CXY LATTICE,NONEQUIV.ATOMS 2 64 Cmca MODE OF CALC=RELA unit=bohr 14.902380 8.798565 8.819352 90.000000 90.000000 90.000000 ATOM -1: X=0.27900000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.72100000 Y=0.00000000 Z=0.00000000 -1: X=0.27900000 Y=0.50000000 Z=0.50000000 -1: X=0.72100000 Y=0.50000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.22 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.17210000 Z=0.18620000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.82790000 Z=0.81380000 -2: X=0.00000000 Y=0.67210000 Z=0.31380000 -2: X=0.00000000 Y=0.32790000 Z=0.68620000 Ge NPT= 781 R0=.000050000 RMT= 2.22 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000