Triclinic periodic calculation 2 atoms 0.0 3.14929 xlo xhi 0.0 3.14241 ylo yhi 0.0 3.1446200000000006 zlo zhi 0.00934815 -0.139367 -0.0783735 xy xz yz 1 atom types Atoms 1 1 0.0264947 -0.0464831 0.0241305 2 1 1.5435999999999999 1.5591899999999999 1.64394 Masses 1 28.0855