CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 7.759216 19.961177 23.135917 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.71500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.28500000 Z=0.75000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.24500000 Z=0.04900000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.75500000 Z=0.95100000 -2: X=0.00000000 Y=0.24500000 Z=0.45100000 -2: X=0.00000000 Y=0.75500000 Z=0.54900000 Si NPT= 781 R0=.000100000 RMT= 2.22 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.43400000 Z=0.15300000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.56600000 Z=0.84700000 -3: X=0.00000000 Y=0.43400000 Z=0.34700000 -3: X=0.00000000 Y=0.56600000 Z=0.65300000 Si NPT= 781 R0=.000100000 RMT= 2.22 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.02700000 Z=0.09400000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.97300000 Z=0.90600000 -4: X=0.00000000 Y=0.02700000 Z=0.40600000 -4: X=0.00000000 Y=0.97300000 Z=0.59400000 Si NPT= 781 R0=.000100000 RMT= 2.22 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000