B LATTICE,NONEQUIV.ATOMS 9 139 I4/mmm MODE OF CALC=RELA unit=bohr 19.430164 19.430164 27.835666 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.25000000 MULT= 2 ISPLIT=-2 -1: X=0.00000000 Y=0.50000000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.11000000 MULT= 2 ISPLIT=-2 -2: X=0.00000000 Y=0.00000000 Z=0.89000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.37300000 Y=0.37300000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.62700000 Y=0.62700000 Z=0.00000000 -3: X=0.62700000 Y=0.37300000 Z=0.00000000 -3: X=0.37300000 Y=0.62700000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.35700000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.64300000 Y=0.00000000 Z=0.00000000 -4: X=0.00000000 Y=0.35700000 Z=0.00000000 -4: X=0.00000000 Y=0.64300000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 ATOM -5: X=0.20500000 Y=0.20500000 Z=0.32300000 MULT= 8 ISPLIT= 8 -5: X=0.79500000 Y=0.79500000 Z=0.67700000 -5: X=0.79500000 Y=0.20500000 Z=0.32300000 -5: X=0.20500000 Y=0.79500000 Z=0.67700000 -5: X=0.79500000 Y=0.79500000 Z=0.32300000 -5: X=0.20500000 Y=0.20500000 Z=0.67700000 -5: X=0.20500000 Y=0.79500000 Z=0.32300000 -5: X=0.79500000 Y=0.20500000 Z=0.67700000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.00000000 Z=0.31600000 MULT= 2 ISPLIT=-2 -6: X=0.00000000 Y=0.00000000 Z=0.68400000 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=0.17440000 Y=0.17440000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.82560000 Y=0.82560000 Z=0.00000000 -7: X=0.82560000 Y=0.17440000 Z=0.00000000 -7: X=0.17440000 Y=0.82560000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -8: X=0.00000000 Y=0.25250000 Z=0.18840000 MULT= 8 ISPLIT= 8 -8: X=0.00000000 Y=0.74750000 Z=0.81160000 -8: X=0.74750000 Y=0.00000000 Z=0.18840000 -8: X=0.25250000 Y=0.00000000 Z=0.81160000 -8: X=0.00000000 Y=0.74750000 Z=0.18840000 -8: X=0.00000000 Y=0.25250000 Z=0.81160000 -8: X=0.25250000 Y=0.00000000 Z=0.18840000 -8: X=0.74750000 Y=0.00000000 Z=0.81160000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.33170000 Z=0.39350000 MULT= 8 ISPLIT= 8 -9: X=0.00000000 Y=0.66830000 Z=0.60650000 -9: X=0.66830000 Y=0.00000000 Z=0.39350000 -9: X=0.33170000 Y=0.00000000 Z=0.60650000 -9: X=0.00000000 Y=0.66830000 Z=0.39350000 -9: X=0.00000000 Y=0.33170000 Z=0.60650000 -9: X=0.33170000 Y=0.00000000 Z=0.39350000 -9: X=0.66830000 Y=0.00000000 Z=0.60650000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000