P LATTICE,NONEQUIV.ATOMS 4 113 P-421m MODE OF CALC=RELA unit=bohr 19.277096 19.277096 10.029721 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.24700000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.75300000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 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=0.06740000 Y=0.23890000 Z=0.24600000 MULT= 8 ISPLIT= 8 -2: X=0.23890000 Y=0.93260000 Z=0.75400000 -2: X=0.56740000 Y=0.26110000 Z=0.75400000 -2: X=0.93260000 Y=0.76110000 Z=0.24600000 -2: X=0.26110000 Y=0.43260000 Z=0.24600000 -2: X=0.76110000 Y=0.06740000 Z=0.75400000 -2: X=0.43260000 Y=0.73890000 Z=0.75400000 -2: X=0.73890000 Y=0.56740000 Z=0.24600000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 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 -3: X=0.53430000 Y=0.37140000 Z=0.24100000 MULT= 8 ISPLIT= 8 -3: X=0.37140000 Y=0.46570000 Z=0.75900000 -3: X=0.03430000 Y=0.12860000 Z=0.75900000 -3: X=0.46570000 Y=0.62860000 Z=0.24100000 -3: X=0.12860000 Y=0.96570000 Z=0.24100000 -3: X=0.62860000 Y=0.53430000 Z=0.75900000 -3: X=0.96570000 Y=0.87140000 Z=0.75900000 -3: X=0.87140000 Y=0.03430000 Z=0.24100000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 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=0.60430000 Y=0.10430000 Z=0.24600000 MULT= 4 ISPLIT= 8 -4: X=0.10430000 Y=0.39570000 Z=0.75400000 -4: X=0.39570000 Y=0.89570000 Z=0.24600000 -4: X=0.89570000 Y=0.60430000 Z=0.75400000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000