P LATTICE,NONEQUIV.ATOMS 10 59 Pmmn MODE OF CALC=RELA unit=bohr 20.524316 34.060424 13.417056 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.53740000 Z=0.54060000 MULT= 4 ISPLIT= 8 -1: X=0.75000000 Y=0.46260000 Z=0.45940000 -1: X=0.75000000 Y=0.03740000 Z=0.45940000 -1: X=0.25000000 Y=0.96260000 Z=0.54060000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.02040000 Y=0.62580000 Z=0.04380000 MULT= 8 ISPLIT= 8 -2: X=0.97960000 Y=0.37420000 Z=0.95620000 -2: X=0.52040000 Y=0.12580000 Z=0.95620000 -2: X=0.47960000 Y=0.87420000 Z=0.04380000 -2: X=0.47960000 Y=0.62580000 Z=0.04380000 -2: X=0.52040000 Y=0.37420000 Z=0.95620000 -2: X=0.97960000 Y=0.12580000 Z=0.95620000 -2: X=0.02040000 Y=0.87420000 Z=0.04380000 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=0.25000000 Y=0.25000000 Z=0.57930000 MULT= 2 ISPLIT= 8 -3: X=0.75000000 Y=0.75000000 Z=0.42070000 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=0.25000000 Y=0.12280000 Z=0.24200000 MULT= 4 ISPLIT= 8 -4: X=0.75000000 Y=0.87720000 Z=0.75800000 -4: X=0.75000000 Y=0.62280000 Z=0.75800000 -4: X=0.25000000 Y=0.37720000 Z=0.24200000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.56840000 Y=0.25000000 Z=0.44130000 MULT= 4 ISPLIT= 8 -5: X=0.43160000 Y=0.75000000 Z=0.55870000 -5: X=0.06840000 Y=0.75000000 Z=0.55870000 -5: X=0.93160000 Y=0.25000000 Z=0.44130000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.04110000 Y=0.11750000 Z=0.45510000 MULT= 8 ISPLIT= 8 -6: X=0.95890000 Y=0.88250000 Z=0.54490000 -6: X=0.54110000 Y=0.61750000 Z=0.54490000 -6: X=0.45890000 Y=0.38250000 Z=0.45510000 -6: X=0.45890000 Y=0.11750000 Z=0.45510000 -6: X=0.54110000 Y=0.88250000 Z=0.54490000 -6: X=0.95890000 Y=0.61750000 Z=0.54490000 -6: X=0.04110000 Y=0.38250000 Z=0.45510000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.25000000 Y=0.00740000 Z=0.01970000 MULT= 4 ISPLIT= 8 -7: X=0.75000000 Y=0.99260000 Z=0.98030000 -7: X=0.75000000 Y=0.50740000 Z=0.98030000 -7: X=0.25000000 Y=0.49260000 Z=0.01970000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.25000000 Y=0.75000000 Z=0.29100000 MULT= 2 ISPLIT= 8 -8: X=0.75000000 Y=0.25000000 Z=0.70900000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.25000000 Y=0.75000000 Z=0.82680000 MULT= 2 ISPLIT= 8 -9: X=0.75000000 Y=0.25000000 Z=0.17320000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.25000000 Y=0.25000000 Z=0.04590000 MULT= 2 ISPLIT= 8 -10: X=0.75000000 Y=0.75000000 Z=0.95410000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000