P LATTICE,NONEQUIV.ATOMS 13 11 P21/m MODE OF CALC=RELA unit=bohr 16.691195 12.089901 30.013197 90.000000 90.000000110.198000 ATOM -1: X=0.32780000 Y=0.31570000 Z=0.09530000 MULT= 4 ISPLIT= 8 -1: X=0.67220000 Y=0.68430000 Z=0.90470000 -1: X=0.67220000 Y=0.68430000 Z=0.59530000 -1: X=0.32780000 Y=0.31570000 Z=0.40470000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.82840000 Y=0.30880000 Z=0.09440000 MULT= 4 ISPLIT= 8 -2: X=0.17160000 Y=0.69120000 Z=0.90560000 -2: X=0.17160000 Y=0.69120000 Z=0.59440000 -2: X=0.82840000 Y=0.30880000 Z=0.40560000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.08010000 Y=0.31170000 Z=0.66530000 MULT= 4 ISPLIT= 8 -3: X=0.91990000 Y=0.68830000 Z=0.33470000 -3: X=0.91990000 Y=0.68830000 Z=0.16530000 -3: X=0.08010000 Y=0.31170000 Z=0.83470000 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 -4: X=0.42670000 Y=0.70000000 Z=0.16380000 MULT= 4 ISPLIT= 8 -4: X=0.57330000 Y=0.30000000 Z=0.83620000 -4: X=0.57330000 Y=0.30000000 Z=0.66380000 -4: X=0.42670000 Y=0.70000000 Z=0.33620000 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 -5: X=0.22620000 Y=0.92910000 Z=0.16840000 MULT= 4 ISPLIT= 8 -5: X=0.77380000 Y=0.07090000 Z=0.83160000 -5: X=0.77380000 Y=0.07090000 Z=0.66840000 -5: X=0.22620000 Y=0.92910000 Z=0.33160000 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=0.26300000 Y=0.07410000 Z=0.66750000 MULT= 4 ISPLIT= 8 -6: X=0.73700000 Y=0.92590000 Z=0.33250000 -6: X=0.73700000 Y=0.92590000 Z=0.16750000 -6: X=0.26300000 Y=0.07410000 Z=0.83250000 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=0.36050000 Y=0.45000000 Z=0.55630000 MULT= 4 ISPLIT= 8 -7: X=0.63950000 Y=0.55000000 Z=0.44370000 -7: X=0.63950000 Y=0.55000000 Z=0.05630000 -7: X=0.36050000 Y=0.45000000 Z=0.94370000 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 -8: X=0.13730000 Y=0.55660000 Z=0.05980000 MULT= 4 ISPLIT= 8 -8: X=0.86270000 Y=0.44340000 Z=0.94020000 -8: X=0.86270000 Y=0.44340000 Z=0.55980000 -8: X=0.13730000 Y=0.55660000 Z=0.44020000 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 -9: X=0.55480000 Y=0.22060000 Z=0.17090000 MULT= 4 ISPLIT= 8 -9: X=0.44520000 Y=0.77940000 Z=0.82910000 -9: X=0.44520000 Y=0.77940000 Z=0.67090000 -9: X=0.55480000 Y=0.22060000 Z=0.32910000 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 -10: X=0.35620000 Y=0.00010000 Z=0.00040000 MULT= 4 ISPLIT= 8 -10: X=0.64380000 Y=0.99990000 Z=0.99960000 -10: X=0.64380000 Y=0.99990000 Z=0.50040000 -10: X=0.35620000 Y=0.00010000 Z=0.49960000 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 -11: X=0.02500000 Y=0.09860000 Z=0.06890000 MULT= 4 ISPLIT= 8 -11: X=0.97500000 Y=0.90140000 Z=0.93110000 -11: X=0.97500000 Y=0.90140000 Z=0.56890000 -11: X=0.02500000 Y=0.09860000 Z=0.43110000 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 -12: X=0.93780000 Y=0.31790000 Z=0.25000000 MULT= 2 ISPLIT= 8 -12: X=0.06220000 Y=0.68210000 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 -13: X=0.22200000 Y=0.32090000 Z=0.25000000 MULT= 2 ISPLIT= 8 -13: X=0.77800000 Y=0.67910000 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