CXY LATTICE,NONEQUIV.ATOMS 10 65 Cmmm MODE OF CALC=RELA unit=bohr 13.181218 64.305491 8.536271 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.16014000 Z=0.50000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.83986000 Z=0.50000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.27897000 Z=0.50000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.72103000 Z=0.50000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.44166000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.55834000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.00000000 MULT= 1 ISPLIT=15 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.17994000 Y=0.21616000 Z=0.00000000 MULT= 4 ISPLIT=15 -5: X=0.82006000 Y=0.78384000 Z=0.00000000 -5: X=0.82006000 Y=0.21616000 Z=0.00000000 -5: X=0.17994000 Y=0.78384000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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=0.00000000 Y=0.37293000 Z=0.50000000 MULT= 2 ISPLIT=15 -6: X=0.00000000 Y=0.62707000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -7: X=0.00000000 Y=0.09393000 Z=0.00000000 MULT= 2 ISPLIT=15 -7: X=0.00000000 Y=0.90607000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -8: X=0.31853000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT=15 -8: X=0.68147000 Y=0.00000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -9: X=0.18790000 Y=0.07390000 Z=0.50000000 MULT= 4 ISPLIT=15 -9: X=0.81210000 Y=0.92610000 Z=0.50000000 -9: X=0.81210000 Y=0.07390000 Z=0.50000000 -9: X=0.18790000 Y=0.92610000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 2.00000 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=0.31220000 Y=0.14400000 Z=0.00000000 MULT= 4 ISPLIT=15 -10: X=0.68780000 Y=0.85600000 Z=0.00000000 -10: X=0.68780000 Y=0.14400000 Z=0.00000000 -10: X=0.31220000 Y=0.85600000 Z=0.00000000 Li NPT= 781 R0=.000100000 RMT= 2.00000 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000