P LATTICE,NONEQUIV.ATOMS 11 11 P21/m MODE OF CALC=RELA unit=bohr 22.234518 17.060448 13.537998 90.000000 90.000000108.320000 ATOM -1: X=0.10680000 Y=0.63230000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.89320000 Y=0.36770000 Z=0.75000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.68410000 Y=0.53200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.31590000 Y=0.46800000 Z=0.75000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.43430000 Y=0.07790000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.56570000 Y=0.92210000 Z=0.75000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.88360000 Y=0.01960000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.11640000 Y=0.98040000 Z=0.75000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.41730000 Y=0.68730000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.58270000 Y=0.31270000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 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 -6: X=0.18790000 Y=0.26820000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.81210000 Y=0.73180000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 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 -7: X=0.66910000 Y=0.24070000 Z=0.00480000 MULT= 4 ISPLIT= 8 -7: X=0.33090000 Y=0.75930000 Z=0.99520000 -7: X=0.33090000 Y=0.75930000 Z=0.50480000 -7: X=0.66910000 Y=0.24070000 Z=0.49520000 S NPT= 781 R0=.000100000 RMT= 1.96 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=0.08840000 Y=0.31720000 Z=0.00020000 MULT= 4 ISPLIT= 8 -8: X=0.91160000 Y=0.68280000 Z=0.99980000 -8: X=0.91160000 Y=0.68280000 Z=0.50020000 -8: X=0.08840000 Y=0.31720000 Z=0.49980000 S NPT= 781 R0=.000100000 RMT= 1.96 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=0.38950000 Y=0.41740000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.61050000 Y=0.58260000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.96 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=0.61080000 Y=0.83690000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.38920000 Y=0.16310000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.96 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 -11: X=0.15640000 Y=0.00840000 Z=0.25000000 MULT= 2 ISPLIT= 8 -11: X=0.84360000 Y=0.99160000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.96 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000