Triclinic periodic calculation 8 atoms 0.0 5.46441 xlo xhi 0.0 5.60761 ylo yhi 0.0 5.71653 zlo zhi 0.239301 0.167861 -0.7334160000000001 xy xz yz 1 atom types Atoms 1 1 0.003277020000000001 -0.038276600000000015 0.433443 2 1 1.09616 1.4522499999999998 1.46895 3 1 0.130178 2.57242 2.8860299999999994 4 1 1.5648899999999997 3.872829999999999 4.50025 5 1 2.7409800000000004 -0.214768 2.3309299999999995 6 1 4.21449 1.2421799999999998 3.87733 7 1 2.20243 2.9432799999999992 0.228142 8 1 4.008050000000001 4.029259999999999 1.3837699999999997 Masses 1 28.0855