P LATTICE,NONEQUIV.ATOMS 5 92 P41212 MODE OF CALC=RELA unit=bohr 15.229303 15.229303 29.196269 90.000000 90.000000 90.000000 ATOM -1: X=0.12470000 Y=0.48770000 Z=0.44970000 MULT= 8 ISPLIT=15 -1: X=0.01230000 Y=0.62470000 Z=0.69970000 -1: X=0.62470000 Y=0.01230000 Z=0.30030000 -1: X=0.87530000 Y=0.51230000 Z=0.94970000 -1: X=0.48770000 Y=0.12470000 Z=0.55030000 -1: X=0.98770000 Y=0.37530000 Z=0.19970000 -1: X=0.37530000 Y=0.98770000 Z=0.80030000 -1: X=0.51230000 Y=0.87530000 Z=0.05030000 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=0.12650000 Y=0.01910000 Z=0.37400000 MULT= 8 ISPLIT=15 -2: X=0.48090000 Y=0.62650000 Z=0.62400000 -2: X=0.62650000 Y=0.48090000 Z=0.37600000 -2: X=0.87350000 Y=0.98090000 Z=0.87400000 -2: X=0.01910000 Y=0.12650000 Z=0.62600000 -2: X=0.51910000 Y=0.37350000 Z=0.12400000 -2: X=0.37350000 Y=0.51910000 Z=0.87600000 -2: X=0.98090000 Y=0.87350000 Z=0.12600000 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=0.19160000 Y=0.19160000 Z=0.00000000 MULT= 4 ISPLIT=15 -3: X=0.30840000 Y=0.69160000 Z=0.25000000 -3: X=0.69160000 Y=0.30840000 Z=0.75000000 -3: X=0.80840000 Y=0.80840000 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 -4: X=0.33060000 Y=0.30200000 Z=0.29800000 MULT= 8 ISPLIT=15 -4: X=0.19800000 Y=0.83060000 Z=0.54800000 -4: X=0.83060000 Y=0.19800000 Z=0.45200000 -4: X=0.66940000 Y=0.69800000 Z=0.79800000 -4: X=0.30200000 Y=0.33060000 Z=0.70200000 -4: X=0.80200000 Y=0.16940000 Z=0.04800000 -4: X=0.16940000 Y=0.80200000 Z=0.95200000 -4: X=0.69800000 Y=0.66940000 Z=0.20200000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.28940000 Y=0.07920000 Z=0.19100000 MULT= 8 ISPLIT=15 -5: X=0.42080000 Y=0.78940000 Z=0.44100000 -5: X=0.78940000 Y=0.42080000 Z=0.55900000 -5: X=0.71060000 Y=0.92080000 Z=0.69100000 -5: X=0.07920000 Y=0.28940000 Z=0.80900000 -5: X=0.57920000 Y=0.21060000 Z=0.94100000 -5: X=0.21060000 Y=0.57920000 Z=0.05900000 -5: X=0.92080000 Y=0.71060000 Z=0.30900000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000