P LATTICE,NONEQUIV.ATOMS 3 92 P41212 MODE OF CALC=RELA unit=bohr 10.397273 10.397273 14.751202 90.000000 90.000000 90.000000 ATOM -1: X=0.25700000 Y=0.25700000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.24300000 Y=0.75700000 Z=0.25000000 -1: X=0.75700000 Y=0.24300000 Z=0.75000000 -1: X=0.74300000 Y=0.74300000 Z=0.50000000 Al NPT= 781 R0=.000100000 RMT= 1.60 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.75700000 Y=0.75700000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.74300000 Y=0.25700000 Z=0.25000000 -2: X=0.25700000 Y=0.74300000 Z=0.75000000 -2: X=0.24300000 Y=0.24300000 Z=0.50000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.19100000 Y=0.00800000 Z=0.12000000 MULT= 8 ISPLIT= 8 -3: X=0.49200000 Y=0.69100000 Z=0.37000000 -3: X=0.69100000 Y=0.49200000 Z=0.63000000 -3: X=0.80900000 Y=0.99200000 Z=0.62000000 -3: X=0.00800000 Y=0.19100000 Z=0.88000000 -3: X=0.50800000 Y=0.30900000 Z=0.87000000 -3: X=0.30900000 Y=0.50800000 Z=0.13000000 -3: X=0.99200000 Y=0.80900000 Z=0.38000000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000