{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.277289599, 3e-09, 0.0, -3e-09, 9.277289599, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550806925607, "energy": -50.37286612, "forces": {"__ndarray__": [[14, 3], "float64", [0.002473, -0.00289, -0.0, -0.002473, 0.00289, 0.0, 0.00289, 0.002473, -0.0, -0.00289, -0.002473, -0.0, -0.004469, -0.003278, 0.0, 0.004469, 0.003278, -0.0, 0.003278, -0.004469, 0.0, -0.003278, 0.004469, -0.0, -0.002979, -0.005338, -0.0, 0.002979, 0.005338, 0.0, 0.005338, -0.002979, 0.0, -0.005338, 0.002979, 0.0, -0.0, 0.0, -0.0, -0.0, 0.0, -0.0]]}, "free_energy": -50.42314004, "key_value_pairs": {"E": 0.23607599142857158, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.982272879591285, "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", [6.36988, 1.73158, 10.0, 2.90741, 7.54571, 10.0, 7.54571, 6.36988, 10.0, 1.73158, 2.90741, 10.0, 7.4008, 8.76718, 10.0, 1.87649, 0.51011, 10.0, 0.51011, 7.4008, 10.0, 8.76718, 1.87649, 10.0, 4.12855, 2.76233, 10.0, 5.14874, 6.51496, 10.0, 6.51496, 4.12855, 10.0, 2.76233, 5.14874, 10.0, 4.63864, 0.0, 10.0, -0.0, 4.63864, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.088078239420032e-05, -5.088078239420032e-05, 0.0005276759060295483, -0.0, -0.0, 0.0]]}, "unique_id": "43437ba2f1333fbb8d19fc85e13c45f1", "user": "yangxb"}, "ids": [1], "nextid": 2}