{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.282669926, 0.0, 0.0, 0.0, 9.277010986, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507635519703, "energy": -50.35486038, "forces": {"__ndarray__": [[14, 3], "float64", [0.003014, 0.003595, -0.0, -0.003014, -0.003595, -0.0, -0.003014, 0.003595, -0.0, 0.003014, -0.003595, -0.0, 0.005024, 0.002878, 0.0, -0.005024, -0.002878, 0.0, -0.005024, 0.002878, -0.0, 0.005024, -0.002878, -0.0, 0.005053, 0.006757, -0.0, -0.005053, -0.006757, 0.0, -0.005053, 0.006757, 0.0, 0.005053, -0.006757, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]]}, "free_energy": -50.40519129, "key_value_pairs": {"E": 0.23736211571428584, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143556201043033, "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", [7.55045, 2.90739, 10.0, 1.73222, 6.36962, 10.0, 6.37356, 7.54589, 10.0, 2.90911, 1.73112, 10.0, 1.87651, 8.7665, 10.0, 7.40616, 0.51051, 10.0, 2.76482, 4.12799, 10.0, 6.51785, 5.14902, 10.0, 8.77082, 7.39856, 10.0, 0.51185, 1.87846, 10.0, 5.15319, 2.76005, 10.0, 4.12948, 6.51696, 10.0, 4.64133, 0.0, 10.0, 0.0, 4.63851, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.0548150422742706e-05, -1.4411644571664442e-05, 0.0004921429945758949, -0.0, -0.0, 0.0]]}, "unique_id": "a6709cd781933b20aecd2e4b78ae04d3", "user": "yangxb"}, "ids": [1], "nextid": 2}