R LATTICE,NONEQUIV.ATOMS 2 148 R-3 MODE OF CALC=RELA unit=bohr 18.545395 18.545395 11.043368 90.000000 90.000000120.000000 ATOM -1: X=0.21800000 Y=0.21800000 Z=0.21800000 MULT= 2 ISPLIT= 4 -1: X=0.78200000 Y=0.78200000 Z=0.78200000 Ge NPT= 781 R0=.000050000 RMT= 2.31 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 -2: X=0.52700000 Y=0.03300000 Z=0.22900000 MULT= 6 ISPLIT= 8 -2: X=0.47300000 Y=0.96700000 Z=0.77100000 -2: X=0.03300000 Y=0.22900000 Z=0.52700000 -2: X=0.96700000 Y=0.77100000 Z=0.47300000 -2: X=0.22900000 Y=0.52700000 Z=0.03300000 -2: X=0.77100000 Y=0.47300000 Z=0.96700000 Ge NPT= 781 R0=.000050000 RMT= 2.31 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000