P LATTICE,NONEQUIV.ATOMS 8 62 Pnma MODE OF CALC=RELA unit=bohr 28.463055 19.602129 17.281545 90.000000 90.000000 90.000000 ATOM -1: X=0.40550000 Y=0.25000000 Z=0.41540000 MULT= 4 ISPLIT= 8 -1: X=0.59450000 Y=0.75000000 Z=0.58460000 -1: X=0.90550000 Y=0.25000000 Z=0.08460000 -1: X=0.09450000 Y=0.75000000 Z=0.91540000 Ga NPT= 781 R0=.000050000 RMT= 2.35 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 -2: X=0.17880000 Y=0.25000000 Z=0.22370000 MULT= 4 ISPLIT= 8 -2: X=0.82120000 Y=0.75000000 Z=0.77630000 -2: X=0.67880000 Y=0.25000000 Z=0.27630000 -2: X=0.32120000 Y=0.75000000 Z=0.72370000 Ga NPT= 781 R0=.000050000 RMT= 2.35 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 -3: X=0.26520000 Y=0.53160000 Z=0.40900000 MULT= 8 ISPLIT= 8 -3: X=0.73480000 Y=0.46840000 Z=0.59100000 -3: X=0.76520000 Y=0.53160000 Z=0.09100000 -3: X=0.23480000 Y=0.46840000 Z=0.90900000 -3: X=0.23480000 Y=0.03160000 Z=0.90900000 -3: X=0.76520000 Y=0.96840000 Z=0.09100000 -3: X=0.73480000 Y=0.03160000 Z=0.59100000 -3: X=0.26520000 Y=0.96840000 Z=0.40900000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.01500000 Y=0.53070000 Z=0.27450000 MULT= 8 ISPLIT= 8 -4: X=0.98500000 Y=0.46930000 Z=0.72550000 -4: X=0.51500000 Y=0.53070000 Z=0.22550000 -4: X=0.48500000 Y=0.46930000 Z=0.77450000 -4: X=0.48500000 Y=0.03070000 Z=0.77450000 -4: X=0.51500000 Y=0.96930000 Z=0.22550000 -4: X=0.98500000 Y=0.03070000 Z=0.72550000 -4: X=0.01500000 Y=0.96930000 Z=0.27450000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.06910000 Y=0.25000000 Z=0.00310000 MULT= 4 ISPLIT= 8 -5: X=0.93090000 Y=0.75000000 Z=0.99690000 -5: X=0.56910000 Y=0.25000000 Z=0.49690000 -5: X=0.43090000 Y=0.75000000 Z=0.50310000 Sb NPT= 781 R0=.000010000 RMT= 2.47 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.34810000 Y=0.25000000 Z=0.15090000 MULT= 4 ISPLIT= 8 -6: X=0.65190000 Y=0.75000000 Z=0.84910000 -6: X=0.84810000 Y=0.25000000 Z=0.34910000 -6: X=0.15190000 Y=0.75000000 Z=0.65090000 Sb NPT= 781 R0=.000010000 RMT= 2.47 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.12830000 Y=0.25000000 Z=0.49380000 MULT= 4 ISPLIT= 8 -7: X=0.87170000 Y=0.75000000 Z=0.50620000 -7: X=0.62830000 Y=0.25000000 Z=0.00620000 -7: X=0.37170000 Y=0.75000000 Z=0.99380000 Sb NPT= 781 R0=.000010000 RMT= 2.47 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.29750000 Y=0.25000000 Z=0.63750000 MULT= 4 ISPLIT= 8 -8: X=0.70250000 Y=0.75000000 Z=0.36250000 -8: X=0.79750000 Y=0.25000000 Z=0.86250000 -8: X=0.20250000 Y=0.75000000 Z=0.13750000 Sb NPT= 781 R0=.000010000 RMT= 2.47 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000