P LATTICE,NONEQUIV.ATOMS 10 19 P212121 MODE OF CALC=RELA unit=bohr 14.354360 18.409712 19.908265 90.000000 90.000000 90.000000 ATOM -1: X=0.53240000 Y=0.42880000 Z=0.26620000 MULT= 4 ISPLIT= 8 -1: X=0.96760000 Y=0.57120000 Z=0.76620000 -1: X=0.03240000 Y=0.07120000 Z=0.73380000 -1: X=0.46760000 Y=0.92880000 Z=0.23380000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37080000 Y=0.28260000 Z=0.00400000 MULT= 4 ISPLIT= 8 -2: X=0.12920000 Y=0.71740000 Z=0.50400000 -2: X=0.87080000 Y=0.21740000 Z=0.99600000 -2: X=0.62920000 Y=0.78260000 Z=0.49600000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.18270000 Y=0.57320000 Z=0.11890000 MULT= 4 ISPLIT= 8 -3: X=0.31730000 Y=0.42680000 Z=0.61890000 -3: X=0.68270000 Y=0.92680000 Z=0.88110000 -3: X=0.81730000 Y=0.07320000 Z=0.38110000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28030000 Y=0.37490000 Z=0.18060000 MULT= 4 ISPLIT= 8 -4: X=0.21970000 Y=0.62510000 Z=0.68060000 -4: X=0.78030000 Y=0.12510000 Z=0.81940000 -4: X=0.71970000 Y=0.87490000 Z=0.31940000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.36380000 Y=0.04990000 Z=0.38660000 MULT= 4 ISPLIT= 8 -5: X=0.13620000 Y=0.95010000 Z=0.88660000 -5: X=0.86380000 Y=0.45010000 Z=0.61340000 -5: X=0.63620000 Y=0.54990000 Z=0.11340000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.03350000 Y=0.05370000 Z=0.06480000 MULT= 4 ISPLIT= 8 -6: X=0.46650000 Y=0.94630000 Z=0.56480000 -6: X=0.53350000 Y=0.44630000 Z=0.93520000 -6: X=0.96650000 Y=0.55370000 Z=0.43520000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.09460000 Y=0.36270000 Z=0.50740000 MULT= 4 ISPLIT= 8 -7: X=0.40540000 Y=0.63730000 Z=0.00740000 -7: X=0.59460000 Y=0.13730000 Z=0.49260000 -7: X=0.90540000 Y=0.86270000 Z=0.99260000 P NPT= 781 R0=.000100000 RMT= 2.01 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.09400000 Y=0.19930000 Z=0.30580000 MULT= 4 ISPLIT= 8 -8: X=0.40600000 Y=0.80070000 Z=0.80580000 -8: X=0.59400000 Y=0.30070000 Z=0.69420000 -8: X=0.90600000 Y=0.69930000 Z=0.19420000 Li NPT= 781 R0=.000100000 RMT= 2.23 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=0.43600000 Y=0.02530000 Z=0.01500000 MULT= 4 ISPLIT= 8 -9: X=0.06400000 Y=0.97470000 Z=0.51500000 -9: X=0.93600000 Y=0.47470000 Z=0.98500000 -9: X=0.56400000 Y=0.52530000 Z=0.48500000 Li NPT= 781 R0=.000100000 RMT= 2.23 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=0.65100000 Y=0.19320000 Z=0.18400000 MULT= 4 ISPLIT= 8 -10: X=0.84900000 Y=0.80680000 Z=0.68400000 -10: X=0.15100000 Y=0.30680000 Z=0.81600000 -10: X=0.34900000 Y=0.69320000 Z=0.31600000 Li NPT= 781 R0=.000100000 RMT= 2.23 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000