{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.493753216, -0.0, 0.0, 0.0, 7.466558518, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550601854234,
 "energy": -50.05037886,
 "forces": {"__ndarray__": [[14, 3], "float64", [-0.004052, 6e-06, 0.0, 0.004052, -6e-06, -0.0, -0.004052, -6e-06, -0.0, 0.004052, 6e-06, 0.0, 0.006449, -0.003567, 0.0, -0.006449, 0.003567, 0.0, 0.006449, 0.003567, 0.0, -0.006449, -0.003567, 0.0, -0.0, -0.007646, -0.0, 0.0, 0.007646, 0.0, -0.004119, -0.005038, 0.0, 0.004119, 0.005038, 0.0, -0.004119, 0.005038, -0.0, 0.004119, -0.005038, -0.0]]},
 "free_energy": -50.11791172,
 "key_value_pairs": {"E": 0.2591107957142856, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.143509731822462,
 "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[14, 3], "float64", [0.50021, 1.86706, 10.00002, 10.99354, 5.5995, 10.00002, 6.24709, 5.5995, 10.00002, 5.24666, 1.86706, 10.00002, 4.28402, 4.21542, 10.00002, 7.20973, 3.25114, 10.00002, 10.0309, 3.25114, 10.00002, 1.46286, 4.21542, 10.00002, 8.62031, 5.60054, 10.00002, 2.87344, 1.86602, 10.00002, 1.4618, 6.98526, 10.00002, 10.03195, 0.48129, 10.00002, 7.20868, 0.48129, 10.00002, 4.28507, 6.98526, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [-9.899033473650848e-06, -2.419833088104939e-05, 0.0006842067133975744, -0.0, -0.0, 0.0]]},
 "unique_id": "cb870b596292d1991158f3793a4fcf8f",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}