P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 13.551604 8.163239 14.171623 90.000000 90.000000 90.000000 ATOM -1: X=0.00320000 Y=0.25000000 Z=0.71580000 MULT= 4 ISPLIT=15 -1: X=0.99680000 Y=0.75000000 Z=0.28420000 -1: X=0.50320000 Y=0.25000000 Z=0.78420000 -1: X=0.49680000 Y=0.75000000 Z=0.21580000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.21040000 Y=0.25000000 Z=0.09070000 MULT= 4 ISPLIT=15 -2: X=0.78960000 Y=0.75000000 Z=0.90930000 -2: X=0.71040000 Y=0.25000000 Z=0.40930000 -2: X=0.28960000 Y=0.75000000 Z=0.59070000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.28390000 Y=0.25000000 Z=0.41870000 MULT= 4 ISPLIT=15 -3: X=0.71610000 Y=0.75000000 Z=0.58130000 -3: X=0.78390000 Y=0.25000000 Z=0.08130000 -3: X=0.21610000 Y=0.75000000 Z=0.91870000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000