P LATTICE,NONEQUIV.ATOMS 9 62 Pnma MODE OF CALC=RELA unit=bohr 26.728286 11.328908 29.290755 90.000000 90.000000 90.000000 ATOM -1: X=0.06230000 Y=0.25000000 Z=0.54840000 MULT= 4 ISPLIT= 8 -1: X=0.93770000 Y=0.75000000 Z=0.45160000 -1: X=0.56230000 Y=0.25000000 Z=0.95160000 -1: X=0.43770000 Y=0.75000000 Z=0.04840000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.11730000 Y=0.25000000 Z=0.31210000 MULT= 4 ISPLIT= 8 -2: X=0.88270000 Y=0.75000000 Z=0.68790000 -2: X=0.61730000 Y=0.25000000 Z=0.18790000 -2: X=0.38270000 Y=0.75000000 Z=0.81210000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.35400000 Y=0.25000000 Z=0.44950000 MULT= 4 ISPLIT= 8 -3: X=0.64600000 Y=0.75000000 Z=0.55050000 -3: X=0.85400000 Y=0.25000000 Z=0.05050000 -3: X=0.14600000 Y=0.75000000 Z=0.94950000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.27620000 Y=0.25000000 Z=0.70510000 MULT= 4 ISPLIT= 8 -4: X=0.72380000 Y=0.75000000 Z=0.29490000 -4: X=0.77620000 Y=0.25000000 Z=0.79490000 -4: X=0.22380000 Y=0.75000000 Z=0.20510000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.04730000 Y=0.25000000 Z=0.84820000 MULT= 4 ISPLIT= 8 -5: X=0.95270000 Y=0.75000000 Z=0.15180000 -5: X=0.54730000 Y=0.25000000 Z=0.65180000 -5: X=0.45270000 Y=0.75000000 Z=0.34820000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.26020000 Y=0.25000000 Z=0.06400000 MULT= 4 ISPLIT= 8 -6: X=0.73980000 Y=0.75000000 Z=0.93600000 -6: X=0.76020000 Y=0.25000000 Z=0.43600000 -6: X=0.23980000 Y=0.75000000 Z=0.56400000 Si NPT= 781 R0=.000100000 RMT= 2.00 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.10800000 Y=0.25000000 Z=0.08590000 MULT= 4 ISPLIT= 8 -7: X=0.89200000 Y=0.75000000 Z=0.91410000 -7: X=0.60800000 Y=0.25000000 Z=0.41410000 -7: X=0.39200000 Y=0.75000000 Z=0.58590000 P NPT= 781 R0=.000100000 RMT= 2.10 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.30660000 Y=0.25000000 Z=0.92980000 MULT= 4 ISPLIT= 8 -8: X=0.69340000 Y=0.75000000 Z=0.07020000 -8: X=0.80660000 Y=0.25000000 Z=0.57020000 -8: X=0.19340000 Y=0.75000000 Z=0.42980000 P NPT= 781 R0=.000100000 RMT= 2.10 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.36270000 Y=0.25000000 Z=0.17160000 MULT= 4 ISPLIT= 8 -9: X=0.63730000 Y=0.75000000 Z=0.82840000 -9: X=0.86270000 Y=0.25000000 Z=0.32840000 -9: X=0.13730000 Y=0.75000000 Z=0.67160000 P NPT= 781 R0=.000100000 RMT= 2.10 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000