P LATTICE,NONEQUIV.ATOMS 14 2 P-1 MODE OF CALC=RELA unit=bohr 17.807834 18.255888 19.632176 89.158000 83.456000 79.315000 ATOM -1: X=0.36141000 Y=0.27839000 Z=0.58431000 MULT= 2 ISPLIT= 8 -1: X=0.63859000 Y=0.72161000 Z=0.41569000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.09809000 Y=0.06540000 Z=0.84933000 MULT= 2 ISPLIT= 8 -2: X=0.90191000 Y=0.93460000 Z=0.15067000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.09350000 Y=0.46033000 Z=0.14666000 MULT= 2 ISPLIT= 8 -3: X=0.90650000 Y=0.53967000 Z=0.85334000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.48659000 Y=0.11777000 Z=0.14575000 MULT= 2 ISPLIT= 8 -4: X=0.51341000 Y=0.88223000 Z=0.85425000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.31747000 Y=0.78855000 Z=0.26046000 MULT= 2 ISPLIT= 8 -5: X=0.68253000 Y=0.21145000 Z=0.73954000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.19778000 Y=0.64560000 Z=0.65303000 MULT= 2 ISPLIT= 8 -6: X=0.80222000 Y=0.35440000 Z=0.34697000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.08850000 Y=0.07180000 Z=0.48620000 MULT= 2 ISPLIT= 8 -7: X=0.91150000 Y=0.92820000 Z=0.51380000 Si NPT= 781 R0=.000100000 RMT= 1.98 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.57560000 Y=0.48320000 Z=0.08280000 MULT= 2 ISPLIT= 8 -8: X=0.42440000 Y=0.51680000 Z=0.91720000 Si NPT= 781 R0=.000100000 RMT= 1.98 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.42059000 Y=0.43359000 Z=0.28429000 MULT= 2 ISPLIT= 8 -9: X=0.57941000 Y=0.56641000 Z=0.71571000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.68370000 Y=0.70126000 Z=0.09206000 MULT= 2 ISPLIT= 8 -10: X=0.31630000 Y=0.29874000 Z=0.90794000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.00174000 Y=0.70386000 Z=0.39194000 MULT= 2 ISPLIT= 8 -11: X=0.99826000 Y=0.29614000 Z=0.60806000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.69047000 Y=0.05847000 Z=0.42090000 MULT= 2 ISPLIT= 8 -12: X=0.30953000 Y=0.94153000 Z=0.57910000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.12824000 Y=0.11958000 Z=0.24791000 MULT= 2 ISPLIT= 8 -13: X=0.87176000 Y=0.88042000 Z=0.75209000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.77787000 Y=0.27604000 Z=0.02701000 MULT= 2 ISPLIT= 8 -14: X=0.22213000 Y=0.72396000 Z=0.97299000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000