P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 16.330257 9.392884 12.551561 90.000000 90.000000 90.000000 ATOM -1: X=0.03383000 Y=0.25000000 Z=0.13306000 MULT= 4 ISPLIT= 8 -1: X=0.96617000 Y=0.75000000 Z=0.86694000 -1: X=0.53383000 Y=0.25000000 Z=0.36694000 -1: X=0.46617000 Y=0.75000000 Z=0.63306000 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=0.18067000 Y=0.25000000 Z=0.61762000 MULT= 4 ISPLIT= 8 -2: X=0.81933000 Y=0.75000000 Z=0.38238000 -2: X=0.68067000 Y=0.25000000 Z=0.88238000 -2: X=0.31933000 Y=0.75000000 Z=0.11762000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000