{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.31634445, 0.0, 0.0, 0.0, 7.658691899, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550649718549,
 "energy": -44.35785488,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.00048, 0.007849, 0.0, -0.00048, -0.007849, 0.0, 0.00048, -0.007849, 0.0, -0.00048, 0.007849, 0.0, 0.006804, 0.001849, 0.0, -0.006804, -0.001849, 0.0, 0.006804, -0.001849, -0.0, -0.006804, 0.001849, -0.0, -0.009951, -0.000162, 0.0, 0.009951, 0.000162, -0.0, -0.009951, 0.000162, 0.0, 0.009951, -0.000162, -0.0]]},
 "free_energy": -44.40463086,
 "key_value_pairs": {"E": 0.2436407600000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143506396638298,
 "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", [3.0488, 4.80902, 9.99998, 6.26755, 2.84968, 9.99998, 7.70697, 6.67902, 9.99998, 1.60937, 0.97967, 9.99998, 0.82382, 6.2619, 9.99998, 8.49253, 1.39679, 9.99998, 5.48199, 5.22614, 9.99998, 3.83436, 2.43255, 9.99998, 8.09477, 4.3375, 9.99998, 1.22158, 3.32119, 9.99998, 3.43659, 7.15053, 9.99998, 5.87975, 0.50816, 9.99998]]},
 "stress": {"__ndarray__": [[6], "float64", [2.891691178021714e-05, -5.517494067280801e-06, 0.0006460960586749314, -0.0, -0.0, -0.0]]},
 "unique_id": "8202e73f1dab9e744048ff99ed8c2158",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}