P LATTICE,NONEQUIV.ATOMS 9 11 P21/m MODE OF CALC=RELA unit=bohr 21.620546 12.580474 7.437773 90.000000 90.000000 90.102000 ATOM -1: X=0.70759000 Y=0.02940000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.29241000 Y=0.97060000 Z=0.75000000 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=0.62227000 Y=0.53199000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.37773000 Y=0.46801000 Z=0.75000000 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=0.92068000 Y=0.66126000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.07932000 Y=0.33874000 Z=0.75000000 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=0.09096000 Y=0.00330000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.90904000 Y=0.99670000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.41 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.45860000 Y=0.14240000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.54140000 Y=0.85760000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.41 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.20585000 Y=0.62862000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.79415000 Y=0.37138000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.41 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.91580000 Y=0.25050000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.08420000 Y=0.74950000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.25013000 Y=0.26100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.74987000 Y=0.73900000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.41590000 Y=0.75190000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.58410000 Y=0.24810000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000