{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.66334293, 0.0, 0.0, -0.0, 13.510553644, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550611854439, "energy": -87.96317056, "forces": {"__ndarray__": [[24, 3], "float64", [0.008569, 0.003226, 0.0, 0.008569, -0.003226, 0.0, -0.008569, -0.003226, 0.0, -0.008569, 0.003226, 0.0, -0.008569, -0.003226, 0.0, -0.008569, 0.003226, 0.0, 0.008569, 0.003226, 0.0, 0.008569, -0.003226, 0.0, -0.00879, -0.0, 0.0, 0.00879, -0.0, 0.0, 0.00879, -0.0, 0.0, -0.00879, -0.0, 0.0, 0.003746, 0.003996, -0.0, 0.003746, -0.003996, -0.0, -0.003746, -0.003996, 0.0, -0.003746, 0.003996, -0.0, -0.003746, -0.003996, 0.0, -0.003746, 0.003996, 0.0, 0.003746, 0.003996, -0.0, 0.003746, -0.003996, -0.0, 0.007291, -0.0, -0.0, -0.007291, -0.0, -0.0, -0.007291, -0.0, 0.0, 0.007291, -0.0, 0.0]]}, "free_energy": -88.06586023, "key_value_pairs": {"E": 0.2749965600000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143513104477623, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [8.88878, 8.10534, 10.0, 8.88878, 12.16049, 10.0, 7.10624, 5.40521, 10.0, 7.10624, 1.35007, 10.0, 1.77456, 5.40521, 10.0, 1.77456, 1.35007, 10.0, 3.55711, 8.10534, 10.0, 3.55711, 12.16049, 10.0, 2.22728, 10.13292, 10.0, 3.10439, 3.37764, 10.0, 8.43607, 3.37764, 10.0, 7.55895, 10.13292, 10.0, 1.03852, 12.6075, 10.0, 1.03852, 7.65833, 10.0, 4.29315, 0.90305, 10.0, 4.29315, 5.85222, 10.0, 9.62482, 0.90305, 10.0, 9.62482, 5.85222, 10.0, 6.37019, 12.6075, 10.0, 6.37019, 7.65833, 10.0, 10.26856, 10.13292, 10.0, 5.72645, 3.37764, 10.0, 0.39478, 3.37764, 10.0, 4.93689, 10.13292, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.938906171311423e-05, 1.1109886244072198e-06, 0.0005669724474861093, -0.0, -0.0, -0.0]]}, "unique_id": "725fd97c813c86f04c7673e340f885e0", "user": "yangxb"}, "ids": [1], "nextid": 2}