CXZ LATTICE,NONEQUIV.ATOMS 6 12 B2/m MODE OF CALC=RELA unit=bohr 28.596470 15.686617 7.678902 90.000000 90.000000 71.750000 ATOM -1: X=0.92906000 Y=0.27446000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.07094000 Y=0.72554000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.73179000 Y=0.58196000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.26821000 Y=0.41804000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.57431000 Y=0.02587000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.42569000 Y=0.97413000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.56396000 Y=0.37414000 Z=0.00000000 MULT= 2 ISPLIT=15 -4: X=0.43604000 Y=0.62586000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.84117000 Y=0.70518000 Z=0.00000000 MULT= 2 ISPLIT=15 -5: X=0.15883000 Y=0.29482000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.82145000 Y=0.00165000 Z=0.00000000 MULT= 2 ISPLIT=15 -6: X=0.17855000 Y=0.99835000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000