{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.282810842, -0.0, 0.0, 0.0, 9.277012041, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550777621201, "energy": -50.3574692, "forces": {"__ndarray__": [[14, 3], "float64", [-0.001445, -0.00657, -0.0, 0.001445, 0.00657, 0.0, 0.001445, -0.00657, 0.0, -0.001445, 0.00657, -0.0, -0.003222, -0.003822, 0.0, 0.003222, 0.003822, -0.0, 0.003222, -0.003822, -0.0, -0.003222, 0.003822, 0.0, 0.000129, 0.008758, 0.0, -0.000129, -0.008758, 0.0, -0.000129, 0.008758, -0.0, 0.000129, -0.008758, -0.0, -0.0, -0.0, 0.0, -0.0, -0.0, 0.0]]}, "free_energy": -50.40781441, "key_value_pairs": {"E": 0.23717577142857163, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.15755416827589, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [1.73306, 6.37038, 10.0, 7.54975, 2.90663, 10.0, 2.90834, 1.73187, 10.0, 6.37447, 7.54514, 10.0, 6.51882, 5.14826, 10.0, 2.76399, 4.12875, 10.0, 7.4054, 0.50976, 10.0, 1.87742, 8.76726, 10.0, 5.15205, 2.75979, 10.0, 4.13076, 6.51723, 10.0, 8.77216, 7.39829, 10.0, 0.51065, 1.87872, 10.0, 0.0, 4.63851, 10.0, 4.64141, -0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.3005100257670675e-05, -3.7648783047327815e-05, 0.000488073530625819, -0.0, -0.0, -0.0]]}, "unique_id": "5f6ddeb93277f2db6bfebcb443757e54", "user": "yangxb"}, "ids": [1], "nextid": 2}