P LATTICE,NONEQUIV.ATOMS 5 59 Pmmn MODE OF CALC=RELA unit=bohr 13.566344 24.553212 11.568903 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.79967000 MULT= 2 ISPLIT= 8 -1: X=0.75000000 Y=0.75000000 Z=0.20033000 Au NPT= 781 R0=.000005000 RMT= 2.50000 Z: 79.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.06174000 Y=0.25000000 Z=0.43284000 MULT= 4 ISPLIT= 8 -2: X=0.93826000 Y=0.75000000 Z=0.56716000 -2: X=0.56174000 Y=0.75000000 Z=0.56716000 -2: X=0.43826000 Y=0.25000000 Z=0.43284000 Ge NPT= 781 R0=.000050000 RMT= 2.33 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 -3: X=0.25000000 Y=0.14485000 Z=0.16302000 MULT= 4 ISPLIT= 8 -3: X=0.75000000 Y=0.85515000 Z=0.83698000 -3: X=0.75000000 Y=0.64485000 Z=0.83698000 -3: X=0.25000000 Y=0.35515000 Z=0.16302000 Ge NPT= 781 R0=.000050000 RMT= 2.33 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.25000000 Y=0.51690000 Z=0.65734000 MULT= 4 ISPLIT= 8 -4: X=0.75000000 Y=0.48310000 Z=0.34266000 -4: X=0.75000000 Y=0.01690000 Z=0.34266000 -4: X=0.25000000 Y=0.98310000 Z=0.65734000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.25000000 Y=0.75000000 Z=0.07269000 MULT= 2 ISPLIT= 8 -5: X=0.75000000 Y=0.25000000 Z=0.92731000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000