{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.588581662, 0.0, 0.0, 0.0, 9.377993801, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550690483213, "energy": -44.34992869, "forces": {"__ndarray__": [[12, 3], "float64", [-0.009145, 0.001485, 0.0, 0.009145, -0.001485, -0.0, 0.009145, 0.001485, -0.0, -0.009145, -0.001485, 0.0, 0.009539, -0.001705, -0.0, -0.009539, 0.001705, -0.0, -0.009539, -0.001705, 0.0, 0.009539, 0.001705, 0.0, 0.002446, 0.005041, 0.0, -0.002446, -0.005041, -0.0, -0.002446, 0.005041, -0.0, 0.002446, -0.005041, 0.0]]}, "free_energy": -44.40088272, "key_value_pairs": {"E": 0.24430127583333347, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.587318303927667, "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", [4.82366, 3.05916, 10.0, 2.76492, 6.31883, 10.0, 6.55921, 7.74816, 10.0, 1.02937, 1.62984, 10.0, 0.4462, 5.92865, 10.0, 7.14239, 3.44934, 10.0, 3.3481, 1.23966, 10.0, 4.24049, 8.13834, 10.0, 6.25464, 0.80587, 10.0, 1.33395, 8.57213, 10.0, 5.12824, 5.49487, 10.0, 2.46034, 3.88313, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.408598371678349e-05, 6.670300802831438e-05, 0.0006702070084282183, -0.0, -0.0, 0.0]]}, "unique_id": "4b5579d3d46bb77aab9eeccd7589221c", "user": "yangxb"}, "ids": [1], "nextid": 2}