{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [5.367595107, -0.0, 0.0, -0.0, 13.447377553, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.3255072559705,
 "energy": -43.7786697,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.006509, 0.003099, -0.0, -0.006509, -0.003099, -0.0, -0.006509, 0.003099, 0.0, 0.006509, -0.003099, -0.0, -0.000309, 0.000153, -0.0, 0.000309, -0.000153, 0.0, 0.000309, 0.000153, -0.0, -0.000309, -0.000153, -0.0, -0.006786, -0.00567, -0.0, 0.006786, 0.00567, -0.0, 0.006786, -0.00567, 0.0, -0.006786, 0.00567, 0.0]]},
 "free_energy": -43.82913217,
 "key_value_pairs": {"E": 0.29190619166666654, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143457473011228,
 "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", [1.93841, 7.95147, 10.0, 3.42919, 5.49591, 10.0, 0.74539, 1.22778, 10.0, 4.6222, 12.2196, 10.0, 1.00029, 5.77359, 10.0, 4.36731, 7.67379, 10.0, 1.6835, 12.49728, 10.0, 3.68409, 0.9501, 10.0, 3.32267, 10.24123, 10.0, 2.04492, 3.20615, 10.0, 4.72872, 3.51754, 10.0, 0.63887, 9.92984, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-1.3313138965508989e-05, 3.958989238547751e-05, 0.0005293236644387815, -0.0, -0.0, 0.0]]},
 "unique_id": "2b0738724786e015727933c615946def",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}