P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 13.026638 11.572872 14.678448 90.000000 90.000000 91.225000 ATOM -1: X=0.32630000 Y=0.13880000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.67370000 Y=0.86120000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.92 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 -2: X=0.18790000 Y=0.26190000 Z=0.02000000 MULT= 4 ISPLIT= 8 -2: X=0.81210000 Y=0.73810000 Z=0.98000000 -2: X=0.81210000 Y=0.73810000 Z=0.52000000 -2: X=0.18790000 Y=0.26190000 Z=0.48000000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.63430000 Y=0.26400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.36570000 Y=0.73600000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.32430000 Y=0.78740000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.67570000 Y=0.21260000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000