{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.282068728, -0.0, 0.0, 0.0, 9.278794137, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507683912047, "energy": -50.3523287, "forces": {"__ndarray__": [[14, 3], "float64", [0.000652, 0.00198, -0.0, -0.000652, -0.00198, -0.0, 0.000652, -0.00198, -0.0, -0.000652, 0.00198, -0.0, 0.008336, -0.001752, 0.0, -0.008336, 0.001752, 0.0, 0.008336, 0.001752, -0.0, -0.008336, -0.001752, -0.0, 0.004204, 0.007739, 0.0, -0.004204, -0.007739, -0.0, 0.004204, -0.007739, 0.0, -0.004204, 0.007739, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0]]}, "free_energy": -50.40259948, "key_value_pairs": {"E": 0.23754294999999992, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143631807441864, "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", [6.37382, 1.73152, 10.0, 2.90825, 7.54727, 10.0, 1.73278, 2.90788, 10.0, 7.54928, 6.37092, 10.0, 6.5168, 4.12988, 10.0, 2.76526, 5.14891, 10.0, 1.87577, 0.50951, 10.0, 7.4063, 8.76928, 10.0, 0.51032, 7.39959, 10.0, 8.77174, 1.8792, 10.0, 5.15136, 6.5186, 10.0, 4.13071, 2.7602, 10.0, 4.64103, -0.0, 10.0, 0.0, 4.6394, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-2.7481364681263984e-05, 2.7163047715843945e-05, 0.000499732669672969, -0.0, -0.0, 0.0]]}, "unique_id": "5fea9833b501d1dc4f9a8d04759f53b6", "user": "yangxb"}, "ids": [1], "nextid": 2}