P LATTICE,NONEQUIV.ATOMS 3 51 Pmma MODE OF CALC=RELA unit=bohr 11.402230 6.647490 7.760538 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.50000000 Z=0.20190000 MULT= 2 ISPLIT=15 -1: X=0.75000000 Y=0.50000000 Z=0.79810000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.09820000 Y=0.00000000 Z=0.66020000 MULT= 4 ISPLIT=15 -2: X=0.90180000 Y=0.00000000 Z=0.33980000 -2: X=0.59820000 Y=0.00000000 Z=0.33980000 -2: X=0.40180000 Y=0.00000000 Z=0.66020000 B NPT= 781 R0=.000100000 RMT= 2.00000 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.50000000 Y=0.00000000 Z=0.00000000 C NPT= 781 R0=.000100000 RMT= 2.00000 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000