P LATTICE,NONEQUIV.ATOMS 10 1 P1 MODE OF CALC=RELA unit=bohr 7.434183 7.940251 11.776962 76.727000 86.272000 62.846000 ATOM -1: X=0.70430000 Y=0.68580000 Z=0.11740000 MULT= 1 ISPLIT= 8 Bi NPT= 781 R0=.000005000 RMT= 2.13 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=0.09240000 Y=0.75120000 Z=0.58010000 MULT= 1 ISPLIT= 8 B NPT= 781 R0=.000100000 RMT= 1.15 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.05170000 Y=0.15660000 Z=0.79950000 MULT= 1 ISPLIT= 8 B NPT= 781 R0=.000100000 RMT= 1.15 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.47540000 Y=0.20920000 Z=0.37200000 MULT= 1 ISPLIT= 8 B NPT= 781 R0=.000100000 RMT= 1.15 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.08190000 Y=0.11320000 Z=0.58330000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.33 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.41720000 Y=0.49960000 Z=0.47390000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.33 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.71300000 Y=0.87080000 Z=0.48320000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.33 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.10610000 Y=0.48180000 Z=0.80040000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.33 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.33 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.28260000 Y=0.34680000 Z=0.17410000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.33 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000