P LATTICE,NONEQUIV.ATOMS 2 58 Pnnm MODE OF CALC=RELA unit=bohr 7.139385 9.221864 6.062241 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Pt NPT= 781 R0=.000005000 RMT= 2.22 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.14800000 Y=0.41600000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.85200000 Y=0.58400000 Z=0.00000000 -2: X=0.35200000 Y=0.91600000 Z=0.50000000 -2: X=0.64800000 Y=0.08400000 Z=0.50000000 N NPT= 781 R0=.000100000 RMT= 1.30 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000