R LATTICE,NONEQUIV.ATOMS 10 160 R3m MODE OF CALC=RELA unit=bohr 8.900611 8.900611 59.942114 90.000000 90.000000120.000000 ATOM -1: X=0.77870000 Y=0.77870000 Z=0.77870000 MULT= 1 ISPLIT= 4 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 -2: X=0.68630000 Y=0.68630000 Z=0.68630000 MULT= 1 ISPLIT= 4 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 -3: X=0.23270000 Y=0.23270000 Z=0.23270000 MULT= 1 ISPLIT= 4 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 -4: X=0.32150000 Y=0.32150000 Z=0.32150000 MULT= 1 ISPLIT= 4 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 -5: X=0.50100000 Y=0.50100000 Z=0.50100000 MULT= 1 ISPLIT= 4 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.94000000 Y=0.94000000 Z=0.94000000 MULT= 1 ISPLIT= 4 Li NPT= 781 R0=.000100000 RMT= 2.05 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=0.86200000 Y=0.86200000 Z=0.86200000 MULT= 1 ISPLIT= 4 Li NPT= 781 R0=.000100000 RMT= 2.05 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=0.40900000 Y=0.40900000 Z=0.40900000 MULT= 1 ISPLIT= 4 Li NPT= 781 R0=.000100000 RMT= 2.05 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 -9: X=0.06100000 Y=0.06100000 Z=0.06100000 MULT= 1 ISPLIT= 4 Li NPT= 781 R0=.000100000 RMT= 2.05 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 -10: X=0.14500000 Y=0.14500000 Z=0.14500000 MULT= 1 ISPLIT= 4 Li NPT= 781 R0=.000100000 RMT= 2.05 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000