{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.3102404, -0.0, 0.0, -0.0, 7.664543189, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.3255066988564, "energy": -44.35420373, "forces": {"__ndarray__": [[12, 3], "float64", [-0.003217, 0.00162, -0.0, 0.003217, -0.00162, -0.0, -0.003217, -0.00162, -0.0, 0.003217, 0.00162, -0.0, -0.002312, 0.004036, 0.0, 0.002312, -0.004036, 0.0, -0.002312, -0.004036, -0.0, 0.002312, 0.004036, 0.0, -0.002173, 0.005873, -0.0, 0.002173, -0.005873, 0.0, -0.002173, -0.005873, 0.0, 0.002173, 0.005873, -0.0]]}, "free_energy": -44.40042141, "key_value_pairs": {"E": 0.24394502249999986, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.08561520447627, "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", [6.25859, 0.97431, 10.0, 3.05165, 6.69024, 10.0, 1.60347, 2.85797, 10.0, 7.70677, 4.80658, 10.0, 8.08947, 7.15193, 10.0, 1.22077, 0.51262, 10.0, 3.43435, 4.34489, 10.0, 5.87589, 3.31965, 10.0, 5.48383, 6.25727, 10.0, 3.82641, 1.40728, 10.0, 0.82871, 5.23955, 10.0, 8.48153, 2.42499, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-4.4164918574749934e-05, 4.247971111076145e-05, 0.000607305079457567, -0.0, -0.0, -0.0]]}, "unique_id": "6bcd699525b81a25dd39819f55eee881", "user": "yangxb"}, "ids": [1], "nextid": 2}