P LATTICE,NONEQUIV.ATOMS 6 81 P-4 MODE OF CALC=RELA unit=bohr 19.240247 19.240247 10.006100 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.24520000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.75480000 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 -2: X=0.24037000 Y=0.06646000 Z=0.74930000 MULT= 4 ISPLIT= 8 -2: X=0.06646000 Y=0.75963000 Z=0.25070000 -2: X=0.75963000 Y=0.93354000 Z=0.74930000 -2: X=0.93354000 Y=0.24037000 Z=0.25070000 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=0.26252000 Y=0.56749000 Z=0.24790000 MULT= 4 ISPLIT= 8 -3: X=0.56749000 Y=0.73748000 Z=0.75210000 -3: X=0.73748000 Y=0.43251000 Z=0.24790000 -3: X=0.43251000 Y=0.26252000 Z=0.75210000 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=0.12735000 Y=0.03408000 Z=0.24810000 MULT= 4 ISPLIT= 8 -4: X=0.03408000 Y=0.87265000 Z=0.75190000 -4: X=0.87265000 Y=0.96592000 Z=0.24810000 -4: X=0.96592000 Y=0.12735000 Z=0.75190000 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 -5: X=0.46473000 Y=0.37007000 Z=0.25120000 MULT= 4 ISPLIT= 8 -5: X=0.37007000 Y=0.53527000 Z=0.74880000 -5: X=0.53527000 Y=0.62993000 Z=0.25120000 -5: X=0.62993000 Y=0.46473000 Z=0.74880000 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 -6: X=0.39491000 Y=0.10620000 Z=0.24870000 MULT= 4 ISPLIT= 8 -6: X=0.10620000 Y=0.60509000 Z=0.75130000 -6: X=0.60509000 Y=0.89380000 Z=0.24870000 -6: X=0.89380000 Y=0.39491000 Z=0.75130000 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