P LATTICE,NONEQUIV.ATOMS 6 136 P42/mnm MODE OF CALC=RELA unit=bohr 27.726062 27.726062 8.694630 90.000000 90.000000 90.000000 ATOM -1: X=0.38670000 Y=0.38670000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.61330000 Y=0.61330000 Z=0.00000000 -1: X=0.11330000 Y=0.88670000 Z=0.50000000 -1: X=0.88670000 Y=0.11330000 Z=0.50000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -2: X=0.11540000 Y=0.67210000 Z=0.00000000 MULT= 8 ISPLIT= 8 -2: X=0.88460000 Y=0.32790000 Z=0.00000000 -2: X=0.82790000 Y=0.61540000 Z=0.50000000 -2: X=0.17210000 Y=0.38460000 Z=0.50000000 -2: X=0.38460000 Y=0.17210000 Z=0.50000000 -2: X=0.61540000 Y=0.82790000 Z=0.50000000 -2: X=0.32790000 Y=0.88460000 Z=0.00000000 -2: X=0.67210000 Y=0.11540000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.09970000 Y=0.09970000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.90030000 Y=0.90030000 Z=0.00000000 -3: X=0.40030000 Y=0.59970000 Z=0.50000000 -3: X=0.59970000 Y=0.40030000 Z=0.50000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.08160000 Y=0.28580000 Z=0.00000000 MULT= 8 ISPLIT= 8 -4: X=0.91840000 Y=0.71420000 Z=0.00000000 -4: X=0.21420000 Y=0.58160000 Z=0.50000000 -4: X=0.78580000 Y=0.41840000 Z=0.50000000 -4: X=0.41840000 Y=0.78580000 Z=0.50000000 -4: X=0.58160000 Y=0.21420000 Z=0.50000000 -4: X=0.71420000 Y=0.91840000 Z=0.00000000 -4: X=0.28580000 Y=0.08160000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 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 -5: X=0.10450000 Y=0.48230000 Z=0.00000000 MULT= 8 ISPLIT= 8 -5: X=0.89550000 Y=0.51770000 Z=0.00000000 -5: X=0.01770000 Y=0.60450000 Z=0.50000000 -5: X=0.98230000 Y=0.39550000 Z=0.50000000 -5: X=0.39550000 Y=0.98230000 Z=0.50000000 -5: X=0.60450000 Y=0.01770000 Z=0.50000000 -5: X=0.51770000 Y=0.89550000 Z=0.00000000 -5: X=0.48230000 Y=0.10450000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 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 -6: X=0.32380000 Y=0.67620000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.67620000 Y=0.32380000 Z=0.00000000 -6: X=0.82380000 Y=0.82380000 Z=0.50000000 -6: X=0.17620000 Y=0.17620000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 1.0000000 0.0000000 0.0000000