F LATTICE,NONEQUIV.ATOMS 3 226 Fm-3c MODE OF CALC=RELA unit=bohr 22.790097 22.790097 22.790097 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.75000000 Y=0.75000000 Z=0.75000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.00000000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.12000000 Z=0.17900000 MULT=24 ISPLIT=15 -3: X=0.00000000 Y=0.88000000 Z=0.82100000 -3: X=0.88000000 Y=0.00000000 Z=0.67900000 -3: X=0.12000000 Y=0.00000000 Z=0.32100000 -3: X=0.17900000 Y=0.00000000 Z=0.12000000 -3: X=0.82100000 Y=0.00000000 Z=0.88000000 -3: X=0.00000000 Y=0.88000000 Z=0.17900000 -3: X=0.00000000 Y=0.12000000 Z=0.82100000 -3: X=0.00000000 Y=0.17900000 Z=0.62000000 -3: X=0.00000000 Y=0.82100000 Z=0.38000000 -3: X=0.12000000 Y=0.00000000 Z=0.67900000 -3: X=0.88000000 Y=0.00000000 Z=0.32100000 -3: X=0.82100000 Y=0.00000000 Z=0.12000000 -3: X=0.17900000 Y=0.00000000 Z=0.88000000 -3: X=0.00000000 Y=0.82100000 Z=0.62000000 -3: X=0.00000000 Y=0.17900000 Z=0.38000000 -3: X=0.17900000 Y=0.88000000 Z=0.50000000 -3: X=0.82100000 Y=0.12000000 Z=0.50000000 -3: X=0.12000000 Y=0.17900000 Z=0.00000000 -3: X=0.88000000 Y=0.82100000 Z=0.00000000 -3: X=0.17900000 Y=0.12000000 Z=0.50000000 -3: X=0.82100000 Y=0.88000000 Z=0.50000000 -3: X=0.88000000 Y=0.17900000 Z=0.00000000 -3: X=0.12000000 Y=0.82100000 Z=0.00000000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000