P LATTICE,NONEQUIV.ATOMS 10 11 P21/m MODE OF CALC=RELA unit=bohr 17.857912 16.176056 8.919507 90.000000 90.000000105.950000 ATOM -1: X=0.23200000 Y=0.89200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.76800000 Y=0.10800000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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=0.63400000 Y=0.50700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.36600000 Y=0.49300000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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 -3: X=0.12200000 Y=0.49800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.87800000 Y=0.50200000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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 -4: X=0.81200000 Y=0.30300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.18800000 Y=0.69700000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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 -5: X=0.32100000 Y=0.31000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.67900000 Y=0.69000000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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 -6: X=0.03300000 Y=0.10100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.96700000 Y=0.89900000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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 -7: X=0.52100000 Y=0.10600000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.47900000 Y=0.89400000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.12 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 -8: X=0.72510000 Y=0.89950000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.27490000 Y=0.10050000 Z=0.75000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 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 -9: X=0.41790000 Y=0.69740000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.58210000 Y=0.30260000 Z=0.75000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 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 -10: X=0.93180000 Y=0.69790000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.06820000 Y=0.30210000 Z=0.75000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000