P LATTICE,NONEQUIV.ATOMS 9 62 Pnma MODE OF CALC=RELA unit=bohr 27.618347 11.423394 30.167588 90.000000 90.000000 90.000000 ATOM -1: X=0.06470000 Y=0.25000000 Z=0.54970000 MULT= 4 ISPLIT= 8 -1: X=0.93530000 Y=0.75000000 Z=0.45030000 -1: X=0.56470000 Y=0.25000000 Z=0.95030000 -1: X=0.43530000 Y=0.75000000 Z=0.04970000 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=0.11980000 Y=0.25000000 Z=0.31400000 MULT= 4 ISPLIT= 8 -2: X=0.88020000 Y=0.75000000 Z=0.68600000 -2: X=0.61980000 Y=0.25000000 Z=0.18600000 -2: X=0.38020000 Y=0.75000000 Z=0.81400000 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=0.35450000 Y=0.25000000 Z=0.45140000 MULT= 4 ISPLIT= 8 -3: X=0.64550000 Y=0.75000000 Z=0.54860000 -3: X=0.85450000 Y=0.25000000 Z=0.04860000 -3: X=0.14550000 Y=0.75000000 Z=0.95140000 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=0.27890000 Y=0.25000000 Z=0.70600000 MULT= 4 ISPLIT= 8 -4: X=0.72110000 Y=0.75000000 Z=0.29400000 -4: X=0.77890000 Y=0.25000000 Z=0.79400000 -4: X=0.22110000 Y=0.75000000 Z=0.20600000 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=0.05120000 Y=0.25000000 Z=0.84480000 MULT= 4 ISPLIT= 8 -5: X=0.94880000 Y=0.75000000 Z=0.15520000 -5: X=0.55120000 Y=0.25000000 Z=0.65520000 -5: X=0.44880000 Y=0.75000000 Z=0.34480000 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=0.26070000 Y=0.25000000 Z=0.06850000 MULT= 4 ISPLIT= 8 -6: X=0.73930000 Y=0.75000000 Z=0.93150000 -6: X=0.76070000 Y=0.25000000 Z=0.43150000 -6: X=0.23930000 Y=0.75000000 Z=0.56850000 Ge NPT= 781 R0=.000050000 RMT= 2.21 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=0.10100000 Y=0.25000000 Z=0.08860000 MULT= 4 ISPLIT= 8 -7: X=0.89900000 Y=0.75000000 Z=0.91140000 -7: X=0.60100000 Y=0.25000000 Z=0.41140000 -7: X=0.39900000 Y=0.75000000 Z=0.58860000 As NPT= 781 R0=.000050000 RMT= 2.21 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.31030000 Y=0.25000000 Z=0.92800000 MULT= 4 ISPLIT= 8 -8: X=0.68970000 Y=0.75000000 Z=0.07200000 -8: X=0.81030000 Y=0.25000000 Z=0.57200000 -8: X=0.18970000 Y=0.75000000 Z=0.42800000 As NPT= 781 R0=.000050000 RMT= 2.21 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.36620000 Y=0.25000000 Z=0.18240000 MULT= 4 ISPLIT= 8 -9: X=0.63380000 Y=0.75000000 Z=0.81760000 -9: X=0.86620000 Y=0.25000000 Z=0.31760000 -9: X=0.13380000 Y=0.75000000 Z=0.68240000 As NPT= 781 R0=.000050000 RMT= 2.21 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000