Triclinic periodic calculation 8 atoms 0.0 5.33408 xlo xhi 0.0 5.4373 ylo yhi 0.0 5.40079 zlo zhi 0.034982 0.179208 0.185424 xy xz yz 1 atom types Atoms 1 1 -0.0492126 -0.0420999 -0.0477888 2 1 1.41891 1.35069 1.31795 3 1 0.0600152 2.70621 2.67075 4 1 1.52388 3.98641 4.19062 5 1 2.7955 -0.0317733 2.51171 6 1 4.14719 1.34284 3.96242 7 1 2.77343 2.76788 -0.181612 8 1 4.04692 4.12597 1.21449 Masses 1 28.0855