{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.659506694, 0.0, 0.0, 0.0, 13.513402458, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550567319616, "energy": -87.9620074, "forces": {"__ndarray__": [[24, 3], "float64", [-0.001389, -0.003431, 0.0, 0.001389, -0.003431, -0.0, -0.001389, -0.003431, 0.0, 0.001389, -0.003431, -0.0, 0.005822, -0.000458, -0.0, -0.005822, -0.000458, -0.0, 0.005822, -0.000458, -0.0, -0.005822, -0.000458, 0.0, -0.002583, 0.004108, 0.0, 0.002583, 0.004108, -0.0, -0.002583, 0.004108, -0.0, 0.002583, 0.004108, 0.0, 7.4e-05, -0.000845, -0.0, -7.4e-05, -0.000845, 0.0, 7.4e-05, -0.000845, -0.0, -7.4e-05, -0.000845, 0.0, 0.002472, -0.001264, 0.0, -0.002472, -0.001264, -0.0, 0.002472, -0.001264, 0.0, -0.002472, -0.001264, -0.0, -0.000138, 0.001891, 0.0, 0.000138, 0.001891, -0.0, -0.000138, 0.001891, 0.0, 0.000138, 0.001891, -0.0]]}, "free_energy": -88.06497682, "key_value_pairs": {"E": 0.27504502499999983, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.08560932788552, "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", [4.43877, 5.161, 10.0, 6.22074, 11.9177, 10.0, 9.76852, 5.161, 10.0, 0.89099, 11.9177, 10.0, 9.76252, 1.10793, 10.0, 0.89698, 7.86463, 10.0, 4.43277, 1.10793, 10.0, 6.22674, 7.86463, 10.0, 0.43802, 3.12832, 10.0, 10.22149, 9.88502, 10.0, 5.76777, 3.12832, 10.0, 4.89173, 9.88502, 10.0, 6.95112, 5.60792, 10.0, 3.70838, 12.36462, 10.0, 1.62137, 5.60792, 10.0, 9.03814, 12.36462, 10.0, 7.60121, 9.89408, 10.0, 3.05829, 3.13737, 10.0, 2.27146, 9.89408, 10.0, 8.38805, 3.13737, 10.0, 6.95861, 0.65596, 10.0, 3.7009, 7.41266, 10.0, 1.62886, 0.65596, 10.0, 9.03065, 7.41266, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.586150667665515e-06, -2.044718389639355e-05, 0.0005056621033425581, -0.0, -0.0, -0.0]]}, "unique_id": "2d4557274a3d83cdc2e4a7e95510173c", "user": "yangxb"}, "ids": [1], "nextid": 2}