F LATTICE,NONEQUIV.ATOMS 8 225 Fm-3m MODE OF CALC=RELA unit=bohr 31.811839 31.811839 31.811839 90.000000 90.000000 90.000000 ATOM -1: X=0.37380000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT=15 -1: X=0.62620000 Y=0.00000000 Z=0.00000000 -1: X=0.00000000 Y=0.37380000 Z=0.00000000 -1: X=0.00000000 Y=0.62620000 Z=0.00000000 -1: X=0.00000000 Y=0.00000000 Z=0.37380000 -1: X=0.00000000 Y=0.00000000 Z=0.62620000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.08430000 Y=0.08430000 Z=0.25170000 MULT=24 ISPLIT=15 -2: X=0.91570000 Y=0.91570000 Z=0.74830000 -2: X=0.91570000 Y=0.08430000 Z=0.25170000 -2: X=0.08430000 Y=0.91570000 Z=0.74830000 -2: X=0.25170000 Y=0.08430000 Z=0.08430000 -2: X=0.74830000 Y=0.91570000 Z=0.91570000 -2: X=0.91570000 Y=0.91570000 Z=0.25170000 -2: X=0.08430000 Y=0.08430000 Z=0.74830000 -2: X=0.91570000 Y=0.25170000 Z=0.08430000 -2: X=0.08430000 Y=0.74830000 Z=0.91570000 -2: X=0.08430000 Y=0.91570000 Z=0.25170000 -2: X=0.91570000 Y=0.08430000 Z=0.74830000 -2: X=0.74830000 Y=0.91570000 Z=0.08430000 -2: X=0.25170000 Y=0.08430000 Z=0.91570000 -2: X=0.08430000 Y=0.74830000 Z=0.08430000 -2: X=0.91570000 Y=0.25170000 Z=0.91570000 -2: X=0.25170000 Y=0.91570000 Z=0.91570000 -2: X=0.74830000 Y=0.08430000 Z=0.08430000 -2: X=0.08430000 Y=0.25170000 Z=0.91570000 -2: X=0.91570000 Y=0.74830000 Z=0.08430000 -2: X=0.74830000 Y=0.08430000 Z=0.91570000 -2: X=0.25170000 Y=0.91570000 Z=0.08430000 -2: X=0.91570000 Y=0.74830000 Z=0.91570000 -2: X=0.08430000 Y=0.25170000 Z=0.08430000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.08290000 Y=0.08290000 Z=0.08290000 MULT= 8 ISPLIT=15 -3: X=0.91710000 Y=0.91710000 Z=0.91710000 -3: X=0.91710000 Y=0.08290000 Z=0.08290000 -3: X=0.08290000 Y=0.91710000 Z=0.91710000 -3: X=0.91710000 Y=0.91710000 Z=0.08290000 -3: X=0.08290000 Y=0.08290000 Z=0.91710000 -3: X=0.08290000 Y=0.91710000 Z=0.08290000 -3: X=0.91710000 Y=0.08290000 Z=0.91710000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.30880000 Y=0.30880000 Z=0.30880000 MULT= 8 ISPLIT=15 -4: X=0.69120000 Y=0.69120000 Z=0.69120000 -4: X=0.69120000 Y=0.30880000 Z=0.30880000 -4: X=0.30880000 Y=0.69120000 Z=0.69120000 -4: X=0.69120000 Y=0.69120000 Z=0.30880000 -4: X=0.30880000 Y=0.30880000 Z=0.69120000 -4: X=0.30880000 Y=0.69120000 Z=0.30880000 -4: X=0.69120000 Y=0.30880000 Z=0.69120000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 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=0.25000000 Z=0.25000000 MULT= 6 ISPLIT=15 -5: X=0.75000000 Y=0.00000000 Z=0.25000000 -5: X=0.25000000 Y=0.00000000 Z=0.25000000 -5: X=0.00000000 Y=0.75000000 Z=0.25000000 -5: X=0.25000000 Y=0.75000000 Z=0.00000000 -5: X=0.25000000 Y=0.25000000 Z=0.00000000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.16490000 Y=0.16490000 Z=0.16490000 MULT= 8 ISPLIT=15 -6: X=0.83510000 Y=0.83510000 Z=0.83510000 -6: X=0.83510000 Y=0.16490000 Z=0.16490000 -6: X=0.16490000 Y=0.83510000 Z=0.83510000 -6: X=0.83510000 Y=0.83510000 Z=0.16490000 -6: X=0.16490000 Y=0.16490000 Z=0.83510000 -6: X=0.16490000 Y=0.83510000 Z=0.16490000 -6: X=0.83510000 Y=0.16490000 Z=0.83510000 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 -7: X=0.39360000 Y=0.39360000 Z=0.39360000 MULT= 8 ISPLIT=15 -7: X=0.60640000 Y=0.60640000 Z=0.60640000 -7: X=0.60640000 Y=0.39360000 Z=0.39360000 -7: X=0.39360000 Y=0.60640000 Z=0.60640000 -7: X=0.60640000 Y=0.60640000 Z=0.39360000 -7: X=0.39360000 Y=0.39360000 Z=0.60640000 -7: X=0.39360000 Y=0.60640000 Z=0.39360000 -7: X=0.60640000 Y=0.39360000 Z=0.60640000 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 -8: X=0.17180000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT=15 -8: X=0.82820000 Y=0.00000000 Z=0.00000000 -8: X=0.00000000 Y=0.17180000 Z=0.00000000 -8: X=0.00000000 Y=0.82820000 Z=0.00000000 -8: X=0.00000000 Y=0.00000000 Z=0.17180000 -8: X=0.00000000 Y=0.00000000 Z=0.82820000 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