{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.437978194, -0.0, 0.0, 0.0, 5.370312456, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506441732273, "energy": -43.78106247, "forces": {"__ndarray__": [[12, 3], "float64", [0.00435, 0.00623, 0.0, -0.00435, -0.00623, -0.0, -0.00435, 0.00623, 0.0, 0.00435, -0.00623, -0.0, -0.002327, 0.003271, 0.0, 0.002327, -0.003271, -0.0, 0.002327, 0.003271, 0.0, -0.002327, -0.003271, -0.0, 0.005564, 0.004594, 0.0, -0.005564, -0.004594, 0.0, -0.005564, 0.004594, -0.0, 0.005564, -0.004594, 0.0]]}, "free_energy": -43.83275721, "key_value_pairs": {"E": 0.2917067941666665, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.049636386428094, "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", [7.95773, 4.6157, 10.0, 5.48025, 0.75461, 10.0, 12.19924, 1.93055, 10.0, 1.23874, 3.43976, 10.0, 10.22533, 0.61478, 10.0, 3.21264, 4.75553, 10.0, 9.93163, 3.29994, 10.0, 3.50635, 2.07037, 10.0, 5.77565, 3.6922, 10.0, 7.66233, 1.67812, 10.0, 0.94334, 1.00704, 10.0, 12.49464, 4.36327, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-4.18680432164249e-05, 8.781803340117745e-06, 0.000548909520075803, -0.0, -0.0, -0.0]]}, "unique_id": "d6d266770c9d48f6132766f2154b7479", "user": "yangxb"}, "ids": [1], "nextid": 2}