P LATTICE,NONEQUIV.ATOMS 4 116 P-4c2 MODE OF CALC=RELA unit=bohr 12.426461 12.426461 13.739443 90.000000 90.000000 90.000000 ATOM -1: X=0.02892000 Y=0.26204000 Z=0.10280000 MULT= 8 ISPLIT= 8 -1: X=0.26204000 Y=0.97108000 Z=0.89720000 -1: X=0.97108000 Y=0.26204000 Z=0.60280000 -1: X=0.97108000 Y=0.73796000 Z=0.10280000 -1: X=0.26204000 Y=0.02892000 Z=0.39720000 -1: X=0.73796000 Y=0.02892000 Z=0.89720000 -1: X=0.02892000 Y=0.73796000 Z=0.60280000 -1: X=0.73796000 Y=0.97108000 Z=0.39720000 Si NPT= 781 R0=.000100000 RMT= 1.37 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=0.18741000 Y=0.13395000 Z=0.59708000 MULT= 8 ISPLIT= 8 -2: X=0.13395000 Y=0.81259000 Z=0.40292000 -2: X=0.81259000 Y=0.13395000 Z=0.09708000 -2: X=0.81259000 Y=0.86605000 Z=0.59708000 -2: X=0.13395000 Y=0.18741000 Z=0.90292000 -2: X=0.86605000 Y=0.18741000 Z=0.40292000 -2: X=0.18741000 Y=0.86605000 Z=0.09708000 -2: X=0.86605000 Y=0.81259000 Z=0.90292000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.50000000 Z=0.09693000 MULT= 4 ISPLIT= 8 -3: X=0.50000000 Y=0.00000000 Z=0.90307000 -3: X=0.00000000 Y=0.50000000 Z=0.59693000 -3: X=0.50000000 Y=0.00000000 Z=0.40307000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.20001000 Y=0.20001000 Z=0.25000000 MULT= 4 ISPLIT= 8 -4: X=0.20001000 Y=0.79999000 Z=0.75000000 -4: X=0.79999000 Y=0.20001000 Z=0.75000000 -4: X=0.79999000 Y=0.79999000 Z=0.25000000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000