{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.641135463, -0.0, 0.0, 0.0, 9.331927053, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506259641035, "energy": -44.35063343, "forces": {"__ndarray__": [[12, 3], "float64", [-0.009805, -0.001496, -0.0, 0.009805, 0.001496, -0.0, -0.009805, 0.001496, 0.0, 0.009805, -0.001496, 0.0, -0.004214, -0.01154, -0.0, 0.004214, 0.01154, -0.0, -0.004214, 0.01154, -0.0, 0.004214, -0.01154, 0.0, 0.0093, 0.013707, -0.0, -0.0093, -0.013707, 0.0, 0.0093, -0.013707, -0.0, -0.0093, 0.013707, 0.0]]}, "free_energy": -44.3986256, "key_value_pairs": {"E": 0.24424254749999985, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.1435269510348, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [6.65516, 7.72063, 10.0, 0.98598, 1.6113, 10.0, 2.83459, 6.27726, 10.0, 4.80655, 3.05467, 10.0, 5.20728, 5.49085, 10.0, 2.43386, 3.84108, 10.0, 1.38671, 8.50704, 10.0, 6.25443, 0.82488, 10.0, 3.32255, 1.22458, 10.0, 4.31859, 8.10735, 10.0, 7.14312, 3.44139, 10.0, 0.49802, 5.89054, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.468186145186322e-05, 0.00012673384280105957, 0.0006418019003963238, -0.0, -0.0, 0.0]]}, "unique_id": "dbdcdfa6b177d04fb868e19ca1799317", "user": "yangxb"}, "ids": [1], "nextid": 2}