P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 15.928502 30.594666 16.296998 90.000000 90.000000 90.000000 ATOM -1: X=0.12100000 Y=0.61600000 Z=0.16100000 MULT= 8 ISPLIT=15 -1: X=0.87900000 Y=0.38400000 Z=0.83900000 -1: X=0.62100000 Y=0.61600000 Z=0.33900000 -1: X=0.37900000 Y=0.38400000 Z=0.66100000 -1: X=0.37900000 Y=0.11600000 Z=0.66100000 -1: X=0.62100000 Y=0.88400000 Z=0.33900000 -1: X=0.87900000 Y=0.11600000 Z=0.83900000 -1: X=0.12100000 Y=0.88400000 Z=0.16100000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.02500000 Y=0.10000000 Z=0.32200000 MULT= 8 ISPLIT=15 -2: X=0.97500000 Y=0.90000000 Z=0.67800000 -2: X=0.52500000 Y=0.10000000 Z=0.17800000 -2: X=0.47500000 Y=0.90000000 Z=0.82200000 -2: X=0.47500000 Y=0.60000000 Z=0.82200000 -2: X=0.52500000 Y=0.40000000 Z=0.17800000 -2: X=0.97500000 Y=0.60000000 Z=0.67800000 -2: X=0.02500000 Y=0.40000000 Z=0.32200000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.21200000 Y=0.25000000 Z=0.00200000 MULT= 4 ISPLIT=15 -3: X=0.78800000 Y=0.75000000 Z=0.99800000 -3: X=0.71200000 Y=0.25000000 Z=0.49800000 -3: X=0.28800000 Y=0.75000000 Z=0.50200000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.27900000 Y=0.54500000 Z=0.46900000 MULT= 8 ISPLIT=15 -4: X=0.72100000 Y=0.45500000 Z=0.53100000 -4: X=0.77900000 Y=0.54500000 Z=0.03100000 -4: X=0.22100000 Y=0.45500000 Z=0.96900000 -4: X=0.22100000 Y=0.04500000 Z=0.96900000 -4: X=0.77900000 Y=0.95500000 Z=0.03100000 -4: X=0.72100000 Y=0.04500000 Z=0.53100000 -4: X=0.27900000 Y=0.95500000 Z=0.46900000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.08700000 Y=0.25000000 Z=0.61200000 MULT= 4 ISPLIT=15 -5: X=0.91300000 Y=0.75000000 Z=0.38800000 -5: X=0.58700000 Y=0.25000000 Z=0.88800000 -5: X=0.41300000 Y=0.75000000 Z=0.11200000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.32400000 Y=0.25000000 Z=0.36700000 MULT= 4 ISPLIT=15 -6: X=0.67600000 Y=0.75000000 Z=0.63300000 -6: X=0.82400000 Y=0.25000000 Z=0.13300000 -6: X=0.17600000 Y=0.75000000 Z=0.86700000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000