F LATTICE,NONEQUIV.ATOMS 5 70 Fddd MODE OF CALC=RELA unit=bohr 16.393374 28.470614 34.502620 90.000000 90.000000 90.000000 ATOM -1: X=0.12500000 Y=0.12500000 Z=0.00264000 MULT= 4 ISPLIT= 8 -1: X=0.87500000 Y=0.87500000 Z=0.99736000 -1: X=0.87500000 Y=0.37500000 Z=0.25264000 -1: X=0.12500000 Y=0.12500000 Z=0.24736000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.12500000 Y=0.12500000 Z=0.50106000 MULT= 4 ISPLIT= 8 -2: X=0.87500000 Y=0.87500000 Z=0.49894000 -2: X=0.87500000 Y=0.37500000 Z=0.75106000 -2: X=0.12500000 Y=0.12500000 Z=0.74894000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.37268000 Y=0.04208000 Z=0.12222000 MULT= 8 ISPLIT= 8 -3: X=0.62732000 Y=0.95792000 Z=0.87778000 -3: X=0.62268000 Y=0.29208000 Z=0.87778000 -3: X=0.87732000 Y=0.20792000 Z=0.12222000 -3: X=0.62732000 Y=0.29208000 Z=0.37222000 -3: X=0.37268000 Y=0.20792000 Z=0.12778000 -3: X=0.87732000 Y=0.04208000 Z=0.12778000 -3: X=0.62268000 Y=0.95792000 Z=0.37222000 Ge NPT= 781 R0=.000050000 RMT= 2.34 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 -4: X=0.12500000 Y=0.29100000 Z=0.12500000 MULT= 4 ISPLIT= 8 -4: X=0.87500000 Y=0.70900000 Z=0.87500000 -4: X=0.37500000 Y=0.54100000 Z=0.87500000 -4: X=0.12500000 Y=0.95900000 Z=0.12500000 Ge NPT= 781 R0=.000050000 RMT= 2.34 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=0.12500000 Y=0.45820000 Z=0.12500000 MULT= 4 ISPLIT= 8 -5: X=0.87500000 Y=0.54180000 Z=0.87500000 -5: X=0.37500000 Y=0.70820000 Z=0.87500000 -5: X=0.12500000 Y=0.79180000 Z=0.12500000 Li NPT= 781 R0=.000100000 RMT= 2.01 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000