P LATTICE,NONEQUIV.ATOMS 2 25 Pmm2 MODE OF CALC=RELA unit=bohr 4.690300 9.127377 4.947303 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.35000000 MULT= 1 ISPLIT= 8 Ga NPT= 781 R0=.000050000 RMT= 2.33 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= 8 As NPT= 781 R0=.000050000 RMT= 2.33 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000