{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.45641221, -0.0, 0.0, 0.0, 11.508782779, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550758210562, "energy": -50.0375866, "forces": {"__ndarray__": [[14, 3], "float64", [-0.008597, -0.002749, 0.0, 0.008597, 0.002749, 0.0, 0.008597, -0.002749, -0.0, -0.008597, 0.002749, -0.0, 0.002179, -0.001293, -0.0, -0.002179, 0.001293, 0.0, -0.002179, -0.001293, 0.0, 0.002179, 0.001293, -0.0, 0.003702, 0.002671, -0.0, -0.003702, -0.002671, -0.0, -0.003702, 0.002671, 0.0, 0.003702, -0.002671, 0.0, 0.0, 0.0, -0.0, 0.0, -0.0, -0.0]]}, "free_energy": -50.09975451, "key_value_pairs": {"E": 0.26002452857142877, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.145255210004265, "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", [3.7342, 8.131, 10.0, 3.72221, 3.37778, 10.0, 7.45041, 2.37661, 10.0, 0.006, 9.13217, 10.0, 5.10727, 1.4118, 10.0, 2.34914, 10.09698, 10.0, 6.07735, 7.16619, 10.0, 1.37906, 4.34259, 10.0, 2.33957, 1.41451, 10.0, 5.11684, 10.09429, 10.0, 1.38864, 7.16889, 10.0, 6.06777, 4.3399, 10.0, 3.72821, 5.75439, 10.0, 0.0, 0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.386422375637252e-05, 2.4054776171154076e-05, 0.0005213594987941545, -0.0, -0.0, -0.0]]}, "unique_id": "11c65202a5daee8f8275af1fbc3cd435", "user": "yangxb"}, "ids": [1], "nextid": 2}