Triclinic periodic calculation 2 atoms 0.0 3.09364 xlo xhi 0.0 3.12894 ylo yhi 0.0 3.02362 zlo zhi 0.0341094 0.101496 0.0654021 xy xz yz 1 atom types Atoms 1 1 0.097794 -0.0241817 -0.0831941 2 1 1.56812 1.56625 1.50001 Masses 1 28.0855