.0, 0.0, -0.0, 10.0, 4.63913, 4.63998, 10.0, 4.12846, 1.87981, 10.0, 5.1498, 7.40014, 10.0, 0.51067, 6.51979, 10.0, 8.76759, 2.76016, 10.0, 2.76438, 8.77089, 10.0, 6.51388, 0.50906, 10.0, 1.87475, 4.13091, 10.0, 7.40351, 5.14904, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.2701471071172429e-05, 2.165179515768902e-05, 0.0005743499112729033, -0.0, -0.0, -0.0]]}, "unique_id": "5fd89e84d25d263241c3c28e56bc2caf", "user": "yangxb"}, "ids": [1], "nextid": 2}