{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.497363029, 0.0, 0.0, 0.0, 7.464443041, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507955617066, "energy": -50.04312198, "forces": {"__ndarray__": [[14, 3], "float64", [0.008385, -0.001977, 0.0, -0.008385, -0.001977, -0.0, -0.008385, -0.001977, -0.0, 0.008385, -0.001977, -0.0, -0.00522, -0.000135, 0.0, 0.00522, -0.000135, 0.0, 0.00522, -0.000135, 0.0, -0.00522, -0.000135, 0.0, 0.002792, -0.001173, -0.0, -0.002792, -0.001173, -0.0, -0.002792, -0.001173, 0.0, 0.002792, -0.001173, 0.0, -0.0, 0.006572, -0.0, -0.0, 0.006572, -0.0]]}, "free_energy": -50.1106986, "key_value_pairs": {"E": 0.2596291442857141, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.982335578181896, "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", [9.12201, 5.47991, 10.0, 2.37536, 5.47991, 10.0, 8.12404, 1.74769, 10.0, 3.37333, 1.74769, 10.0, 1.41399, 3.13449, 10.0, 10.08337, 3.13449, 10.0, 4.33469, 6.86671, 10.0, 7.16267, 6.86671, 10.0, 7.16077, 4.09401, 10.0, 4.33659, 4.09401, 10.0, 10.08527, 0.36179, 10.0, 1.41209, 0.36179, 10.0, 5.74868, 1.74703, 10.0, -0.0, 5.47925, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.05033574785265e-05, 4.2230050745726124e-05, 0.000630554700951482, -0.0, -0.0, -0.0]]}, "unique_id": "1aac3e8defcabf6cc708513aa3683272", "user": "yangxb"}, "ids": [1], "nextid": 2}