P LATTICE,NONEQUIV.ATOMS 8 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=0.25270000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.74730000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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=0.24011000 Y=0.06588000 Z=0.74930000 MULT= 4 ISPLIT= 8 -2: X=0.06588000 Y=0.75989000 Z=0.25070000 -2: X=0.75989000 Y=0.93412000 Z=0.74930000 -2: X=0.93412000 Y=0.24011000 Z=0.25070000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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=0.26226000 Y=0.56807000 Z=0.24820000 MULT= 4 ISPLIT= 8 -3: X=0.56807000 Y=0.73774000 Z=0.75180000 -3: X=0.73774000 Y=0.43193000 Z=0.24820000 -3: X=0.43193000 Y=0.26226000 Z=0.75180000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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=0.12780000 Y=0.03415000 Z=0.24800000 MULT= 4 ISPLIT= 8 -4: X=0.03415000 Y=0.87220000 Z=0.75200000 -4: X=0.87220000 Y=0.96585000 Z=0.24800000 -4: X=0.96585000 Y=0.12780000 Z=0.75200000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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=0.46471000 Y=0.37046000 Z=0.25130000 MULT= 4 ISPLIT= 8 -5: X=0.37046000 Y=0.53529000 Z=0.74870000 -5: X=0.53529000 Y=0.62954000 Z=0.25130000 -5: X=0.62954000 Y=0.46471000 Z=0.74870000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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=0.39515000 Y=0.10648000 Z=0.24810000 MULT= 4 ISPLIT= 8 -6: X=0.10648000 Y=0.60485000 Z=0.75190000 -6: X=0.60485000 Y=0.89352000 Z=0.24810000 -6: X=0.89352000 Y=0.39515000 Z=0.75190000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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 -7: X=0.18200000 Y=0.31830000 Z=0.50050000 MULT= 4 ISPLIT= 8 -7: X=0.31830000 Y=0.81800000 Z=0.49950000 -7: X=0.81800000 Y=0.68170000 Z=0.50050000 -7: X=0.68170000 Y=0.18200000 Z=0.49950000 Ta NPT= 781 R0=.000005000 RMT= 2.49 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 -8: X=0.18220000 Y=0.31830000 Z=0.00050000 MULT= 4 ISPLIT= 8 -8: X=0.31830000 Y=0.81780000 Z=0.99950000 -8: X=0.81780000 Y=0.68170000 Z=0.00050000 -8: X=0.68170000 Y=0.18220000 Z=0.99950000 Ta NPT= 781 R0=.000005000 RMT= 2.49 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000