P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 14.078460 26.985289 14.135151 90.000000 90.000000 90.000000 ATOM -1: X=0.12000000 Y=0.61700000 Z=0.16000000 MULT= 8 ISPLIT=15 -1: X=0.88000000 Y=0.38300000 Z=0.84000000 -1: X=0.62000000 Y=0.61700000 Z=0.34000000 -1: X=0.38000000 Y=0.38300000 Z=0.66000000 -1: X=0.38000000 Y=0.11700000 Z=0.66000000 -1: X=0.62000000 Y=0.88300000 Z=0.34000000 -1: X=0.88000000 Y=0.11700000 Z=0.84000000 -1: X=0.12000000 Y=0.88300000 Z=0.16000000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.03100000 Y=0.09900000 Z=0.32400000 MULT= 8 ISPLIT=15 -2: X=0.96900000 Y=0.90100000 Z=0.67600000 -2: X=0.53100000 Y=0.09900000 Z=0.17600000 -2: X=0.46900000 Y=0.90100000 Z=0.82400000 -2: X=0.46900000 Y=0.59900000 Z=0.82400000 -2: X=0.53100000 Y=0.40100000 Z=0.17600000 -2: X=0.96900000 Y=0.59900000 Z=0.67600000 -2: X=0.03100000 Y=0.40100000 Z=0.32400000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.21500000 Y=0.25000000 Z=0.00100000 MULT= 4 ISPLIT=15 -3: X=0.78500000 Y=0.75000000 Z=0.99900000 -3: X=0.71500000 Y=0.25000000 Z=0.49900000 -3: X=0.28500000 Y=0.75000000 Z=0.50100000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28000000 Y=0.54400000 Z=0.46900000 MULT= 8 ISPLIT=15 -4: X=0.72000000 Y=0.45600000 Z=0.53100000 -4: X=0.78000000 Y=0.54400000 Z=0.03100000 -4: X=0.22000000 Y=0.45600000 Z=0.96900000 -4: X=0.22000000 Y=0.04400000 Z=0.96900000 -4: X=0.78000000 Y=0.95600000 Z=0.03100000 -4: X=0.72000000 Y=0.04400000 Z=0.53100000 -4: X=0.28000000 Y=0.95600000 Z=0.46900000 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 ATOM -5: X=0.08400000 Y=0.25000000 Z=0.61600000 MULT= 4 ISPLIT=15 -5: X=0.91600000 Y=0.75000000 Z=0.38400000 -5: X=0.58400000 Y=0.25000000 Z=0.88400000 -5: X=0.41600000 Y=0.75000000 Z=0.11600000 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 ATOM -6: X=0.33500000 Y=0.25000000 Z=0.36400000 MULT= 4 ISPLIT=15 -6: X=0.66500000 Y=0.75000000 Z=0.63600000 -6: X=0.83500000 Y=0.25000000 Z=0.13600000 -6: X=0.16500000 Y=0.75000000 Z=0.86400000 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