{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.664355345, 0.0, 0.0, 0.0, 13.515044643, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505557270265, "energy": -87.9603334, "forces": {"__ndarray__": [[24, 3], "float64", [-0.007599, -0.002825, 0.0, 0.007599, -0.002825, -0.0, -0.007599, -0.002825, 0.0, 0.007599, -0.002825, -0.0, -0.000171, -0.002293, 0.0, 0.000171, -0.002293, -0.0, -0.000171, -0.002293, -0.0, 0.000171, -0.002293, 0.0, -0.000638, 0.001083, 0.0, 0.000638, 0.001083, -0.0, -0.000638, 0.001083, 0.0, 0.000638, 0.001083, 0.0, -0.007171, 0.005691, -0.0, 0.007171, 0.005691, 0.0, -0.007171, 0.005691, 0.0, 0.007171, 0.005691, -0.0, 0.004092, -0.000829, 0.0, -0.004092, -0.000829, 0.0, 0.004092, -0.000829, 0.0, -0.004092, -0.000829, 0.0, 0.009809, -0.000827, -0.0, -0.009809, -0.000827, 0.0, 0.009809, -0.000827, 0.0, -0.009809, -0.000827, -0.0]]}, "free_energy": -88.0631684, "key_value_pairs": {"E": 0.2751147750000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143549515467434, "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", [4.44239, 9.03023, 10.0, 6.22197, 2.27271, 10.0, 9.77456, 9.03023, 10.0, 0.88979, 2.27271, 10.0, 4.43893, 13.08518, 10.0, 6.22543, 6.32766, 10.0, 9.77111, 13.08518, 10.0, 0.89325, 6.32766, 10.0, 10.22358, 4.30749, 10.0, 0.44078, 11.06501, 10.0, 4.8914, 4.30749, 10.0, 5.77296, 11.06501, 10.0, 8.39466, 11.05338, 10.0, 2.26969, 4.29585, 10.0, 3.06248, 11.05338, 10.0, 7.60187, 4.29585, 10.0, 1.61881, 8.58416, 10.0, 9.04555, 1.82663, 10.0, 6.95098, 8.58416, 10.0, 3.71337, 1.82663, 10.0, 3.69756, 6.77913, 10.0, 6.9668, 0.0216, 10.0, 9.02974, 6.77913, 10.0, 1.63462, 0.0216, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.354480441061745e-05, 5.639203495235523e-05, 0.0005192498687096059, -0.0, -0.0, -0.0]]}, "unique_id": "d593bb31266c79694493a63c41e3dfe0", "user": "yangxb"}, "ids": [1], "nextid": 2}