{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.888008826, 0.0, 0.0, 0.0, 8.08962024, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506149951355,
 "energy": -43.75596765,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.0, 0.001273, 0.0, 0.0, -0.001273, 0.0, 0.0, 0.008315, 0.0, 0.0, -0.008315, 0.0, 0.0, 0.0, -0.0, 0.0, -0.0, -0.0, 0.005139, 0.004244, 0.0, 0.005139, -0.004244, 0.0, -0.005139, 0.004244, -0.0, -0.005139, -0.004244, 0.0, 0.0, 0.009848, 0.0, 0.0, -0.009848, 0.0]]},
 "free_energy": -43.8034214,
 "key_value_pairs": {"E": 0.2937980291666665, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143514358661683,
 "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", [2.222, 0.15796, 10.0, 6.66601, 7.93166, 10.0, 2.222, 5.13344, 10.0, 6.66601, 2.95618, 10.0, 4.444, 4.04481, 9.99996, 0.0, 4.04481, 10.00004, 8.52753, 1.32191, 9.99996, 4.08352, 6.76771, 10.00004, 4.80449, 1.32191, 10.00004, 0.36048, 6.76771, 9.99996, 6.66601, 5.58789, 10.0, 2.222, 2.50173, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-6.57293326046766e-05, -2.90791910174901e-05, 0.0005571108630672137, -0.0, -0.0, 0.0]]},
 "unique_id": "989faf6a90d92d4c93a3bb65e155e8e6",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}