P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 15.266153 8.271520 11.650729 90.000000 90.000000 90.000000 ATOM -1: X=0.06000000 Y=0.25000000 Z=0.19000000 MULT= 4 ISPLIT= 8 -1: X=0.94000000 Y=0.75000000 Z=0.81000000 -1: X=0.56000000 Y=0.25000000 Z=0.31000000 -1: X=0.44000000 Y=0.75000000 Z=0.69000000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.18000000 Y=0.25000000 Z=0.65000000 MULT= 4 ISPLIT= 8 -2: X=0.82000000 Y=0.75000000 Z=0.35000000 -2: X=0.68000000 Y=0.25000000 Z=0.85000000 -2: X=0.32000000 Y=0.75000000 Z=0.15000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000