P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 22.223179 7.842363 8.239206 90.000000 90.000000 90.000000 ATOM -1: X=0.12000000 Y=0.25000000 Z=0.11500000 MULT= 4 ISPLIT= 8 -1: X=0.88000000 Y=0.75000000 Z=0.88500000 -1: X=0.62000000 Y=0.25000000 Z=0.38500000 -1: X=0.38000000 Y=0.75000000 Z=0.61500000 Ge NPT= 781 R0=.000050000 RMT= 2.47 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.35000000 Y=0.25000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.65000000 Y=0.75000000 Z=0.00000000 -2: X=0.85000000 Y=0.25000000 Z=0.50000000 -2: X=0.15000000 Y=0.75000000 Z=0.50000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000