{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.614110038, 0.0, 0.0, 0.0, 9.353203685, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550667772343,
 "energy": -44.34032878,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.004585, -0.008765, 0.0, -0.004585, 0.008765, 0.0, 0.004585, 0.008765, -0.0, -0.004585, -0.008765, -0.0, 0.004503, 0.000996, 0.0, -0.004503, -0.000996, 0.0, 0.004503, -0.000996, -0.0, -0.004503, 0.000996, 0.0, -0.00195, -0.002053, -0.0, 0.00195, 0.002053, -0.0, -0.00195, 0.002053, 0.0, 0.00195, -0.002053, 0.0]]},
 "free_energy": -44.38999329,
 "key_value_pairs": {"E": 0.24510126833333334, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.589343559107338,
 "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", [2.79175, 6.3017, 10.00002, 4.82236, 3.05151, 10.00002, 6.59881, 7.72811, 10.00002, 1.0153, 1.6251, 10.00002, 0.46787, 5.90945, 10.00002, 7.14624, 3.44376, 10.00002, 4.27493, 8.12036, 10.00002, 3.33918, 1.23285, 10.00002, 1.35373, 8.54222, 10.00002, 6.26038, 0.81099, 10.00002, 5.16078, 5.48759, 10.00002, 2.45333, 3.86562, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [2.3093583765768058e-06, 5.529977085532567e-06, 0.0005901596538887657, -0.0, -0.0, 0.0]]},
 "unique_id": "8ac00c2fe448630365eddd5148f6308f",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}