H LATTICE,NONEQUIV.ATOMS 8 188 P-6c2 MODE OF CALC=RELA unit=bohr 11.772994 11.772994 37.775625 90.000000 90.000000120.000000 ATOM -1: X=0.33333333 Y=0.66666667 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.33333334 Y=0.66666667 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=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.00000000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 2.00000 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.02567000 Y=0.33133000 Z=0.15630000 MULT=12 ISPLIT=15 -3: X=0.30566000 Y=0.97433000 Z=0.34370000 -3: X=0.66867000 Y=0.97433000 Z=0.84370000 -3: X=0.66867000 Y=0.69434000 Z=0.15630000 -3: X=0.30566000 Y=0.33133000 Z=0.65630000 -3: X=0.02567000 Y=0.33133000 Z=0.34370000 -3: X=0.02567000 Y=0.69434000 Z=0.84370000 -3: X=0.30566000 Y=0.97433000 Z=0.15630000 -3: X=0.66867000 Y=0.97433000 Z=0.65630000 -3: X=0.66867000 Y=0.69434000 Z=0.34370000 -3: X=0.30566000 Y=0.33133000 Z=0.84370000 -3: X=0.02567000 Y=0.69434000 Z=0.65630000 Ta NPT= 781 R0=.000005000 RMT= 2.00000 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.41667000 Y=0.32333000 Z=0.15600000 MULT=12 ISPLIT=15 -4: X=0.90666000 Y=0.58333000 Z=0.34400000 -4: X=0.67667000 Y=0.58333000 Z=0.84400000 -4: X=0.67667000 Y=0.09334000 Z=0.15600000 -4: X=0.90666000 Y=0.32333000 Z=0.65600000 -4: X=0.41667000 Y=0.32333000 Z=0.34400000 -4: X=0.41667000 Y=0.09334000 Z=0.84400000 -4: X=0.90666000 Y=0.58333000 Z=0.15600000 -4: X=0.67667000 Y=0.58333000 Z=0.65600000 -4: X=0.67667000 Y=0.09334000 Z=0.34400000 -4: X=0.90666000 Y=0.32333000 Z=0.84400000 -4: X=0.41667000 Y=0.09334000 Z=0.65600000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 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=0.16400000 MULT= 4 ISPLIT=15 -5: X=0.00000000 Y=0.00000000 Z=0.33600000 -5: X=0.00000000 Y=0.00000000 Z=0.83600000 -5: X=0.00000000 Y=0.00000000 Z=0.66400000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.33333333 Y=0.66666667 Z=0.12700000 MULT= 4 ISPLIT=15 -6: X=0.33333334 Y=0.66666667 Z=0.37300000 -6: X=0.33333333 Y=0.66666667 Z=0.87300000 -6: X=0.33333334 Y=0.66666667 Z=0.62700000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.07767000 Y=0.37433000 Z=0.25000000 MULT= 6 ISPLIT=15 -7: X=0.29666000 Y=0.92233000 Z=0.25000000 -7: X=0.62567000 Y=0.92233000 Z=0.75000000 -7: X=0.62567000 Y=0.70334000 Z=0.25000000 -7: X=0.29666000 Y=0.37433000 Z=0.75000000 -7: X=0.07767000 Y=0.70334000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.03367000 Y=0.27733000 Z=0.06100000 MULT=12 ISPLIT=15 -8: X=0.24366000 Y=0.96633000 Z=0.43900000 -8: X=0.72267000 Y=0.96633000 Z=0.93900000 -8: X=0.72267000 Y=0.75634000 Z=0.06100000 -8: X=0.24366000 Y=0.27733000 Z=0.56100000 -8: X=0.03367000 Y=0.27733000 Z=0.43900000 -8: X=0.03367000 Y=0.75634000 Z=0.93900000 -8: X=0.24366000 Y=0.96633000 Z=0.06100000 -8: X=0.72267000 Y=0.96633000 Z=0.56100000 -8: X=0.72267000 Y=0.75634000 Z=0.43900000 -8: X=0.24366000 Y=0.27733000 Z=0.93900000 -8: X=0.03367000 Y=0.75634000 Z=0.56100000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000