{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.373703297, 0.0, 0.0, -0.0, 7.590210412, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550631620865,
 "energy": -44.33744621,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.011778, 0.006539, -0.0, 0.011778, -0.006539, 0.0, 0.011778, 0.006539, -0.0, -0.011778, -0.006539, 0.0, -0.003632, 0.000701, -0.0, 0.003632, -0.000701, 0.0, 0.003632, 0.000701, -0.0, -0.003632, -0.000701, -0.0, 0.000384, 0.009522, 0.0, -0.000384, -0.009522, -0.0, -0.000384, 0.009522, 0.0, 0.000384, -0.009522, -0.0]]},
 "free_energy": -44.38821031,
 "key_value_pairs": {"E": 0.24534148249999976, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.14365694330639,
 "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", [6.3177, 2.76672, 10.0, 3.056, 4.82349, 10.0, 7.74285, 6.56183, 10.0, 1.63085, 1.02838, 10.0, 5.92441, 0.44949, 10.0, 3.44929, 7.14072, 10.0, 8.13614, 4.2446, 10.0, 1.23756, 3.34561, 10.0, 8.56669, 1.33355, 10.0, 0.80702, 6.25666, 10.0, 5.49387, 5.12865, 10.0, 3.87983, 2.46156, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [2.8068066539097013e-05, 4.518852607139479e-06, 0.0005908212538561093, -0.0, -0.0, -0.0]]},
 "unique_id": "958c9790ba8176ffdcb4a254b96fe65d",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}