P LATTICE,NONEQUIV.ATOMS 2 11 P21/m MODE OF CALC=RELA unit=bohr 7.275446 3.828585 6.236096 90.000000 90.000000 98.590000 ATOM -1: X=0.12200000 Y=0.00200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.87800000 Y=0.99800000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 1.70 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.60000000 Y=0.30800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.40000000 Y=0.69200000 Z=0.75000000 Be NPT= 781 R0=.000100000 RMT= 1.78 Z: 4.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000