CXY LATTICE,NONEQUIV.ATOMS   4   65 Cmmm    
MODE OF CALC=RELA unit=bohr
  7.634494 31.539529  7.842363 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.14000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.86000000 Z=0.50000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=15
Ge         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  32.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Ge         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  32.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.30000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.70000000 Z=0.00000000
Ge         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  32.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000