{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [8.973515181, -0.0, 0.0, 0.0, 14.963395922, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325508045849933, "energy": -81.78797184, "forces": {"__ndarray__": [[22, 3], "float64", [-0.0, -0.000756, -0.0, -0.0, -0.000756, 0.0, -0.0, 0.000756, -0.0, -0.0, 0.000756, 0.0, 0.005857, -0.0, -0.0, -0.005857, -0.0, 0.0, -0.005857, -0.0, 0.0, 0.005857, -0.0, -0.0, -0.0, -0.0, 0.0, -0.0, -0.0, 0.0, -0.0, -0.006319, -0.0, -0.0, -0.006319, 0.0, -0.0, 0.006319, 0.0, -0.0, 0.006319, -0.0, 0.001906, 0.005682, 0.0, -0.001906, 0.005682, -0.0, -0.001906, -0.005682, 0.0, 0.001906, -0.005682, 0.0, -0.001906, -0.005682, -0.0, 0.001906, -0.005682, 0.0, 0.001906, 0.005682, 0.0, -0.001906, 0.005682, -0.0]]}, "free_energy": -81.86469718, "key_value_pairs": {"E": 0.28994228000000016, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365}, "mtime": 24.982357485178653, "numbers": {"__ndarray__": [[22], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[22, 3], "float64", [4.48676, 11.24498, 10.0, 0.0, 3.76329, 10.0, 0.0, 11.20011, 10.0, 4.48676, 3.71841, 10.0, 6.52601, -0.0, 10.0, 6.93426, 7.4817, 10.0, 2.44751, -0.0, 10.0, 2.03925, 7.4817, 10.0, 4.48676, 7.4817, 10.0, 0.0, 0.0, 10.0, 4.48676, 13.58923, 10.0, 0.0, 6.10754, 10.0, 0.0, 8.85586, 10.0, 4.48676, 1.37416, 10.0, 2.57377, 5.0873, 10.0, 1.91299, 12.569, 10.0, 1.91299, 2.3944, 10.0, 2.57377, 9.8761, 10.0, 6.39975, 9.8761, 10.0, 7.06053, 2.3944, 10.0, 7.06053, 12.569, 10.0, 6.39975, 5.0873, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-4.650548449695616e-05, 4.509490343450654e-05, 0.0005095131144732281, -0.0, -0.0, -0.0]]}, "unique_id": "5d101d8ed96d1a4a56f79c694272791a", "user": "yangxb"}, "ids": [1], "nextid": 2}