{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.369508905, 0.0, 0.0, -0.0, 13.44259744, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506529951728, "energy": -43.78223776, "forces": {"__ndarray__": [[12, 3], "float64", [-0.002482, -0.004889, 0.0, 0.002482, 0.004889, -0.0, 0.002482, -0.004889, -0.0, -0.002482, 0.004889, 0.0, -0.007849, -0.005488, 0.0, 0.007849, 0.005488, -0.0, 0.007849, -0.005488, -0.0, -0.007849, 0.005488, 0.0, 0.001805, 0.002021, 0.0, -0.001805, -0.002021, -0.0, -0.001805, 0.002021, -0.0, 0.001805, -0.002021, 0.0]]}, "free_energy": -43.83304549, "key_value_pairs": {"E": 0.29160885333333325, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.1025404232102, "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", [4.62338, 5.49133, 10.0, 0.74613, 7.95127, 10.0, 3.43088, 12.21263, 10.0, 1.93862, 1.22997, 10.0, 4.36821, 0.9484, 10.0, 1.00129, 12.49419, 10.0, 3.68605, 7.6697, 10.0, 1.68346, 5.7729, 10.0, 2.05247, 9.92842, 10.0, 3.31704, 3.51417, 10.0, 0.63228, 3.20713, 10.0, 4.73723, 10.23547, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [7.099092479779617e-05, 6.307044971705033e-05, 0.0005359334226030918, -0.0, -0.0, -0.0]]}, "unique_id": "2b767394b36be7566d165ee553306283", "user": "yangxb"}, "ids": [1], "nextid": 2}