P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 13.401938 25.549097 13.541777 90.000000 90.000000 90.000000 ATOM -1: X=0.18110000 Y=0.25000000 Z=0.00200000 MULT= 4 ISPLIT= 8 -1: X=0.81890000 Y=0.75000000 Z=0.99800000 -1: X=0.68110000 Y=0.25000000 Z=0.49800000 -1: X=0.31890000 Y=0.75000000 Z=0.50200000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.14560000 Y=0.62420000 Z=0.16700000 MULT= 8 ISPLIT= 8 -2: X=0.85440000 Y=0.37580000 Z=0.83300000 -2: X=0.64560000 Y=0.62420000 Z=0.33300000 -2: X=0.35440000 Y=0.37580000 Z=0.66700000 -2: X=0.35440000 Y=0.12420000 Z=0.66700000 -2: X=0.64560000 Y=0.87580000 Z=0.33300000 -2: X=0.85440000 Y=0.12420000 Z=0.83300000 -2: X=0.14560000 Y=0.87580000 Z=0.16700000 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=0.01420000 Y=0.09460000 Z=0.32310000 MULT= 8 ISPLIT= 8 -3: X=0.98580000 Y=0.90540000 Z=0.67690000 -3: X=0.51420000 Y=0.09460000 Z=0.17690000 -3: X=0.48580000 Y=0.90540000 Z=0.82310000 -3: X=0.48580000 Y=0.59460000 Z=0.82310000 -3: X=0.51420000 Y=0.40540000 Z=0.17690000 -3: X=0.98580000 Y=0.59460000 Z=0.67690000 -3: X=0.01420000 Y=0.40540000 Z=0.32310000 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=0.05270000 Y=0.25000000 Z=0.61160000 MULT= 4 ISPLIT= 8 -4: X=0.94730000 Y=0.75000000 Z=0.38840000 -4: X=0.55270000 Y=0.25000000 Z=0.88840000 -4: X=0.44730000 Y=0.75000000 Z=0.11160000 Ge NPT= 781 R0=.000050000 RMT= 2.44 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.32150000 Y=0.25000000 Z=0.35300000 MULT= 4 ISPLIT= 8 -5: X=0.67850000 Y=0.75000000 Z=0.64700000 -5: X=0.82150000 Y=0.25000000 Z=0.14700000 -5: X=0.17850000 Y=0.75000000 Z=0.85300000 Ge NPT= 781 R0=.000050000 RMT= 2.44 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.30330000 Y=0.54060000 Z=0.46520000 MULT= 8 ISPLIT= 8 -6: X=0.69670000 Y=0.45940000 Z=0.53480000 -6: X=0.80330000 Y=0.54060000 Z=0.03480000 -6: X=0.19670000 Y=0.45940000 Z=0.96520000 -6: X=0.19670000 Y=0.04060000 Z=0.96520000 -6: X=0.80330000 Y=0.95940000 Z=0.03480000 -6: X=0.69670000 Y=0.04060000 Z=0.53480000 -6: X=0.30330000 Y=0.95940000 Z=0.46520000 Ge NPT= 781 R0=.000050000 RMT= 2.44 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000