{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278655433, -0.0, 0.0, -0.0, 9.27897616, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507628169618, "energy": -50.36370288, "forces": {"__ndarray__": [[14, 3], "float64", [-0.007793, 0.000918, -0.0, 0.007793, -0.000918, -0.0, 0.007793, 0.000918, 0.0, -0.007793, -0.000918, 0.0, -0.000491, 0.003488, -0.0, 0.000491, -0.003488, -0.0, 0.000491, 0.003488, 0.0, -0.000491, -0.003488, 0.0, -0.00385, 0.001495, 0.0, 0.00385, -0.001495, -0.0, 0.00385, 0.001495, -0.0, -0.00385, -0.001495, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0]]}, "free_energy": -50.41398555, "key_value_pairs": {"E": 0.2367305085714287, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143649876657438, "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", [6.37177, 1.73182, 10.0, 2.90689, 7.54716, 10.0, 7.54622, 6.37131, 10.0, 1.73244, 2.90767, 10.0, 1.87583, 0.5096, 10.0, 7.40283, 8.76938, 10.0, 2.7635, 5.14909, 10.0, 6.51516, 4.12989, 10.0, 0.51021, 7.40036, 10.0, 8.76845, 1.87862, 10.0, 4.12912, 2.76087, 10.0, 5.14954, 6.51811, 10.0, 4.63933, -0.0, 10.0, -0.0, 4.63949, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.1509342828128729e-05, 8.881667486131876e-06, 0.0005067294014030841, -0.0, -0.0, -0.0]]}, "unique_id": "d7161cb56858fc12b107c3eda5f9757e", "user": "yangxb"}, "ids": [1], "nextid": 2}