F LATTICE,NONEQUIV.ATOMS 5 219 F-43c MODE OF CALC=RELA unit=bohr 32.951155 32.951155 32.951155 90.000000 90.000000 90.000000 ATOM 1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 2 1: X=0.25000000 Y=0.75000000 Z=0.25000000 Ge NPT= 781 R0=.000050000 RMT= 2.05 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 2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 2 2: X=0.00000000 Y=0.00000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.05 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 -3: X=0.08017000 Y=0.08017000 Z=0.08017000 MULT= 8 ISPLIT= 4 -3: X=0.08017000 Y=0.91983000 Z=0.41983000 -3: X=0.08017000 Y=0.91983000 Z=0.91983000 -3: X=0.91983000 Y=0.91983000 Z=0.08017000 -3: X=0.91983000 Y=0.91983000 Z=0.58017000 -3: X=0.91983000 Y=0.08017000 Z=0.41983000 -3: X=0.91983000 Y=0.08017000 Z=0.91983000 -3: X=0.08017000 Y=0.08017000 Z=0.58017000 Ge NPT= 781 R0=.000050000 RMT= 2.05 Z: 32.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.31896000 Y=0.31896000 Z=0.31896000 MULT= 8 ISPLIT= 4 -4: X=0.31896000 Y=0.68104000 Z=0.18104000 -4: X=0.31896000 Y=0.68104000 Z=0.68104000 -4: X=0.68104000 Y=0.68104000 Z=0.31896000 -4: X=0.68104000 Y=0.68104000 Z=0.81896000 -4: X=0.68104000 Y=0.31896000 Z=0.18104000 -4: X=0.68104000 Y=0.31896000 Z=0.68104000 -4: X=0.31896000 Y=0.31896000 Z=0.81896000 Cl NPT= 781 R0=.000100000 RMT= 1.86 Z: 17.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -5: X=0.01773000 Y=0.11852000 Z=0.17715000 MULT=24 ISPLIT= 8 -5: X=0.11852000 Y=0.98227000 Z=0.32285000 -5: X=0.01773000 Y=0.88148000 Z=0.82285000 -5: X=0.17715000 Y=0.01773000 Z=0.11852000 -5: X=0.98227000 Y=0.88148000 Z=0.17715000 -5: X=0.88148000 Y=0.98227000 Z=0.67715000 -5: X=0.01773000 Y=0.82285000 Z=0.38148000 -5: X=0.88148000 Y=0.01773000 Z=0.32285000 -5: X=0.98227000 Y=0.11852000 Z=0.82285000 -5: X=0.82285000 Y=0.98227000 Z=0.11852000 -5: X=0.11852000 Y=0.01773000 Z=0.67715000 -5: X=0.98227000 Y=0.17715000 Z=0.38148000 -5: X=0.17715000 Y=0.98227000 Z=0.88148000 -5: X=0.98227000 Y=0.82285000 Z=0.61852000 -5: X=0.82285000 Y=0.01773000 Z=0.88148000 -5: X=0.01773000 Y=0.17715000 Z=0.61852000 -5: X=0.82285000 Y=0.11852000 Z=0.48227000 -5: X=0.11852000 Y=0.17715000 Z=0.01773000 -5: X=0.17715000 Y=0.88148000 Z=0.48227000 -5: X=0.88148000 Y=0.82285000 Z=0.01773000 -5: X=0.82285000 Y=0.88148000 Z=0.51773000 -5: X=0.88148000 Y=0.17715000 Z=0.98227000 -5: X=0.17715000 Y=0.11852000 Z=0.51773000 -5: X=0.11852000 Y=0.82285000 Z=0.98227000 Cl NPT= 781 R0=.000100000 RMT= 1.86 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000