P LATTICE,NONEQUIV.ATOMS 6 113 P-421m MODE OF CALC=RELA unit=bohr 19.295994 19.295994 10.027643 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.27200000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.72800000 Ta NPT= 781 R0=.000005000 RMT= 2.46 Z: 73.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.18580000 Y=0.68580000 Z=0.50260000 MULT= 4 ISPLIT= 8 -2: X=0.68580000 Y=0.81420000 Z=0.49740000 -2: X=0.81420000 Y=0.31420000 Z=0.50260000 -2: X=0.31420000 Y=0.18580000 Z=0.49740000 Ta NPT= 781 R0=.000005000 RMT= 2.46 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.53430000 Y=0.37330000 Z=0.24540000 MULT= 8 ISPLIT= 8 -3: X=0.37330000 Y=0.46570000 Z=0.75460000 -3: X=0.03430000 Y=0.12670000 Z=0.75460000 -3: X=0.46570000 Y=0.62670000 Z=0.24540000 -3: X=0.12670000 Y=0.96570000 Z=0.24540000 -3: X=0.62670000 Y=0.53430000 Z=0.75460000 -3: X=0.96570000 Y=0.87330000 Z=0.75460000 -3: X=0.87330000 Y=0.03430000 Z=0.24540000 Ta NPT= 781 R0=.000005000 RMT= 2.46 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.60330000 Y=0.10330000 Z=0.26400000 MULT= 4 ISPLIT= 8 -4: X=0.10330000 Y=0.39670000 Z=0.73600000 -4: X=0.39670000 Y=0.89670000 Z=0.26400000 -4: X=0.89670000 Y=0.60330000 Z=0.73600000 Ta NPT= 781 R0=.000005000 RMT= 2.46 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -5: X=0.06770000 Y=0.24020000 Z=0.26500000 MULT= 8 ISPLIT= 8 -5: X=0.24020000 Y=0.93230000 Z=0.73500000 -5: X=0.56770000 Y=0.25980000 Z=0.73500000 -5: X=0.93230000 Y=0.75980000 Z=0.26500000 -5: X=0.25980000 Y=0.43230000 Z=0.26500000 -5: X=0.75980000 Y=0.06770000 Z=0.73500000 -5: X=0.43230000 Y=0.74020000 Z=0.73500000 -5: X=0.74020000 Y=0.56770000 Z=0.26500000 Ta NPT= 781 R0=.000005000 RMT= 2.46 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.18040000 Y=0.68040000 Z=0.00880000 MULT= 4 ISPLIT= 8 -6: X=0.68040000 Y=0.81960000 Z=0.99120000 -6: X=0.81960000 Y=0.31960000 Z=0.00880000 -6: X=0.31960000 Y=0.18040000 Z=0.99120000 Ta NPT= 781 R0=.000005000 RMT= 2.46 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000