P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 13.249437 25.607679 13.558029 90.000000 90.000000 90.000000 ATOM -1: X=0.00270000 Y=0.09484000 Z=0.67360000 MULT= 8 ISPLIT= 8 -1: X=0.99730000 Y=0.90516000 Z=0.32640000 -1: X=0.50270000 Y=0.09484000 Z=0.82640000 -1: X=0.49730000 Y=0.90516000 Z=0.17360000 -1: X=0.49730000 Y=0.59484000 Z=0.17360000 -1: X=0.50270000 Y=0.40516000 Z=0.82640000 -1: X=0.99730000 Y=0.59484000 Z=0.32640000 -1: X=0.00270000 Y=0.40516000 Z=0.67360000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.16470000 Y=0.25000000 Z=0.01130000 MULT= 4 ISPLIT= 8 -2: X=0.83530000 Y=0.75000000 Z=0.98870000 -2: X=0.66470000 Y=0.25000000 Z=0.48870000 -2: X=0.33530000 Y=0.75000000 Z=0.51130000 Nb NPT= 781 R0=.000010000 RMT= 2.48 Z: 41.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.33990000 Y=0.12645000 Z=0.32840000 MULT= 8 ISPLIT= 8 -3: X=0.66010000 Y=0.87355000 Z=0.67160000 -3: X=0.83990000 Y=0.12645000 Z=0.17160000 -3: X=0.16010000 Y=0.87355000 Z=0.82840000 -3: X=0.16010000 Y=0.62645000 Z=0.82840000 -3: X=0.83990000 Y=0.37355000 Z=0.17160000 -3: X=0.66010000 Y=0.62645000 Z=0.67160000 -3: X=0.33990000 Y=0.37355000 Z=0.32840000 Nb NPT= 781 R0=.000010000 RMT= 2.48 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.30460000 Y=0.25000000 Z=0.63700000 MULT= 4 ISPLIT= 8 -4: X=0.69540000 Y=0.75000000 Z=0.36300000 -4: X=0.80460000 Y=0.25000000 Z=0.86300000 -4: X=0.19540000 Y=0.75000000 Z=0.13700000 Ge NPT= 781 R0=.000050000 RMT= 2.46 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 -5: X=0.04030000 Y=0.25000000 Z=0.37850000 MULT= 4 ISPLIT= 8 -5: X=0.95970000 Y=0.75000000 Z=0.62150000 -5: X=0.54030000 Y=0.25000000 Z=0.12150000 -5: X=0.45970000 Y=0.75000000 Z=0.87850000 Ge NPT= 781 R0=.000050000 RMT= 2.46 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 -6: X=0.17390000 Y=0.04157000 Z=0.03900000 MULT= 8 ISPLIT= 8 -6: X=0.82610000 Y=0.95843000 Z=0.96100000 -6: X=0.67390000 Y=0.04157000 Z=0.46100000 -6: X=0.32610000 Y=0.95843000 Z=0.53900000 -6: X=0.32610000 Y=0.54157000 Z=0.53900000 -6: X=0.67390000 Y=0.45843000 Z=0.46100000 -6: X=0.82610000 Y=0.54157000 Z=0.96100000 -6: X=0.17390000 Y=0.45843000 Z=0.03900000 Ge NPT= 781 R0=.000050000 RMT= 2.46 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000