H LATTICE,NONEQUIV.ATOMS 4 176 P63/m MODE OF CALC=RELA unit=bohr 17.440471 17.440471 14.150269 90.000000 90.000000120.000000 ATOM -1: X=0.33333333 Y=0.66666667 Z=0.06490000 MULT= 4 ISPLIT= 4 -1: X=0.66666667 Y=0.33333333 Z=0.93510000 -1: X=0.66666666 Y=0.33333333 Z=0.56490000 -1: X=0.33333334 Y=0.66666667 Z=0.43510000 Ga NPT= 781 R0=.000050000 RMT= 1.94 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 -2: X=0.54339000 Y=0.03961000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.45661000 Y=0.96039000 Z=0.75000000 -2: X=0.50378000 Y=0.54339000 Z=0.75000000 -2: X=0.49622000 Y=0.45661000 Z=0.25000000 -2: X=0.96039000 Y=0.50378000 Z=0.25000000 -2: X=0.03961000 Y=0.49622000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 1.91 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.16550000 Y=0.50310000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.83450000 Y=0.49690000 Z=0.75000000 -3: X=0.66240000 Y=0.16550000 Z=0.75000000 -3: X=0.33760000 Y=0.83450000 Z=0.25000000 -3: X=0.49690000 Y=0.66240000 Z=0.25000000 -3: X=0.50310000 Y=0.33760000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.64 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.48800000 Y=0.14420000 Z=0.06720000 MULT=12 ISPLIT= 8 -4: X=0.51200000 Y=0.85580000 Z=0.93280000 -4: X=0.34380000 Y=0.48800000 Z=0.56720000 -4: X=0.65620000 Y=0.51200000 Z=0.43280000 -4: X=0.85580000 Y=0.34380000 Z=0.06720000 -4: X=0.14420000 Y=0.65620000 Z=0.93280000 -4: X=0.51200000 Y=0.85580000 Z=0.56720000 -4: X=0.48800000 Y=0.14420000 Z=0.43280000 -4: X=0.65620000 Y=0.51200000 Z=0.06720000 -4: X=0.34380000 Y=0.48800000 Z=0.93280000 -4: X=0.14420000 Y=0.65620000 Z=0.56720000 -4: X=0.85580000 Y=0.34380000 Z=0.43280000 O NPT= 781 R0=.000100000 RMT= 1.64 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000