{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.659513198, 0.0, 0.0, 0.0, 13.516307888, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550608893055, "energy": -87.96294441, "forces": {"__ndarray__": [[24, 3], "float64", [-0.002204, -0.001979, -0.0, 0.002204, -0.001979, -0.0, -0.002204, -0.001979, -0.0, 0.002204, -0.001979, -0.0, 0.002041, 0.005054, -0.0, -0.002041, 0.005054, -0.0, 0.002041, 0.005054, -0.0, -0.002041, 0.005054, -0.0, -0.003593, -0.00129, -0.0, 0.003593, -0.00129, -0.0, -0.003593, -0.00129, -0.0, 0.003593, -0.00129, 0.0, -0.004306, -0.002947, -0.0, 0.004306, -0.002947, -0.0, -0.004306, -0.002947, -0.0, 0.004306, -0.002947, -0.0, -0.008356, 0.003658, 0.0, 0.008356, 0.003658, -0.0, -0.008356, 0.003658, 0.0, 0.008356, 0.003658, 0.0, -0.00393, -0.002496, 0.0, 0.00393, -0.002496, -0.0, -0.00393, -0.002496, 0.0, 0.00393, -0.002496, 0.0]]}, "free_energy": -88.0659489, "key_value_pairs": {"E": 0.27500598291666645, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.879639249121528, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [0.89151, 7.16436, 10.0, 9.768, 0.40621, 10.0, 6.22127, 7.16436, 10.0, 4.43825, 0.40621, 10.0, 4.43682, 9.86695, 10.0, 6.22269, 3.1088, 10.0, 9.76658, 9.86695, 10.0, 0.89294, 3.1088, 10.0, 5.77025, 11.89343, 10.0, 4.88927, 5.13528, 10.0, 0.44049, 11.89343, 10.0, 10.21902, 5.13528, 10.0, 3.70531, 2.65958, 10.0, 6.9542, 9.41773, 10.0, 9.03507, 2.65958, 10.0, 1.62444, 9.41773, 10.0, 7.59846, 5.13522, 10.0, 3.06106, 11.89337, 10.0, 2.2687, 5.13522, 10.0, 8.39081, 11.89337, 10.0, 1.62691, 0.854, 10.0, 9.0326, 7.61215, 10.0, 6.95667, 0.854, 10.0, 3.70285, 7.61215, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-3.925285089267981e-05, 4.374673746331576e-05, 0.0005898663029598491, -0.0, -0.0, -0.0]]}, "unique_id": "94602d83cc59bb0d82dc8d5560ebed06", "user": "yangxb"}, "ids": [1], "nextid": 2}