{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.458966605, -0.0, 0.0, -0.0, 5.36908692, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506823492976, "energy": -43.77044487, "forces": {"__ndarray__": [[12, 3], "float64", [0.065405, -0.051746, -0.0, -0.065405, 0.051746, -0.0, 0.065405, 0.051746, 0.0, -0.065405, -0.051746, 0.0, 0.019231, 0.026213, -0.0, -0.019231, -0.026213, 0.0, 0.019231, -0.026213, 0.0, -0.019231, 0.026213, -0.0, -0.010537, -0.09379, -0.0, 0.010537, 0.09379, -0.0, -0.010537, 0.09379, 0.0, 0.010537, -0.09379, 0.0]]}, "free_energy": -43.82429612, "key_value_pairs": {"E": 0.2925915941666668, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14353086271993, "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", [12.19339, 0.78442, 10.0, 1.26557, 4.58466, 10.0, 5.46391, 1.90012, 10.0, 7.99506, 3.46897, 10.0, 9.95979, 4.78792, 10.0, 3.49918, 0.58117, 10.0, 3.23031, 3.26571, 10.0, 10.22866, 2.10338, 10.0, 7.66368, 1.03205, 10.0, 5.79529, 4.33704, 10.0, 0.93419, 1.65249, 10.0, 12.52477, 3.71659, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00020420345407152257, -5.973748384382867e-05, 0.000582763465574594, -0.0, -0.0, -0.0]]}, "unique_id": "6523e47cb6b4cb65ba048f62baca52d8", "user": "yangxb"}, "ids": [1], "nextid": 2}