B LATTICE,NONEQUIV.ATOMS 3 87 I4/m MODE OF CALC=RELA unit=bohr 15.042220 15.042220 13.152494 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= 2.44 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 Te NPT= 781 R0=.000010000 RMT= 2.50000 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=0.19000000 Y=0.33200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.81000000 Y=0.66800000 Z=0.00000000 -3: X=0.66800000 Y=0.19000000 Z=0.00000000 -3: X=0.33200000 Y=0.81000000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000