{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [15.290803572, 0.0, 0.0, 0.0, 9.330494098, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550564985388, "energy": -88.7156985, "forces": {"__ndarray__": [[24, 3], "float64", [-0.004355, 0.003216, 0.0, 0.004355, 0.003216, 0.0, -0.004355, 0.003216, 0.0, 0.004355, 0.003216, 0.0, 0.004689, -0.000362, 0.0, -0.004689, -0.000362, 0.0, 0.004689, -0.000362, 0.0, -0.004689, -0.000362, 0.0, 0.015019, -0.003174, 0.0, -0.015019, -0.003174, -0.0, 0.015019, -0.003174, -0.0, -0.015019, -0.003174, -0.0, 0.007278, -0.002262, 0.0, -0.007278, -0.002262, -0.0, 0.007278, -0.002262, 0.0, -0.007278, -0.002262, 0.0, 0.003266, -0.003724, -0.0, -0.003266, -0.003724, -0.0, 0.003266, -0.003724, 0.0, -0.003266, -0.003724, 0.0, -0.004349, 0.006306, 0.0, 0.004349, 0.006306, 0.0, -0.004349, 0.006306, -0.0, 0.004349, 0.006306, -0.0]]}, "free_energy": -88.80183638, "key_value_pairs": {"E": 0.2436412291666666, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.586977410311512, "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", [6.71719, 8.64133, 10.0, 8.57361, 3.97608, 10.0, 14.3626, 8.64133, 10.0, 0.92821, 3.97608, 10.0, 10.53526, 7.19125, 10.0, 4.75555, 2.52601, 10.0, 2.88986, 7.19125, 10.0, 12.40095, 2.52601, 10.0, 8.1552, 6.41501, 10.0, 7.13561, 1.74977, 10.0, 0.5098, 6.41501, 10.0, 14.78101, 1.74977, 10.0, 2.41491, 2.14441, 10.0, 12.87589, 6.80967, 10.0, 10.06032, 2.14441, 10.0, 5.23049, 6.80967, 10.0, 13.87861, 4.36017, 10.0, 1.4122, 9.02542, 10.0, 6.23321, 4.36017, 10.0, 9.0576, 9.02542, 10.0, 3.30307, 4.75573, 10.0, 11.98773, 0.09049, 10.0, 10.94847, 4.75573, 10.0, 4.34233, 0.09049, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.00011031867379998659, 6.701508348460854e-05, 0.0006268472445307075, -0.0, -0.0, -0.0]]}, "unique_id": "c8d7585d6e1bf30116cdb11fd69528bc", "user": "yangxb"}, "ids": [1], "nextid": 2}