CXZ LATTICE,NONEQUIV.ATOMS 3 12 B2/m MODE OF CALC=RELA unit=bohr 17.394929 15.178280 5.873269 90.000000 90.000000 59.300000 ATOM -1: X=0.84600000 Y=0.20000000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.15400000 Y=0.80000000 Z=0.00000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.60100000 Y=0.11200000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.39900000 Y=0.88800000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -3: X=0.85700000 Y=0.53100000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.14300000 Y=0.46900000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000