P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.566009 8.673843 15.860471 90.000000 90.000000 90.000000 ATOM -1: X=0.14400000 Y=0.25000000 Z=0.06610000 MULT= 4 ISPLIT= 8 -1: X=0.85600000 Y=0.75000000 Z=0.93390000 -1: X=0.64400000 Y=0.25000000 Z=0.43390000 -1: X=0.35600000 Y=0.75000000 Z=0.56610000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.01730000 Y=0.25000000 Z=0.69670000 MULT= 4 ISPLIT= 8 -2: X=0.98270000 Y=0.75000000 Z=0.30330000 -2: X=0.51730000 Y=0.25000000 Z=0.80330000 -2: X=0.48270000 Y=0.75000000 Z=0.19670000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.25920000 Y=0.25000000 Z=0.38870000 MULT= 4 ISPLIT= 8 -3: X=0.74080000 Y=0.75000000 Z=0.61130000 -3: X=0.75920000 Y=0.25000000 Z=0.11130000 -3: X=0.24080000 Y=0.75000000 Z=0.88870000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000