Triclinic periodic calculation 2 atoms 0.0 3.12783 xlo xhi 0.0 3.05374 ylo yhi 0.0 3.15575 zlo zhi 0.0832148 0.00299195 -0.0197029 xy xz yz 1 atom types Atoms 1 1 0.000171398 0.00791018 -0.0148407 2 1 1.58463 1.49762 1.60366 Masses 1 28.0855