P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 10.361179 7.664729 14.713975 90.000000 90.000000 90.000000 ATOM -1: X=0.16511000 Y=0.25000000 Z=0.06662000 MULT= 4 ISPLIT= 8 -1: X=0.83489000 Y=0.75000000 Z=0.93338000 -1: X=0.66511000 Y=0.25000000 Z=0.43338000 -1: X=0.33489000 Y=0.75000000 Z=0.56662000 Pd NPT= 781 R0=.000010000 RMT= 2.45 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 -2: X=0.04293000 Y=0.25000000 Z=0.71063000 MULT= 4 ISPLIT= 8 -2: X=0.95707000 Y=0.75000000 Z=0.28937000 -2: X=0.54293000 Y=0.25000000 Z=0.78937000 -2: X=0.45707000 Y=0.75000000 Z=0.21063000 Pd NPT= 781 R0=.000010000 RMT= 2.45 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=0.20160000 Y=0.25000000 Z=0.39316000 MULT= 4 ISPLIT= 8 -3: X=0.79840000 Y=0.75000000 Z=0.60684000 -3: X=0.70160000 Y=0.25000000 Z=0.10684000 -3: X=0.29840000 Y=0.75000000 Z=0.89316000 Ga NPT= 781 R0=.000050000 RMT= 2.33 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000