P LATTICE,NONEQUIV.ATOMS 9 58 Pnnm MODE OF CALC=RELA unit=bohr 23.164263 28.404474 6.753503 90.000000 90.000000 90.000000 ATOM -1: X=0.61717000 Y=0.08502000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.38283000 Y=0.91498000 Z=0.00000000 -1: X=0.88283000 Y=0.58502000 Z=0.50000000 -1: X=0.11717000 Y=0.41498000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.68831000 Y=0.29053000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.31169000 Y=0.70947000 Z=0.00000000 -2: X=0.81169000 Y=0.79053000 Z=0.50000000 -2: X=0.18831000 Y=0.20947000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.02537000 Y=0.10554000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.97463000 Y=0.89446000 Z=0.00000000 -3: X=0.47463000 Y=0.60554000 Z=0.50000000 -3: X=0.52537000 Y=0.39446000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.40383000 Y=0.24591000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.59617000 Y=0.75409000 Z=0.00000000 -4: X=0.09617000 Y=0.74591000 Z=0.50000000 -4: X=0.90383000 Y=0.25409000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.33744000 Y=0.47851000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.66256000 Y=0.52149000 Z=0.00000000 -5: X=0.16256000 Y=0.97851000 Z=0.50000000 -5: X=0.83744000 Y=0.02149000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.08788000 Y=0.57649000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.91212000 Y=0.42351000 Z=0.00000000 -6: X=0.41212000 Y=0.07649000 Z=0.50000000 -6: X=0.58788000 Y=0.92351000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.81300000 Y=0.14800000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.18700000 Y=0.85200000 Z=0.00000000 -7: X=0.68700000 Y=0.64800000 Z=0.50000000 -7: X=0.31300000 Y=0.35200000 Z=0.50000000 P NPT= 781 R0=.000100000 RMT= 2.12 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 -8: X=0.05620000 Y=0.28710000 Z=0.00000000 MULT= 4 ISPLIT= 8 -8: X=0.94380000 Y=0.71290000 Z=0.00000000 -8: X=0.44380000 Y=0.78710000 Z=0.50000000 -8: X=0.55620000 Y=0.21290000 Z=0.50000000 P NPT= 781 R0=.000100000 RMT= 2.12 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 -9: X=0.25540000 Y=0.09060000 Z=0.00000000 MULT= 4 ISPLIT= 8 -9: X=0.74460000 Y=0.90940000 Z=0.00000000 -9: X=0.24460000 Y=0.59060000 Z=0.50000000 -9: X=0.75540000 Y=0.40940000 Z=0.50000000 P NPT= 781 R0=.000100000 RMT= 2.12 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000