{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.331080655, 0.0, 0.0, 0.0, 13.515917302, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505443205888, "energy": -43.98380525, "forces": {"__ndarray__": [[12, 3], "float64", [-0.002882, 0.000804, 0.0, 0.002882, 0.000804, -0.0, 0.000109, 0.003301, 0.0, -0.000109, 0.003301, -0.0, -0.002356, 0.003964, -0.0, 0.002356, 0.003964, -0.0, -0.016153, -0.010308, -0.0, 0.016153, -0.010308, -0.0, 0.010685, 0.008188, -0.0, -0.010685, 0.008188, -0.0, 0.005254, -0.005948, 0.0, -0.005254, -0.005948, -0.0]]}, "free_energy": -44.03199609, "key_value_pairs": {"E": 0.2748115624999998, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.982384640036077, "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", [0.89506, 4.69172, 10.0, 4.43602, 11.4497, 10.0, 4.4373, 1.98662, 10.0, 0.89378, 8.74458, 10.0, 2.27263, 6.71982, 10.0, 3.05845, -0.03814, 10.0, 4.89372, 6.71326, 10.0, 0.43736, 13.47122, 10.0, 3.69984, 4.23842, 10.0, 1.63124, 10.99638, 10.0, 1.61911, 2.43515, 10.0, 3.71197, 9.19311, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-2.680104018654271e-05, -4.073208855551415e-05, 0.0005632774740835865, -0.0, -0.0, -0.0]]}, "unique_id": "8c9447bf1e42dd7e0d0575f7fc4f8739", "user": "yangxb"}, "ids": [1], "nextid": 2}