R LATTICE,NONEQUIV.ATOMS 2 167 R-3c MODE OF CALC=RELA unit=bohr 9.471308 9.471308 24.547544 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 1.82 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=0.64247000 Y=0.85753000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.35753000 Y=0.14247000 Z=0.75000000 -2: X=0.85753000 Y=0.25000000 Z=0.64247000 -2: X=0.14247000 Y=0.75000000 Z=0.35753000 -2: X=0.25000000 Y=0.64247000 Z=0.85753000 -2: X=0.75000000 Y=0.35753000 Z=0.14247000 F NPT= 781 R0=.000100000 RMT= 1.73 Z: 9.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000