P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.333573 8.528334 16.268652 90.000000 90.000000 90.000000 ATOM -1: X=0.02900000 Y=0.25000000 Z=0.67800000 MULT= 4 ISPLIT= 8 -1: X=0.97100000 Y=0.75000000 Z=0.32200000 -1: X=0.52900000 Y=0.25000000 Z=0.82200000 -1: X=0.47100000 Y=0.75000000 Z=0.17800000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.27900000 Y=0.25000000 Z=0.37900000 MULT= 4 ISPLIT= 8 -2: X=0.72100000 Y=0.75000000 Z=0.62100000 -2: X=0.77900000 Y=0.25000000 Z=0.12100000 -2: X=0.22100000 Y=0.75000000 Z=0.87900000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.14600000 Y=0.25000000 Z=0.06600000 MULT= 4 ISPLIT= 8 -3: X=0.85400000 Y=0.75000000 Z=0.93400000 -3: X=0.64600000 Y=0.25000000 Z=0.43400000 -3: X=0.35400000 Y=0.75000000 Z=0.56600000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000