{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.660035985, 0.0, 0.0, 0.0, 13.514083255, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550577376893, "energy": -87.95300838, "forces": {"__ndarray__": [[24, 3], "float64", [-0.001851, 0.001882, 0.0, 0.001851, 0.001882, 0.0, -0.001851, 0.001882, 0.0, 0.001851, 0.001882, 0.0, 0.002392, 0.005064, 0.0, -0.002392, 0.005064, 0.0, 0.002392, 0.005064, 0.0, -0.002392, 0.005064, 0.0, 0.002311, -0.005964, 0.0, -0.002311, -0.005964, -0.0, 0.002311, -0.005964, 0.0, -0.002311, -0.005964, 0.0, -0.004032, -0.004267, -0.0, 0.004032, -0.004267, -0.0, -0.004032, -0.004267, -0.0, 0.004032, -0.004267, 0.0, 0.000319, -0.002756, -0.0, -0.000319, -0.002756, 0.0, 0.000319, -0.002756, -0.0, -0.000319, -0.002756, 0.0, -0.002037, 0.00604, 0.0, 0.002037, 0.00604, 0.0, -0.002037, 0.00604, -0.0, 0.002037, 0.00604, 0.0]]}, "free_energy": -88.05609601, "key_value_pairs": {"E": 0.2754199841666667, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.586523992203805, "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", [0.89445, 11.26875, 10.0, 9.76559, 4.5117, 10.0, 6.22447, 11.26875, 10.0, 4.43557, 4.5117, 10.0, 9.76489, 8.5647, 10.0, 0.89515, 1.80765, 10.0, 4.43487, 8.5647, 10.0, 6.22516, 1.80765, 10.0, 3.70375, 2.25878, 10.0, 6.95629, 9.01582, 10.0, 9.03377, 2.25878, 10.0, 1.62627, 9.01582, 10.0, 3.05612, 6.53836, 10.0, 7.60392, 13.2954, 10.0, 8.38614, 6.53836, 10.0, 2.2739, 13.2954, 10.0, 6.95257, 4.06359, 10.0, 3.70747, 10.82063, 10.0, 1.62255, 4.06359, 10.0, 9.03749, 10.82063, 10.0, 4.8943, 13.29699, 10.0, 5.76573, 6.53995, 10.0, 10.22432, 13.29699, 10.0, 0.43572, 6.53995, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-3.442816433837205e-05, 3.0795606027108e-05, 0.0005615797836013462, -0.0, -0.0, -0.0]]}, "unique_id": "2dfb46389f07d0c9896aaff6d63d267e", "user": "yangxb"}, "ids": [1], "nextid": 2}