F LATTICE,NONEQUIV.ATOMS 6 43 Fdd2 MODE OF CALC=RELA unit=bohr 22.827136 42.953475 12.926672 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.25000000 Y=0.25000000 Z=0.25000000 Ge NPT= 781 R0=.000050000 RMT= 2.27 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=0.12300000 Y=0.11250000 Z=0.28210000 MULT= 4 ISPLIT= 8 -2: X=0.87700000 Y=0.88750000 Z=0.28210000 -2: X=0.12700000 Y=0.36250000 Z=0.53210000 -2: X=0.37300000 Y=0.13750000 Z=0.53210000 Ga NPT= 781 R0=.000050000 RMT= 2.24 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.35000000 Y=0.06100000 Z=0.01700000 MULT= 4 ISPLIT= 8 -3: X=0.65000000 Y=0.93900000 Z=0.01700000 -3: X=0.90000000 Y=0.31100000 Z=0.26700000 -3: X=0.60000000 Y=0.18900000 Z=0.26700000 Li NPT= 781 R0=.000100000 RMT= 2.03 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.20120000 Y=0.17360000 Z=0.06110000 MULT= 4 ISPLIT= 8 -4: X=0.79880000 Y=0.82640000 Z=0.06110000 -4: X=0.04880000 Y=0.42360000 Z=0.31110000 -4: X=0.45120000 Y=0.07640000 Z=0.31110000 S NPT= 781 R0=.000100000 RMT= 1.93 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.19420000 Y=0.11900000 Z=0.58080000 MULT= 4 ISPLIT= 8 -5: X=0.80580000 Y=0.88100000 Z=0.58080000 -5: X=0.05580000 Y=0.36900000 Z=0.83080000 -5: X=0.44420000 Y=0.13100000 Z=0.83080000 S NPT= 781 R0=.000100000 RMT= 1.93 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.15350000 Y=0.02080000 Z=0.18220000 MULT= 4 ISPLIT= 8 -6: X=0.84650000 Y=0.97920000 Z=0.18220000 -6: X=0.09650000 Y=0.27080000 Z=0.43220000 -6: X=0.40350000 Y=0.22920000 Z=0.43220000 S NPT= 781 R0=.000100000 RMT= 1.93 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000