P LATTICE,NONEQUIV.ATOMS 10 11 P21/m MODE OF CALC=RELA unit=bohr 23.205837 21.013755 7.192298 90.000000 90.000000116.300000 ATOM -1: X=0.88480000 Y=0.08920000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.11520000 Y=0.91080000 Z=0.75000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.27580000 Y=0.24360000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.72420000 Y=0.75640000 Z=0.75000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.85850000 Y=0.44980000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.14150000 Y=0.55020000 Z=0.75000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.40760000 Y=0.67180000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.59240000 Y=0.32820000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.29 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.28160000 Y=0.01500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.71840000 Y=0.98500000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.89700000 Y=0.85880000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.10300000 Y=0.14120000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.63360000 Y=0.23360000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.36640000 Y=0.76640000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.23100000 Y=0.45830000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.76900000 Y=0.54170000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.57900000 Y=0.64180000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.42100000 Y=0.35820000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.06860000 Y=0.65590000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.93140000 Y=0.34410000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000