{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.585635365, -0.0, 0.0, -0.0, 9.379705832, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506720393395, "energy": -44.32699126, "forces": {"__ndarray__": [[12, 3], "float64", [0.034084, 0.039088, -0.0, -0.034084, -0.039088, 0.0, -0.034084, 0.039088, 0.0, 0.034084, -0.039088, -0.0, -0.034497, 0.049429, -0.0, 0.034497, -0.049429, 0.0, 0.034497, 0.049429, 0.0, -0.034497, -0.049429, -0.0, -0.010143, 0.01387, 0.0, 0.010143, -0.01387, -0.0, 0.010143, 0.01387, -0.0, -0.010143, -0.01387, 0.0]]}, "free_energy": -44.37807009, "key_value_pairs": {"E": 0.24621272833333338, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143515531620523, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [1.03285, 3.05959, 10.0, 6.55278, 6.32011, 10.0, 2.75996, 7.74944, 10.0, 4.82567, 1.63026, 10.0, 3.3533, 3.44688, 10.0, 4.23233, 5.93283, 10.0, 0.43952, 8.13673, 10.0, 7.14612, 1.24298, 10.0, 6.25465, 3.88427, 10.0, 1.33099, 5.49544, 10.0, 5.12381, 8.57412, 10.0, 2.46183, 0.80559, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.494620959582036e-05, -1.8006753828173203e-05, 0.0005501640634101056, -0.0, -0.0, 0.0]]}, "unique_id": "7015b1b0c8bd2a45c2c1ca2d4437456a", "user": "yangxb"}, "ids": [1], "nextid": 2}