P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 10.807344 6.986318 11.497094 90.000000 90.000000 90.000000 ATOM -1: X=0.31500000 Y=0.25000000 Z=0.59000000 MULT= 4 ISPLIT= 8 -1: X=0.68500000 Y=0.75000000 Z=0.41000000 -1: X=0.81500000 Y=0.25000000 Z=0.91000000 -1: X=0.18500000 Y=0.75000000 Z=0.09000000 Ge NPT= 781 R0=.000050000 RMT= 2.21 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00050000 Y=0.25000000 Z=0.30920000 MULT= 4 ISPLIT= 8 -2: X=0.99950000 Y=0.75000000 Z=0.69080000 -2: X=0.50050000 Y=0.25000000 Z=0.19080000 -2: X=0.49950000 Y=0.75000000 Z=0.80920000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000