P LATTICE,NONEQUIV.ATOMS 10 62 Pnma MODE OF CALC=RELA unit=bohr 30.942376 8.009037 35.489057 90.000000 90.000000 90.000000 ATOM -1: X=0.45998000 Y=0.25000000 Z=0.38242000 MULT= 4 ISPLIT= 8 -1: X=0.54002000 Y=0.75000000 Z=0.61758000 -1: X=0.95998000 Y=0.25000000 Z=0.11758000 -1: X=0.04002000 Y=0.75000000 Z=0.88242000 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=0.00563000 Y=0.25000000 Z=0.62302000 MULT= 4 ISPLIT= 8 -2: X=0.99437000 Y=0.75000000 Z=0.37698000 -2: X=0.50563000 Y=0.25000000 Z=0.87698000 -2: X=0.49437000 Y=0.75000000 Z=0.12302000 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=0.29387000 Y=0.25000000 Z=0.69776000 MULT= 4 ISPLIT= 8 -3: X=0.70613000 Y=0.75000000 Z=0.30224000 -3: X=0.79387000 Y=0.25000000 Z=0.80224000 -3: X=0.20613000 Y=0.75000000 Z=0.19776000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.25287000 Y=0.25000000 Z=0.01800000 MULT= 4 ISPLIT= 8 -4: X=0.74713000 Y=0.75000000 Z=0.98200000 -4: X=0.75287000 Y=0.25000000 Z=0.48200000 -4: X=0.24713000 Y=0.75000000 Z=0.51800000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.20510000 Y=0.25000000 Z=0.35574000 MULT= 4 ISPLIT= 8 -5: X=0.79490000 Y=0.75000000 Z=0.64426000 -5: X=0.70510000 Y=0.25000000 Z=0.14426000 -5: X=0.29490000 Y=0.75000000 Z=0.85574000 Zn NPT= 781 R0=.000050000 RMT= 2.38 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.32077000 Y=0.25000000 Z=0.15146000 MULT= 4 ISPLIT= 8 -6: X=0.67923000 Y=0.75000000 Z=0.84854000 -6: X=0.82077000 Y=0.25000000 Z=0.34854000 -6: X=0.17923000 Y=0.75000000 Z=0.65146000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.13666000 Y=0.25000000 Z=0.47302000 MULT= 4 ISPLIT= 8 -7: X=0.86334000 Y=0.75000000 Z=0.52698000 -7: X=0.63666000 Y=0.25000000 Z=0.02698000 -7: X=0.36334000 Y=0.75000000 Z=0.97302000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.21217000 Y=0.25000000 Z=0.84364000 MULT= 4 ISPLIT= 8 -8: X=0.78783000 Y=0.75000000 Z=0.15636000 -8: X=0.71217000 Y=0.25000000 Z=0.65636000 -8: X=0.28783000 Y=0.75000000 Z=0.34364000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.36850000 Y=0.25000000 Z=0.56053000 MULT= 4 ISPLIT= 8 -9: X=0.63150000 Y=0.75000000 Z=0.43947000 -9: X=0.86850000 Y=0.25000000 Z=0.93947000 -9: X=0.13150000 Y=0.75000000 Z=0.06053000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.10345000 Y=0.25000000 Z=0.25616000 MULT= 4 ISPLIT= 8 -10: X=0.89655000 Y=0.75000000 Z=0.74384000 -10: X=0.60345000 Y=0.25000000 Z=0.24384000 -10: X=0.39655000 Y=0.75000000 Z=0.75616000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000