{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.461135166, -1.222e-06, 0.0, -4.87e-07, 5.369045185, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550721935451,
 "energy": -43.79484339,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.005534, -0.01582, -0.000529, -0.003261, 0.016544, 0.000295, 0.003234, 0.01654, 0.000303, -0.005527, -0.015816, -0.000538, 0.013851, 0.004205, -0.000172, -0.014254, -0.003821, 0.000493, 0.014267, -0.003776, 0.000504, -0.013858, 0.004202, -0.000183, 0.029451, 0.041654, -0.000109, -0.028849, -0.042785, 2.3e-05, 0.028852, -0.042785, -8e-05, -0.02944, 0.041659, -6e-06]]},
 "free_energy": -43.84589295,
 "key_value_pairs": {"E": 0.29055838416666696, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143525948386294,
 "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", [1.2347, 4.61919, 9.99973, 12.22646, 0.74986, 10.00005, 7.96525, 3.43438, 10.00005, 5.49587, 1.93467, 9.99973, 3.20902, 3.30847, 9.99972, 10.25219, 2.06051, 10.00018, 9.93951, 4.74503, 10.00019, 3.52154, 0.62395, 9.99971, 5.78106, 4.35969, 9.99981, 7.68004, 1.00941, 10.00015, 12.51166, 3.69393, 10.00007, 0.9495, 1.67517, 9.99989]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0003429834094855368, 9.865953475283665e-05, 0.0005152178538142853, 2.371773467835638e-07, 6.241509125883259e-09, -3.1207545629416294e-08]]},
 "unique_id": "c5924191c6120507ae50af65ee68365d",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}