P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 24.010860 8.422698 14.686007 90.000000 90.000000 90.000000 ATOM -1: X=0.16521000 Y=0.25000000 Z=0.38214000 MULT= 4 ISPLIT= 8 -1: X=0.83479000 Y=0.75000000 Z=0.61786000 -1: X=0.66521000 Y=0.25000000 Z=0.11786000 -1: X=0.33479000 Y=0.75000000 Z=0.88214000 Ge NPT= 781 R0=.000050000 RMT= 2.24 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=0.35287000 Y=0.25000000 Z=0.40339000 MULT= 4 ISPLIT= 8 -2: X=0.64713000 Y=0.75000000 Z=0.59661000 -2: X=0.85287000 Y=0.25000000 Z=0.09661000 -2: X=0.14713000 Y=0.75000000 Z=0.90339000 Ge NPT= 781 R0=.000050000 RMT= 2.24 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=0.00490000 Y=0.25000000 Z=0.67220000 MULT= 4 ISPLIT= 8 -3: X=0.99510000 Y=0.75000000 Z=0.32780000 -3: X=0.50490000 Y=0.25000000 Z=0.82780000 -3: X=0.49510000 Y=0.75000000 Z=0.17220000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.28200000 Y=0.25000000 Z=0.06280000 MULT= 4 ISPLIT= 8 -4: X=0.71800000 Y=0.75000000 Z=0.93720000 -4: X=0.78200000 Y=0.25000000 Z=0.43720000 -4: X=0.21800000 Y=0.75000000 Z=0.56280000 Li NPT= 781 R0=.000100000 RMT= 2.12 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.06160000 Y=0.25000000 Z=0.07350000 MULT= 4 ISPLIT= 8 -5: X=0.93840000 Y=0.75000000 Z=0.92650000 -5: X=0.56160000 Y=0.25000000 Z=0.42650000 -5: X=0.43840000 Y=0.75000000 Z=0.57350000 Li NPT= 781 R0=.000100000 RMT= 2.12 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.25230000 Y=0.25000000 Z=0.72600000 MULT= 4 ISPLIT= 8 -6: X=0.74770000 Y=0.75000000 Z=0.27400000 -6: X=0.75230000 Y=0.25000000 Z=0.77400000 -6: X=0.24770000 Y=0.75000000 Z=0.22600000 Li NPT= 781 R0=.000100000 RMT= 2.12 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000