{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.444932469, -0.0, 0.0, 0.0, 5.366040369, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506728508373, "energy": -43.78477939, "forces": {"__ndarray__": [[12, 3], "float64", [-0.006584, 0.001859, 0.0, 0.006584, -0.001859, 0.0, -0.006584, -0.001859, 0.0, 0.006584, 0.001859, -0.0, -0.014135, 0.00353, 0.0, 0.014135, -0.00353, -0.0, -0.014135, -0.00353, -0.0, 0.014135, 0.00353, 0.0, -0.004066, -0.004499, 0.0, 0.004066, 0.004499, 0.0, -0.004066, 0.004499, -0.0, 0.004066, -0.004499, 0.0]]}, "free_energy": -43.83737956, "key_value_pairs": {"E": 0.2913970508333336, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.882325154512, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [7.97119, 4.60224, 10.0, 5.47375, 0.7638, 10.0, 1.24872, 3.44682, 10.0, 12.19621, 1.91922, 10.0, 3.22176, -0.60025, 10.0, 10.22317, 0.60025, 10.0, 9.94422, 3.28327, 10.0, 3.50071, 2.08277, 10.0, 5.78365, 3.69516, 10.0, 7.66129, 1.67088, 10.0, 12.50611, 4.35391, 10.0, 0.93882, 1.01214, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00011772110362328414, -0.00018631528891674114, 0.000541968961927821, -0.0, -0.0, -0.0]]}, "unique_id": "74101dda89f9a0f5216fb3a11747c16a", "user": "yangxb"}, "ids": [1], "nextid": 2}