F LATTICE,NONEQUIV.ATOMS 2 69 Fmmm MODE OF CALC=RELA unit=bohr 3.964267 7.143165 19.464179 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.32168000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.00000000 Z=0.67832000 Be NPT= 781 R0=.000100000 RMT= 1.69 Z: 4.00000 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= 1 ISPLIT= 8 Zn NPT= 781 R0=.000050000 RMT= 1.97 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000