P LATTICE,NONEQUIV.ATOMS 5 59 Pmmn MODE OF CALC=RELA unit=bohr 12.576127 22.508528 11.491425 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.69081000 MULT= 2 ISPLIT= 8 -1: X=0.75000000 Y=0.75000000 Z=0.30919000 Au NPT= 781 R0=.000005000 RMT= 2.50000 Z: 79.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04491000 Y=0.25000000 Z=0.05765000 MULT= 4 ISPLIT= 8 -2: X=0.95509000 Y=0.75000000 Z=0.94235000 -2: X=0.54491000 Y=0.75000000 Z=0.94235000 -2: X=0.45509000 Y=0.25000000 Z=0.05765000 Ge NPT= 781 R0=.000050000 RMT= 2.32 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 -3: X=0.25000000 Y=0.13485000 Z=0.32804000 MULT= 4 ISPLIT= 8 -3: X=0.75000000 Y=0.86515000 Z=0.67196000 -3: X=0.75000000 Y=0.63485000 Z=0.67196000 -3: X=0.25000000 Y=0.36515000 Z=0.32804000 Ge NPT= 781 R0=.000050000 RMT= 2.32 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 -4: X=0.25000000 Y=0.51411000 Z=0.83080000 MULT= 4 ISPLIT= 8 -4: X=0.75000000 Y=0.48589000 Z=0.16920000 -4: X=0.75000000 Y=0.01411000 Z=0.16920000 -4: X=0.25000000 Y=0.98589000 Z=0.83080000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.25000000 Y=0.75000000 Z=0.42150000 MULT= 2 ISPLIT= 8 -5: X=0.75000000 Y=0.25000000 Z=0.57850000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000