Triclinic periodic calculation 2 atoms 0.0 3.0839 xlo xhi 0.0 3.17138 ylo yhi 0.0 3.06669 zlo zhi 0.0102376 0.127489 0.0401208 xy xz yz 1 atom types Atoms 1 1 -0.08850089999999998 0.048595299999999994 0.104223 2 1 1.6457799999999998 1.6365199999999998 1.5299099999999999 Masses 1 28.0855