Triclinic periodic calculation 8 atoms 0.0 5.39143 xlo xhi 0.0 5.17841 ylo yhi 0.0 5.38784 zlo zhi 0.144963 -0.144779 0.421312 xy xz yz 1 atom types Atoms 1 1 0.15223 0.0692904 -0.00428898 2 1 1.42734 1.24068 1.17973 3 1 -0.332931 2.76994 2.80275 4 1 1.2591 4.25807 3.96691 5 1 2.6931 0.104845 2.7319 6 1 4.09744 1.52781 4.38962 7 1 2.50984 2.47613 -0.202936 8 1 4.16866 4.11218 1.07304 Masses 1 28.0855