Li 1.0000000000000000 1.6081581820602200 -2.7854116779359002 0.0000000000000000 1.6081581820602200 2.7854116779359002 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.2431735429058897 Li 2 Cartesian 1.6081581820602200 0.9284705593119865 1.3107933857264726 1.6081581820602211 -0.9284705593119860 3.9323801571794177