P LATTICE,NONEQUIV.ATOMS 6 57 Pbcm MODE OF CALC=RELA unit=bohr 17.330678 16.068341 10.673173 90.000000 90.000000 90.000000 ATOM -1: X=0.55600000 Y=0.25000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.44400000 Y=0.75000000 Z=0.00000000 -1: X=0.55600000 Y=0.25000000 Z=0.50000000 -1: X=0.44400000 Y=0.75000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.07700000 Y=0.53700000 Z=0.25000000 MULT= 4 ISPLIT= 8 -2: X=0.92300000 Y=0.46300000 Z=0.75000000 -2: X=0.92300000 Y=0.03700000 Z=0.25000000 -2: X=0.07700000 Y=0.96300000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 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=0.34100000 Y=0.10300000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.65900000 Y=0.89700000 Z=0.75000000 -3: X=0.65900000 Y=0.60300000 Z=0.25000000 -3: X=0.34100000 Y=0.39700000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 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 -4: X=0.11200000 Y=0.25000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.88800000 Y=0.75000000 Z=0.00000000 -4: X=0.11200000 Y=0.25000000 Z=0.50000000 -4: X=0.88800000 Y=0.75000000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.39 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 -5: X=0.37400000 Y=0.47300000 Z=0.25000000 MULT= 4 ISPLIT= 8 -5: X=0.62600000 Y=0.52700000 Z=0.75000000 -5: X=0.62600000 Y=0.97300000 Z=0.25000000 -5: X=0.37400000 Y=0.02700000 Z=0.75000000 Hf NPT= 781 R0=.000005000 RMT= 2.39 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=0.19180000 Y=0.85930000 Z=0.25000000 MULT= 4 ISPLIT= 8 -6: X=0.80820000 Y=0.14070000 Z=0.75000000 -6: X=0.80820000 Y=0.35930000 Z=0.25000000 -6: X=0.19180000 Y=0.64070000 Z=0.75000000 Hf NPT= 781 R0=.000005000 RMT= 2.39 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000