{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.325998693, 0.0, 0.0, 0.0, 7.647409303, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507359053272, "energy": -44.35409555, "forces": {"__ndarray__": [[12, 3], "float64", [0.002314, -0.017268, -0.0, -0.002314, 0.017268, -0.0, -0.002314, -0.017268, 0.0, 0.002314, 0.017268, 0.0, -0.006507, 0.002406, -0.0, 0.006507, -0.002406, -0.0, 0.006507, 0.002406, 0.0, -0.006507, -0.002406, -0.0, 0.027448, -0.024373, 0.0, -0.027448, 0.024373, -0.0, -0.027448, -0.024373, 0.0, 0.027448, 0.024373, 0.0]]}, "free_energy": -44.40198264, "key_value_pairs": {"E": 0.2439540375000003, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143643424356107, "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", [6.27222, 4.82137, 10.0, 3.05377, 2.82604, 10.0, 7.71677, 0.99767, 10.0, 1.60923, 6.64974, 10.0, 1.22788, 4.31265, 10.0, 8.09812, 3.33476, 10.0, 3.43512, 0.48895, 10.0, 5.89088, 7.15846, 10.0, 3.83968, 5.21014, 10.0, 5.48632, 2.43727, 10.0, 0.82332, 1.38643, 10.0, 8.50268, 6.26098, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.757388493781721e-05, 0.0001740632065026323, 0.0006644710615415317, -0.0, -0.0, 0.0]]}, "unique_id": "a9dc7916b81db251246efff7d620ae34", "user": "yangxb"}, "ids": [1], "nextid": 2}