F LATTICE,NONEQUIV.ATOMS 2 43 Fdd2 MODE OF CALC=RELA unit=bohr 22.204282 31.161584 12.802895 90.000000 90.000000 90.000000 ATOM -1: X=0.32490000 Y=0.04800000 Z=0.06180000 MULT= 4 ISPLIT= 8 -1: X=0.67510000 Y=0.95200000 Z=0.06180000 -1: X=0.92510000 Y=0.29800000 Z=0.31180000 -1: X=0.57490000 Y=0.20200000 Z=0.31180000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 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= 2 ISPLIT= 8 -2: X=0.25000000 Y=0.25000000 Z=0.25000000 Se NPT= 781 R0=.000050000 RMT= 2.50000 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000