{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.498918372, -0.0, 0.0, 0.0, 7.465160381, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507404474816, "energy": -50.03727963, "forces": {"__ndarray__": [[14, 3], "float64", [0.002506, -0.002457, -0.0, -0.002506, 0.002457, -0.0, -0.002506, -0.002457, 0.0, 0.002506, 0.002457, -0.0, -0.000853, -0.002476, -0.0, 0.000853, 0.002476, -0.0, 0.000853, -0.002476, 0.0, -0.000853, 0.002476, 0.0, 0.0, -0.0, -0.0, -0.0, 0.0, -0.0, -0.004601, -0.002446, -0.0, 0.004601, 0.002446, -0.0, 0.004601, -0.002446, 0.0, -0.004601, 0.002446, 0.0]]}, "free_energy": -50.10481523, "key_value_pairs": {"E": 0.26004645499999995, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143698373890047, "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", [8.12203, 0.00103, 10.0, 3.37689, -0.00103, 10.0, 9.12635, 3.73361, 10.0, 2.37257, 3.73155, 10.0, 7.16291, 2.34836, 10.0, 4.336, 5.1168, 10.0, 10.08546, 6.08094, 10.0, 1.41346, 1.38422, 10.0, 5.74946, -0.0, 10.0, 0.0, 3.73258, 10.0, 10.08654, 1.38573, 10.0, 1.41238, 6.07943, 10.0, 7.16184, 5.11831, 10.0, 4.33708, 2.34685, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.306347860047366e-05, 3.8379039615056156e-05, 0.00047876744051912715, -0.0, -0.0, -0.0]]}, "unique_id": "b6cb47eca5d7e8454e32c4ff0368b4ad", "user": "yangxb"}, "ids": [1], "nextid": 2}