P LATTICE,NONEQUIV.ATOMS 9 58 Pnnm MODE OF CALC=RELA unit=bohr 22.351681 28.039756 6.554704 90.000000 90.000000 90.000000 ATOM -1: X=0.34600000 Y=0.47900000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.65400000 Y=0.52100000 Z=0.00000000 -1: X=0.15400000 Y=0.97900000 Z=0.50000000 -1: X=0.84600000 Y=0.02100000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.45 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=0.41300000 Y=0.24500000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.58700000 Y=0.75500000 Z=0.00000000 -2: X=0.08700000 Y=0.74500000 Z=0.50000000 -2: X=0.91300000 Y=0.25500000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.45 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=0.08800000 Y=0.58000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.91200000 Y=0.42000000 Z=0.00000000 -3: X=0.41200000 Y=0.08000000 Z=0.50000000 -3: X=0.58800000 Y=0.92000000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.45 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=0.03000000 Y=0.11000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.97000000 Y=0.89000000 Z=0.00000000 -4: X=0.47000000 Y=0.61000000 Z=0.50000000 -4: X=0.53000000 Y=0.39000000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.45 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=0.69300000 Y=0.29200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.30700000 Y=0.70800000 Z=0.00000000 -5: X=0.80700000 Y=0.79200000 Z=0.50000000 -5: X=0.19300000 Y=0.20800000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.45 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=0.62000000 Y=0.07800000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.38000000 Y=0.92200000 Z=0.00000000 -6: X=0.88000000 Y=0.57800000 Z=0.50000000 -6: X=0.12000000 Y=0.42200000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.45 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=0.06800000 Y=0.29300000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.93200000 Y=0.70700000 Z=0.00000000 -7: X=0.43200000 Y=0.79300000 Z=0.50000000 -7: X=0.56800000 Y=0.20700000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 2.33 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.25500000 Y=0.08800000 Z=0.00000000 MULT= 4 ISPLIT= 8 -8: X=0.74500000 Y=0.91200000 Z=0.00000000 -8: X=0.24500000 Y=0.58800000 Z=0.50000000 -8: X=0.75500000 Y=0.41200000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 2.33 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.81600000 Y=0.15000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -9: X=0.18400000 Y=0.85000000 Z=0.00000000 -9: X=0.68400000 Y=0.65000000 Z=0.50000000 -9: X=0.31600000 Y=0.35000000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 2.33 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000