P LATTICE,NONEQUIV.ATOMS 9 62 Pnma MODE OF CALC=RELA unit=bohr 26.391915 10.548451 28.829662 90.000000 90.000000 90.000000 ATOM -1: X=0.56528000 Y=0.25000000 Z=0.55489000 MULT= 4 ISPLIT= 8 -1: X=0.43472000 Y=0.75000000 Z=0.44511000 -1: X=0.06528000 Y=0.25000000 Z=0.94511000 -1: X=0.93472000 Y=0.75000000 Z=0.05489000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.11524000 Y=0.25000000 Z=0.18291000 MULT= 4 ISPLIT= 8 -2: X=0.88476000 Y=0.75000000 Z=0.81709000 -2: X=0.61524000 Y=0.25000000 Z=0.31709000 -2: X=0.38476000 Y=0.75000000 Z=0.68291000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.35459000 Y=0.25000000 Z=0.04612000 MULT= 4 ISPLIT= 8 -3: X=0.64541000 Y=0.75000000 Z=0.95388000 -3: X=0.85459000 Y=0.25000000 Z=0.45388000 -3: X=0.14541000 Y=0.75000000 Z=0.54612000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.27831000 Y=0.25000000 Z=0.78620000 MULT= 4 ISPLIT= 8 -4: X=0.72169000 Y=0.75000000 Z=0.21380000 -4: X=0.77831000 Y=0.25000000 Z=0.71380000 -4: X=0.22169000 Y=0.75000000 Z=0.28620000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.05121000 Y=0.25000000 Z=0.65011000 MULT= 4 ISPLIT= 8 -5: X=0.94879000 Y=0.75000000 Z=0.34989000 -5: X=0.55121000 Y=0.25000000 Z=0.84989000 -5: X=0.44879000 Y=0.75000000 Z=0.15011000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.26209000 Y=0.25000000 Z=0.42672000 MULT= 4 ISPLIT= 8 -6: X=0.73791000 Y=0.75000000 Z=0.57328000 -6: X=0.76209000 Y=0.25000000 Z=0.07328000 -6: X=0.23791000 Y=0.75000000 Z=0.92672000 Ge NPT= 781 R0=.000050000 RMT= 2.31 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 -7: X=0.10345000 Y=0.25000000 Z=0.40505000 MULT= 4 ISPLIT= 8 -7: X=0.89655000 Y=0.75000000 Z=0.59495000 -7: X=0.60345000 Y=0.25000000 Z=0.09495000 -7: X=0.39655000 Y=0.75000000 Z=0.90505000 P NPT= 781 R0=.000100000 RMT= 1.89 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=0.31405000 Y=0.25000000 Z=0.56663000 MULT= 4 ISPLIT= 8 -8: X=0.68595000 Y=0.75000000 Z=0.43337000 -8: X=0.81405000 Y=0.25000000 Z=0.93337000 -8: X=0.18595000 Y=0.75000000 Z=0.06663000 P NPT= 781 R0=.000100000 RMT= 1.89 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=0.36685000 Y=0.25000000 Z=0.31202000 MULT= 4 ISPLIT= 8 -9: X=0.63315000 Y=0.75000000 Z=0.68798000 -9: X=0.86685000 Y=0.25000000 Z=0.18798000 -9: X=0.13315000 Y=0.75000000 Z=0.81202000 P NPT= 781 R0=.000100000 RMT= 1.89 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000