P LATTICE,NONEQUIV.ATOMS 6 58 Pnnm MODE OF CALC=RELA unit=bohr 19.086234 29.668700 7.426624 90.000000 90.000000 90.000000 ATOM -1: X=0.16700000 Y=0.50600000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.83300000 Y=0.49400000 Z=0.00000000 -1: X=0.33300000 Y=0.00600000 Z=0.50000000 -1: X=0.66700000 Y=0.99400000 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=0.02200000 Y=0.24800000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.97800000 Y=0.75200000 Z=0.00000000 -2: X=0.47800000 Y=0.74800000 Z=0.50000000 -2: X=0.52200000 Y=0.25200000 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=0.11600000 Y=0.05900000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.88400000 Y=0.94100000 Z=0.00000000 -3: X=0.38400000 Y=0.55900000 Z=0.50000000 -3: X=0.61600000 Y=0.44100000 Z=0.50000000 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 -4: X=0.34400000 Y=0.34600000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.65600000 Y=0.65400000 Z=0.00000000 -4: X=0.15600000 Y=0.84600000 Z=0.50000000 -4: X=0.84400000 Y=0.15400000 Z=0.50000000 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 -5: X=0.27000000 Y=0.69800000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.73000000 Y=0.30200000 Z=0.00000000 -5: X=0.23000000 Y=0.19800000 Z=0.50000000 -5: X=0.77000000 Y=0.80200000 Z=0.50000000 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 -6: X=0.51100000 Y=0.10200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.48900000 Y=0.89800000 Z=0.00000000 -6: X=0.98900000 Y=0.60200000 Z=0.50000000 -6: X=0.01100000 Y=0.39800000 Z=0.50000000 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