Triclinic periodic calculation 8 atoms 0.0 5.3952 xlo xhi 0.0 5.6034 ylo yhi 0.0 5.27588 zlo zhi 0.00461172 0.071329 0.0469434 xy xz yz 1 atom types Atoms 1 1 -0.014831299999999999 -0.0405976 0.07415789999999998 2 1 1.40662 1.3372899999999999 1.4456499999999999 3 1 0.021393000000000002 2.68696 2.7381899999999995 4 1 1.3197 4.028149999999999 4.061119999999999 5 1 2.69728 0.0386556 2.72588 6 1 4.00631 1.34667 3.9585999999999997 7 1 2.7243 2.858729999999999 -0.08050109999999999 8 1 4.14392 4.06243 1.1582599999999998 Masses 1 28.0855