{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.465950531, -6.48e-07, 0.0, -5.232974179, 9.063779485, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550526296988, "energy": -59.68060376, "forces": {"__ndarray__": [[16, 3], "float64", [0.001019, -0.001405, -0.0, 0.000707, 0.001585, -0.0, -0.001727, -0.00018, -0.0, 0.003206, -0.008901, -0.0, 0.006106, 0.007227, 0.0, -0.009312, 0.001674, 0.0, 0.001094, 0.001767, -0.0, -0.002077, 6.4e-05, 0.0, 0.000983, -0.001831, -0.0, 0.0, -0.0, -0.0, -0.007786, 0.00498, -0.0, -0.00042, -0.009233, 0.0, 0.008206, 0.004253, 0.0, -0.002199, 0.006483, 0.0, -0.004515, -0.005145, 0.0, 0.006713, -0.001337, 0.0]]}, "free_energy": -59.74745186, "key_value_pairs": {"E": 0.30283289000000035, "Au_rate": 0.625, "Si_rate": 0.375}, "mtime": 24.982343473325287, "numbers": {"__ndarray__": [[16], "int32", [14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [2.49022, 6.04234, 10.0, -1.24495, 8.1992, 10.0, -1.24527, 3.88601, 10.0, 2.5142, 1.69116, 10.0, 7.74426, 1.33178, 10.0, 5.44047, 6.04084, 10.0, -0.37237, 1.57434, 10.0, 4.05574, 7.95413, 10.0, -3.68337, 8.59909, 10.0, -0.0, 6.04252, 10.0, 1.34002, 3.71986, 10.0, 1.34147, 8.36434, 10.0, -2.68149, 6.04336, 10.0, 4.05337, 4.12836, 10.0, 4.864, 1.44614, 10.0, 6.78156, 3.48928, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.1166059826205148e-05, -1.1166059826205148e-05, 0.0005158482462359995, 0.0, -0.0, -0.0]]}, "unique_id": "3eaffa25fdc04484c340eb369021389e", "user": "yangxb"}, "ids": [1], "nextid": 2}