{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [14.147661466, 0.0, 0.0, 0.0, 10.242207634, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.3255078636381, "energy": -87.59131499, "forces": {"__ndarray__": [[24, 3], "float64", [-0.000122, 0.005217, -0.0, 0.000122, -0.005217, -0.0, -0.000122, -0.005217, 0.0, 0.000122, 0.005217, -0.0, -0.005479, -0.001527, 0.0, 0.005479, 0.001527, 0.0, -0.005479, 0.001527, -0.0, 0.005479, -0.001527, -0.0, -0.000754, -0.007928, -0.0, 0.000754, 0.007928, -0.0, -0.000754, 0.007928, 0.0, 0.000754, -0.007928, 0.0, -0.009151, 0.003375, -0.0, 0.009151, -0.003375, -0.0, -0.009151, -0.003375, 0.0, 0.009151, 0.003375, 0.0, 0.006685, 0.002852, -0.0, -0.006685, -0.002852, 0.0, 0.006685, -0.002852, 0.0, -0.006685, 0.002852, -0.0, 0.004676, -0.001783, -0.0, -0.004676, 0.001783, 0.0, 0.004676, 0.001783, -0.0, -0.004676, -0.001783, -0.0]]}, "free_energy": -87.69857112, "key_value_pairs": {"E": 0.2904905420833333, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.9835808469689, "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", [10.38765, 0.28122, 10.0, 3.76001, 9.96099, 10.0, 3.31382, 4.83989, 10.0, 10.83384, 5.40232, 10.0, 6.31089, 3.17601, 10.0, 7.83677, 7.0662, 10.0, 13.38473, 1.94509, 10.0, 0.76294, 8.29711, 10.0, 3.90669, 2.45451, 10.0, 10.24098, 7.7877, 10.0, 10.98052, 2.6666, 10.0, 3.16715, 7.57561, 10.0, 5.94606, 0.73201, 10.0, 8.2016, 9.51019, 10.0, 13.01989, 4.38909, 10.0, 1.12777, 5.85312, 10.0, 12.80163, 7.14134, 10.0, 1.34603, 3.10087, 10.0, 5.7278, 8.22197, 10.0, 8.41986, 2.02024, 10.0, 1.42557, 0.3604, 10.0, 12.72209, 9.88181, 10.0, 8.4994, 4.7607, 10.0, 5.64826, 5.4815, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [7.743840372483359e-05, 7.106582290730678e-05, 0.0005317890605435054, -0.0, -0.0, -0.0]]}, "unique_id": "6449722ad2f997e2d80ca015e098e28d", "user": "yangxb"}, "ids": [1], "nextid": 2}