{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.497528185, 0.0, 0.0, 0.0, 7.46798498, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507472469358, "energy": -50.03094909, "forces": {"__ndarray__": [[14, 3], "float64", [-0.00188, 0.002402, -0.0, 0.00188, -0.002402, 0.0, -0.00188, -0.002402, 0.0, 0.00188, 0.002402, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.005301, 0.001481, 0.0, -0.005301, -0.001481, 0.0, 0.005301, -0.001481, -0.0, -0.005301, 0.001481, -0.0, -0.003192, 0.006645, 0.0, 0.003192, -0.006645, -0.0, -0.003192, -0.006645, -0.0, 0.003192, 0.006645, 0.0]]}, "free_energy": -50.09855403, "key_value_pairs": {"E": 0.2604986364285714, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143702473955873, "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", [3.37457, 0.00366, 10.0, 8.12295, -0.00366, 10.0, 9.12334, 3.73034, 10.0, 2.37419, 3.73765, 10.0, 5.74876, 0.0, 10.0, 0.0, 3.73399, 10.0, 7.1572, 5.11492, 10.0, 4.34033, 2.35307, 10.0, 1.40844, 6.08706, 10.0, 10.08909, 1.38093, 10.0, 7.16659, 2.3429, 10.0, 4.33094, 5.12508, 10.0, 1.41782, 1.39109, 10.0, 10.0797, 6.07689, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [5.867018578330263e-07, 8.108344505434941e-05, 0.00048306784030686066, -0.0, -0.0, -0.0]]}, "unique_id": "a13e44c62f01c299ccbe2c2c69761e20", "user": "yangxb"}, "ids": [1], "nextid": 2}