P LATTICE,NONEQUIV.ATOMS 5 213 P4132 MODE OF CALC=RELA unit=bohr 20.522426 20.522426 20.522426 90.000000 90.000000 90.000000 ATOM -1: X=0.37500000 Y=0.37500000 Z=0.37500000 MULT= 4 ISPLIT= 4 -1: X=0.87500000 Y=0.12500000 Z=0.62500000 -1: X=0.12500000 Y=0.62500000 Z=0.87500000 -1: X=0.62500000 Y=0.87500000 Z=0.12500000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -2: X=0.12500000 Y=0.85530000 Z=0.10530000 MULT=12 ISPLIT= 8 -2: X=0.39470000 Y=0.87500000 Z=0.35530000 -2: X=0.62500000 Y=0.64470000 Z=0.89470000 -2: X=0.10530000 Y=0.12500000 Z=0.85530000 -2: X=0.37500000 Y=0.14470000 Z=0.60530000 -2: X=0.60530000 Y=0.37500000 Z=0.14470000 -2: X=0.87500000 Y=0.35530000 Z=0.39470000 -2: X=0.89470000 Y=0.62500000 Z=0.64470000 -2: X=0.35530000 Y=0.39470000 Z=0.87500000 -2: X=0.85530000 Y=0.10530000 Z=0.12500000 -2: X=0.14470000 Y=0.60530000 Z=0.37500000 -2: X=0.64470000 Y=0.89470000 Z=0.62500000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 ATOM -3: X=0.12500000 Y=0.11320000 Z=0.36320000 MULT=12 ISPLIT= 8 -3: X=0.13680000 Y=0.87500000 Z=0.61320000 -3: X=0.62500000 Y=0.38680000 Z=0.63680000 -3: X=0.36320000 Y=0.12500000 Z=0.11320000 -3: X=0.37500000 Y=0.88680000 Z=0.86320000 -3: X=0.86320000 Y=0.37500000 Z=0.88680000 -3: X=0.87500000 Y=0.61320000 Z=0.13680000 -3: X=0.63680000 Y=0.62500000 Z=0.38680000 -3: X=0.61320000 Y=0.13680000 Z=0.87500000 -3: X=0.11320000 Y=0.36320000 Z=0.12500000 -3: X=0.88680000 Y=0.86320000 Z=0.37500000 -3: X=0.38680000 Y=0.63680000 Z=0.62500000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 ATOM -4: X=0.11470000 Y=0.35150000 Z=0.35760000 MULT=24 ISPLIT= 8 -4: X=0.89850000 Y=0.86470000 Z=0.60760000 -4: X=0.61470000 Y=0.14850000 Z=0.64240000 -4: X=0.35760000 Y=0.11470000 Z=0.35150000 -4: X=0.38530000 Y=0.64850000 Z=0.85760000 -4: X=0.10150000 Y=0.36470000 Z=0.89240000 -4: X=0.13530000 Y=0.10760000 Z=0.60150000 -4: X=0.60150000 Y=0.13530000 Z=0.10760000 -4: X=0.88530000 Y=0.85150000 Z=0.14240000 -4: X=0.14240000 Y=0.88530000 Z=0.85150000 -4: X=0.39850000 Y=0.63530000 Z=0.39240000 -4: X=0.36470000 Y=0.89240000 Z=0.10150000 -4: X=0.85760000 Y=0.38530000 Z=0.64850000 -4: X=0.86470000 Y=0.60760000 Z=0.89850000 -4: X=0.64240000 Y=0.61470000 Z=0.14850000 -4: X=0.63530000 Y=0.39240000 Z=0.39850000 -4: X=0.60760000 Y=0.89850000 Z=0.86470000 -4: X=0.35150000 Y=0.35760000 Z=0.11470000 -4: X=0.89240000 Y=0.10150000 Z=0.36470000 -4: X=0.14850000 Y=0.64240000 Z=0.61470000 -4: X=0.10760000 Y=0.60150000 Z=0.13530000 -4: X=0.64850000 Y=0.85760000 Z=0.38530000 -4: X=0.39240000 Y=0.39850000 Z=0.63530000 -4: X=0.85150000 Y=0.14240000 Z=0.88530000 S NPT= 781 R0=.000100000 RMT= 2.14 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.12400000 Y=0.12400000 Z=0.12400000 MULT= 8 ISPLIT= 4 -5: X=0.12600000 Y=0.87400000 Z=0.37400000 -5: X=0.62400000 Y=0.37600000 Z=0.87600000 -5: X=0.37600000 Y=0.87600000 Z=0.62400000 -5: X=0.87400000 Y=0.37400000 Z=0.12600000 -5: X=0.37400000 Y=0.12600000 Z=0.87400000 -5: X=0.87600000 Y=0.62400000 Z=0.37600000 -5: X=0.62600000 Y=0.62600000 Z=0.62600000 S NPT= 781 R0=.000100000 RMT= 2.14 Z: 16.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503