P LATTICE,NONEQUIV.ATOMS 4 14 P21/n MODE OF CALC=RELA unit=bohr 22.372468 18.111135 11.497094 90.000000 90.000000107.780000 ATOM -1: X=0.04907000 Y=0.19793000 Z=0.50216000 MULT= 4 ISPLIT= 8 -1: X=0.95093000 Y=0.80207000 Z=0.49784000 -1: X=0.45093000 Y=0.30207000 Z=0.00216000 -1: X=0.54907000 Y=0.69793000 Z=0.99784000 Ga NPT= 781 R0=.000050000 RMT= 2.28 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 -2: X=0.21238000 Y=0.33231000 Z=0.25106000 MULT= 4 ISPLIT= 8 -2: X=0.78762000 Y=0.66769000 Z=0.74894000 -2: X=0.28762000 Y=0.16769000 Z=0.75106000 -2: X=0.71238000 Y=0.83231000 Z=0.24894000 I NPT= 781 R0=.000010000 RMT= 2.02 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.04875000 Y=0.66971000 Z=0.24521000 MULT= 4 ISPLIT= 8 -3: X=0.95125000 Y=0.33029000 Z=0.75479000 -3: X=0.45125000 Y=0.83029000 Z=0.74521000 -3: X=0.54875000 Y=0.16971000 Z=0.25479000 I NPT= 781 R0=.000010000 RMT= 2.02 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.38136000 Y=0.00099000 Z=0.22956000 MULT= 4 ISPLIT= 8 -4: X=0.61864000 Y=0.99901000 Z=0.77044000 -4: X=0.11864000 Y=0.49901000 Z=0.72956000 -4: X=0.88136000 Y=0.50099000 Z=0.27044000 I NPT= 781 R0=.000010000 RMT= 2.02 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000