{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.492210613, 0.0, 0.0, 0.0, 7.466585356, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506012003892, "energy": -50.04726641, "forces": {"__ndarray__": [[14, 3], "float64", [-0.009351, -0.002988, 0.0, 0.009351, -0.002988, -0.0, 0.009351, 0.002988, 0.0, -0.009351, 0.002988, -0.0, -0.005048, 0.004574, -0.0, 0.005048, 0.004574, -0.0, 0.005048, -0.004574, 0.0, -0.005048, -0.004574, 0.0, 0.006547, -0.001709, -0.0, -0.006547, -0.001709, -0.0, -0.006547, 0.001709, 0.0, 0.006547, 0.001709, 0.0, 0.0, -0.007894, 0.0, 0.0, 0.007894, 0.0]]}, "free_energy": -50.11484495, "key_value_pairs": {"E": 0.25933311357142863, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.87926085150753, "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", [5.24665, 5.60035, 10.0, 0.49945, 5.60035, 10.0, 6.24556, 1.86623, 10.0, 10.99276, 1.86623, 10.0, 4.28445, 0.48207, 10.0, 1.46166, 0.48207, 10.0, 7.20776, 6.98451, 10.0, 10.03055, 6.98451, 10.0, 1.46125, 3.25299, 10.0, 4.28485, 3.25299, 10.0, 10.03096, 4.21359, 10.0, 7.20736, 4.21359, 10.0, 2.87305, 5.60108, 10.0, 8.61916, 1.8655, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.15008965583328e-05, -2.7387742044375738e-05, 0.0006298681349476349, -0.0, -0.0, 0.0]]}, "unique_id": "6f65e2514d6cff1c1dbfacfe765b7657", "user": "yangxb"}, "ids": [1], "nextid": 2}