{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.663446432, 0.0, 0.0, 0.0, 13.510428305, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505679379944, "energy": -87.95393187, "forces": {"__ndarray__": [[24, 3], "float64", [0.004267, -0.002227, -0.0, -0.004267, -0.002227, -0.0, 0.004267, -0.002227, -0.0, -0.004267, -0.002227, -0.0, -0.005623, -0.005509, -0.0, 0.005623, -0.005509, -0.0, -0.005623, -0.005509, 0.0, 0.005623, -0.005509, -0.0, 0.003328, 0.008931, -0.0, -0.003328, 0.008931, -0.0, 0.003328, 0.008931, -0.0, -0.003328, 0.008931, -0.0, 0.001295, 0.00057, 0.0, -0.001295, 0.00057, 0.0, 0.001295, 0.00057, -0.0, -0.001295, 0.00057, 0.0, 0.000152, -0.003767, -0.0, -0.000152, -0.003767, 0.0, 0.000152, -0.003767, -0.0, -0.000152, -0.003767, 0.0, 0.004832, 0.002003, -0.0, -0.004832, 0.002003, 0.0, 0.004832, 0.002003, -0.0, -0.004832, 0.002003, 0.0]]}, "free_energy": -88.0566179, "key_value_pairs": {"E": 0.27538150541666645, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.049735340706984, "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", [3.55781, 6.30931, 10.0, 7.10563, 13.06452, 10.0, 8.88954, 6.30931, 10.0, 1.77391, 13.06452, 10.0, 1.7741, 3.60842, 10.0, 8.88935, 10.36363, 10.0, 7.10582, 3.60842, 10.0, 3.55762, 10.36363, 10.0, 8.4363, 1.58347, 10.0, 2.22714, 8.33868, 10.0, 3.10458, 1.58347, 10.0, 7.55887, 8.33868, 10.0, 4.93731, 8.3349, 10.0, 5.72614, 1.57968, 10.0, 10.26903, 8.3349, 10.0, 0.39442, 1.57968, 10.0, 4.28935, 12.61798, 10.0, 6.3741, 5.86276, 10.0, 9.62107, 12.61798, 10.0, 1.04237, 5.86276, 10.0, 1.03499, 10.81247, 10.0, 9.62845, 4.05724, 10.0, 6.36672, 10.81247, 10.0, 4.29673, 4.05724, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.0810293806029803e-05, -3.782354530285255e-06, 0.0005537903802122438, -0.0, -0.0, -0.0]]}, "unique_id": "15cb3d88af5dbfc232c66fda6b7c6cae", "user": "yangxb"}, "ids": [1], "nextid": 2}