P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 19.705119 11.143715 9.098842 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.50000000 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 -1: X=0.00000000 Y=0.50000000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 1.82 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 -2: X=0.22000000 Y=0.25000000 Z=0.51130000 MULT= 4 ISPLIT= 8 -2: X=0.78000000 Y=0.75000000 Z=0.48870000 -2: X=0.72000000 Y=0.25000000 Z=0.98870000 -2: X=0.28000000 Y=0.75000000 Z=0.01130000 Ge NPT= 781 R0=.000050000 RMT= 1.82 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=0.40550000 Y=0.25000000 Z=0.05240000 MULT= 4 ISPLIT= 8 -3: X=0.59450000 Y=0.75000000 Z=0.94760000 -3: X=0.90550000 Y=0.25000000 Z=0.44760000 -3: X=0.09450000 Y=0.75000000 Z=0.55240000 Ge NPT= 781 R0=.000050000 RMT= 1.82 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 -4: X=0.40600000 Y=0.25000000 Z=0.67900000 MULT= 4 ISPLIT= 8 -4: X=0.59400000 Y=0.75000000 Z=0.32100000 -4: X=0.90600000 Y=0.25000000 Z=0.82100000 -4: X=0.09400000 Y=0.75000000 Z=0.17900000 N NPT= 781 R0=.000100000 RMT= 1.56 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.06280000 Y=0.25000000 Z=0.25520000 MULT= 4 ISPLIT= 8 -5: X=0.93720000 Y=0.75000000 Z=0.74480000 -5: X=0.56280000 Y=0.25000000 Z=0.24480000 -5: X=0.43720000 Y=0.75000000 Z=0.75520000 N NPT= 781 R0=.000100000 RMT= 1.56 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.33890000 Y=0.00520000 Z=0.23800000 MULT= 8 ISPLIT= 8 -6: X=0.66110000 Y=0.99480000 Z=0.76200000 -6: X=0.83890000 Y=0.00520000 Z=0.26200000 -6: X=0.16110000 Y=0.99480000 Z=0.73800000 -6: X=0.16110000 Y=0.50520000 Z=0.73800000 -6: X=0.83890000 Y=0.49480000 Z=0.26200000 -6: X=0.66110000 Y=0.50520000 Z=0.76200000 -6: X=0.33890000 Y=0.49480000 Z=0.23800000 N NPT= 781 R0=.000100000 RMT= 1.56 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000