Triclinic periodic calculation 2 atoms 0.0 3.12238 xlo xhi 0.0 3.16279 ylo yhi 0.0 3.21978 zlo zhi 0.177061 0.131945 -0.000621583 xy xz yz 1 atom types Atoms 1 1 -0.0177653 -0.0779799 0.0964733 2 1 1.59537 1.43843 1.37284 Masses 1 28.0855