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 -0.733416 xy xz yz 1 atom types Atoms 1 1 0.00327702 -0.0382766 0.433443 2 1 1.09616 1.45225 1.46895 3 1 0.130178 2.57242 2.88603 4 1 1.56489 3.87283 4.50025 5 1 2.74098 -0.214768 2.33093 6 1 4.21449 1.24218 3.87733 7 1 2.20243 2.94328 0.228142 8 1 4.00805 4.02926 1.38377 Masses 1 28.0855