F LATTICE,NONEQUIV.ATOMS 11 43 Fdd2 MODE OF CALC=RELA unit=bohr 13.660452 85.729316 21.934051 90.000000 90.000000 90.000000 ATOM -1: X=0.23389000 Y=0.06494000 Z=0.25650000 MULT= 4 ISPLIT= 8 -1: X=0.76611000 Y=0.93506000 Z=0.25650000 -1: X=0.01611000 Y=0.31494000 Z=0.50650000 -1: X=0.48389000 Y=0.18506000 Z=0.50650000 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=0.00930000 Y=0.18441000 Z=0.40995000 MULT= 4 ISPLIT= 8 -2: X=0.99070000 Y=0.81559000 Z=0.40995000 -2: X=0.24070000 Y=0.43441000 Z=0.65995000 -2: X=0.25930000 Y=0.06559000 Z=0.65995000 Ga NPT= 781 R0=.000050000 RMT= 2.24 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 -3: X=0.53394000 Y=0.13386000 Z=0.13639000 MULT= 4 ISPLIT= 8 -3: X=0.46606000 Y=0.86614000 Z=0.13639000 -3: X=0.71606000 Y=0.38386000 Z=0.38639000 -3: X=0.78394000 Y=0.11614000 Z=0.38639000 Ga NPT= 781 R0=.000050000 RMT= 2.24 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=0.00000000 Y=0.00000000 Z=0.72537000 MULT= 2 ISPLIT= 8 -4: X=0.25000000 Y=0.25000000 Z=0.97537000 Ge NPT= 781 R0=.000050000 RMT= 2.31 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.00000000 Z=0.21209000 MULT= 2 ISPLIT= 8 -5: X=0.25000000 Y=0.25000000 Z=0.46209000 Ge NPT= 781 R0=.000050000 RMT= 2.31 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.01120000 Y=0.04075000 Z=0.09452000 MULT= 4 ISPLIT= 8 -6: X=0.98880000 Y=0.95925000 Z=0.09452000 -6: X=0.23880000 Y=0.29075000 Z=0.34452000 -6: X=0.26120000 Y=0.20925000 Z=0.34452000 S NPT= 781 R0=.000100000 RMT= 1.92 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=0.01390000 Y=0.14198000 Z=0.31109000 MULT= 4 ISPLIT= 8 -7: X=0.98610000 Y=0.85802000 Z=0.31109000 -7: X=0.23610000 Y=0.39198000 Z=0.56109000 -7: X=0.26390000 Y=0.10802000 Z=0.56109000 S NPT= 781 R0=.000100000 RMT= 1.92 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=0.25180000 Y=0.11930000 Z=0.07749000 MULT= 4 ISPLIT= 8 -8: X=0.74820000 Y=0.88070000 Z=0.07749000 -8: X=0.99820000 Y=0.36930000 Z=0.32749000 -8: X=0.50180000 Y=0.13070000 Z=0.32749000 S NPT= 781 R0=.000100000 RMT= 1.92 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=0.24270000 Y=0.00657000 Z=0.33708000 MULT= 4 ISPLIT= 8 -9: X=0.75730000 Y=0.99343000 Z=0.33708000 -9: X=0.00730000 Y=0.25657000 Z=0.58708000 -9: X=0.49270000 Y=0.24343000 Z=0.58708000 S NPT= 781 R0=.000100000 RMT= 1.92 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=0.56570000 Y=0.18182000 Z=0.10053000 MULT= 4 ISPLIT= 8 -10: X=0.43430000 Y=0.81818000 Z=0.10053000 -10: X=0.68430000 Y=0.43182000 Z=0.35053000 -10: X=0.81570000 Y=0.06818000 Z=0.35053000 S NPT= 781 R0=.000100000 RMT= 1.92 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=0.50020000 Y=0.04100000 Z=0.11104000 MULT= 4 ISPLIT= 8 -11: X=0.49980000 Y=0.95900000 Z=0.11104000 -11: X=0.74980000 Y=0.29100000 Z=0.36104000 -11: X=0.75020000 Y=0.20900000 Z=0.36104000 S NPT= 781 R0=.000100000 RMT= 1.92 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000