{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.624501989, 0.0, 0.0, 0.0, 5.342388096, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.3255066612204, "energy": -43.65539189, "forces": {"__ndarray__": [[12, 3], "float64", [-0.18934, 0.174523, 0.0, 0.18934, -0.174523, -0.0, 0.18934, 0.174523, 0.0, -0.18934, -0.174523, -0.0, -0.111034, -0.069529, -0.0, 0.111034, 0.069529, -0.0, 0.111034, -0.069529, -0.0, -0.111034, 0.069529, 0.0, -0.115341, 0.011269, -0.0, 0.115341, -0.011269, 0.0, 0.115341, 0.011269, -0.0, -0.115341, -0.011269, 0.0]]}, "free_energy": -43.71588275, "key_value_pairs": {"E": 0.3021793425000003, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.882340341742392, "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", [1.34802, 1.77346, 10.0, 12.27648, 3.56893, 10.0, 5.46423, 4.44465, 10.0, 8.16027, 0.89774, 10.0, 3.36895, 0.50136, 10.0, 10.25555, 4.84103, 10.0, 3.4433, 3.17255, 10.0, 10.1812, 2.16983, 10.0, 5.90209, 1.61645, 10.0, 7.72241, 3.72593, 10.0, 0.91016, 4.28765, 10.0, 12.71434, 1.05474, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.0010401350128101932, 0.0010258481984210465, 0.000507640661735463, -0.0, -0.0, -0.0]]}, "unique_id": "5fb5559baa2df304a043d79ffe13725b", "user": "yangxb"}, "ids": [1], "nextid": 2}