P LATTICE,NONEQUIV.ATOMS 11 81 P-4 MODE OF CALC=RELA unit=bohr 14.104916 14.104916 19.534099 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.29963000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.70037000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.50000000 Z=0.00330000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.99670000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.80470000 Y=0.11697000 Z=0.14934000 MULT= 4 ISPLIT= 8 -3: X=0.11697000 Y=0.19530000 Z=0.85066000 -3: X=0.19530000 Y=0.88303000 Z=0.14934000 -3: X=0.88303000 Y=0.80470000 Z=0.85066000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.38766000 Y=0.30622000 Z=0.15217000 MULT= 4 ISPLIT= 8 -4: X=0.30622000 Y=0.61234000 Z=0.84783000 -4: X=0.61234000 Y=0.69378000 Z=0.15217000 -4: X=0.69378000 Y=0.38766000 Z=0.84783000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.60234000 Y=0.27378000 Z=0.37828000 MULT= 4 ISPLIT= 8 -5: X=0.27378000 Y=0.39766000 Z=0.62172000 -5: X=0.39766000 Y=0.72622000 Z=0.37828000 -5: X=0.72622000 Y=0.60234000 Z=0.62172000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.22611000 Y=0.10226000 Z=0.37672000 MULT= 4 ISPLIT= 8 -6: X=0.10226000 Y=0.77389000 Z=0.62328000 -6: X=0.77389000 Y=0.89774000 Z=0.37672000 -6: X=0.89774000 Y=0.22611000 Z=0.62328000 Ag NPT= 781 R0=.000010000 RMT= 2.17 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.20720000 Y=0.06140000 Z=0.59800000 MULT= 4 ISPLIT= 8 -7: X=0.06140000 Y=0.79280000 Z=0.40200000 -7: X=0.79280000 Y=0.93860000 Z=0.59800000 -7: X=0.93860000 Y=0.20720000 Z=0.40200000 F NPT= 781 R0=.000100000 RMT= 1.96 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.28970000 Y=0.43820000 Z=0.39370000 MULT= 4 ISPLIT= 8 -8: X=0.43820000 Y=0.71030000 Z=0.60630000 -8: X=0.71030000 Y=0.56180000 Z=0.39370000 -8: X=0.56180000 Y=0.28970000 Z=0.60630000 F NPT= 781 R0=.000100000 RMT= 1.96 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.07590000 Y=0.22480000 Z=0.10840000 MULT= 4 ISPLIT= 8 -9: X=0.22480000 Y=0.92410000 Z=0.89160000 -9: X=0.92410000 Y=0.77520000 Z=0.10840000 -9: X=0.77520000 Y=0.07590000 Z=0.89160000 F NPT= 781 R0=.000100000 RMT= 1.96 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.29170000 Y=0.57320000 Z=0.09570000 MULT= 4 ISPLIT= 8 -10: X=0.57320000 Y=0.70830000 Z=0.90430000 -10: X=0.70830000 Y=0.42680000 Z=0.09570000 -10: X=0.42680000 Y=0.29170000 Z=0.90430000 F NPT= 781 R0=.000100000 RMT= 1.96 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.43030000 Y=0.03650000 Z=0.24370000 MULT= 4 ISPLIT= 8 -11: X=0.03650000 Y=0.56970000 Z=0.75630000 -11: X=0.56970000 Y=0.96350000 Z=0.24370000 -11: X=0.96350000 Y=0.43030000 Z=0.75630000 C NPT= 781 R0=.000100000 RMT= 1.10 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000