F LATTICE,NONEQUIV.ATOMS 3 43 Fdd2 MODE OF CALC=RELA unit=bohr 17.859802 26.010191 10.416170 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.48000000 MULT= 2 ISPLIT= 8 -1: X=0.25000000 Y=0.25000000 Z=0.73000000 Ga NPT= 781 R0=.000050000 RMT= 2.26 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 -2: X=0.31300000 Y=0.12000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.68700000 Y=0.88000000 Z=0.00000000 -2: X=0.93700000 Y=0.37000000 Z=0.25000000 -2: X=0.56300000 Y=0.13000000 Z=0.25000000 Ga NPT= 781 R0=.000050000 RMT= 2.26 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=0.07100000 Y=0.19600000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.92900000 Y=0.80400000 Z=0.25000000 -3: X=0.17900000 Y=0.44600000 Z=0.50000000 -3: X=0.32100000 Y=0.05400000 Z=0.50000000 Zr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 40.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000