Triclinic periodic calculation 2 atoms 0.0 3.11532 xlo xhi 0.0 3.02459 ylo yhi 0.0 3.12974 zlo zhi 0.0398303 -0.0892305 0.116893 xy xz yz 1 atom types Atoms 1 1 -0.00939825 -0.0291348 0.0186705 2 1 1.54346 1.56594 1.55688 Masses 1 28.0855