R LATTICE,NONEQUIV.ATOMS 7 166 R-3m MODE OF CALC=RELA unit=bohr 7.759216 7.759216136.381537 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.14650000 Y=0.14650000 Z=0.14650000 MULT= 2 ISPLIT= 4 -2: X=0.85350000 Y=0.85350000 Z=0.85350000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.23660000 Y=0.23660000 Z=0.23660000 MULT= 2 ISPLIT= 4 -3: X=0.76340000 Y=0.76340000 Z=0.76340000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.38150000 Y=0.38150000 Z=0.38150000 MULT= 2 ISPLIT= 4 -4: X=0.61850000 Y=0.61850000 Z=0.61850000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.07490000 Y=0.07490000 Z=0.07490000 MULT= 2 ISPLIT= 4 -5: X=0.92510000 Y=0.92510000 Z=0.92510000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 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=0.30790000 Y=0.30790000 Z=0.30790000 MULT= 2 ISPLIT= 4 -6: X=0.69210000 Y=0.69210000 Z=0.69210000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 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 -7: X=0.45950000 Y=0.45950000 Z=0.45950000 MULT= 2 ISPLIT= 4 -7: X=0.54050000 Y=0.54050000 Z=0.54050000 As NPT= 781 R0=.000050000 RMT= 2.50000 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000