P LATTICE,NONEQUIV.ATOMS 10 4 P21 MODE OF CALC=RELA unit=bohr 18.708667 12.509987 13.994934 90.000000 90.000000 92.108000 ATOM -1: X=0.01988000 Y=0.20601000 Z=0.27391000 MULT= 2 ISPLIT= 8 -1: X=0.98012000 Y=0.79399000 Z=0.77391000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.49840000 Y=0.29830000 Z=0.52360000 MULT= 2 ISPLIT= 8 -2: X=0.50160000 Y=0.70170000 Z=0.02360000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.17420000 Y=0.31240000 Z=0.81480000 MULT= 2 ISPLIT= 8 -3: X=0.82580000 Y=0.68760000 Z=0.31480000 P NPT= 781 R0=.000100000 RMT= 1.80 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.29970000 Y=0.20440000 Z=0.04090000 MULT= 2 ISPLIT= 8 -4: X=0.70030000 Y=0.79560000 Z=0.54090000 P NPT= 781 R0=.000100000 RMT= 1.80 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.01360000 Y=0.65850000 Z=0.42870000 MULT= 2 ISPLIT= 8 -5: X=0.98640000 Y=0.34150000 Z=0.92870000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.17410000 Y=0.08730000 Z=0.62620000 MULT= 2 ISPLIT= 8 -6: X=0.82590000 Y=0.91270000 Z=0.12620000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.74580000 Y=0.42510000 Z=0.22680000 MULT= 2 ISPLIT= 8 -7: X=0.25420000 Y=0.57490000 Z=0.72680000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.19290000 Y=0.94790000 Z=0.12290000 MULT= 2 ISPLIT= 8 -8: X=0.80710000 Y=0.05210000 Z=0.62290000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.26950000 Y=0.41550000 Z=0.23410000 MULT= 2 ISPLIT= 8 -9: X=0.73050000 Y=0.58450000 Z=0.73410000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.51340000 Y=0.82300000 Z=0.45920000 MULT= 2 ISPLIT= 8 -10: X=0.48660000 Y=0.17700000 Z=0.95920000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000