P LATTICE,NONEQUIV.ATOMS 4 14 P21/n MODE OF CALC=RELA unit=bohr 10.728164 6.762763 17.400409 90.000000 90.000000106.135000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 1.85 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04810000 Y=0.28490000 Z=0.35800000 MULT= 4 ISPLIT= 8 -2: X=0.95190000 Y=0.71510000 Z=0.64200000 -2: X=0.45190000 Y=0.21510000 Z=0.85800000 -2: X=0.54810000 Y=0.78490000 Z=0.14200000 Ag NPT= 781 R0=.000010000 RMT= 1.85 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.27360000 Y=0.48790000 Z=0.04990000 MULT= 4 ISPLIT= 8 -3: X=0.72640000 Y=0.51210000 Z=0.95010000 -3: X=0.22640000 Y=0.01210000 Z=0.54990000 -3: X=0.77360000 Y=0.98790000 Z=0.45010000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.32440000 Y=0.03660000 Z=0.31190000 MULT= 4 ISPLIT= 8 -4: X=0.67560000 Y=0.96340000 Z=0.68810000 -4: X=0.17560000 Y=0.46340000 Z=0.81190000 -4: X=0.82440000 Y=0.53660000 Z=0.18810000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000