{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278593598, -3e-09, 0.0, 3e-09, 9.278593598, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325508072267933, "energy": -50.37353996, "forces": {"__ndarray__": [[14, 3], "float64", [-0.007391, -0.005063, 0.0, 0.007391, 0.005063, 0.0, 0.005063, -0.007391, 0.0, -0.005063, 0.007391, -0.0, 0.003557, 0.001792, -0.0, -0.003557, -0.001792, 0.0, -0.001792, 0.003557, -0.0, 0.001792, -0.003557, -0.0, -0.006601, -0.004376, 0.0, 0.006601, 0.004376, -0.0, 0.004376, -0.006601, 0.0, -0.004376, 0.006601, -0.0, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0]]}, "free_energy": -50.42390104, "key_value_pairs": {"E": 0.23602785999999984, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.98237260913816, "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", [2.90965, 7.54877, 10.0, 6.36895, 1.72982, 10.0, 1.72982, 2.90965, 10.0, 7.54877, 6.36895, 10.0, 6.51561, 4.12718, 10.0, 2.76299, 5.15141, 10.0, 5.15141, 6.51561, 10.0, 4.12718, 2.76299, 10.0, 0.51361, 7.40231, 10.0, 8.76499, 1.87628, 10.0, 1.87628, 0.51361, 10.0, 7.40231, 8.76499, 10.0, 0.0, 4.6393, 10.0, 4.6393, -0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.1752761684038176e-05, -1.1752761684038176e-05, 0.000549876953990315, -0.0, -0.0, -0.0]]}, "unique_id": "757cef37e7362a1c6131116520d328ec", "user": "yangxb"}, "ids": [1], "nextid": 2}