P LATTICE,NONEQUIV.ATOMS 20 4 P21 MODE OF CALC=RELA unit=bohr 22.512307 11.385600 17.891927 90.000000 90.000000102.910000 ATOM -1: X=0.37437000 Y=0.10430000 Z=0.53154000 MULT= 2 ISPLIT= 8 -1: X=0.62563000 Y=0.89570000 Z=0.03154000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 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 -2: X=0.64142000 Y=0.40470000 Z=0.34799000 MULT= 2 ISPLIT= 8 -2: X=0.35858000 Y=0.59530000 Z=0.84799000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 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=0.13988000 Y=0.90880000 Z=0.20499000 MULT= 2 ISPLIT= 8 -3: X=0.86012000 Y=0.09120000 Z=0.70499000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 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=0.12709000 Y=0.39320000 Z=0.51786000 MULT= 2 ISPLIT= 8 -4: X=0.87291000 Y=0.60680000 Z=0.01786000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 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=0.17630000 Y=0.05040000 Z=0.45420000 MULT= 2 ISPLIT= 8 -5: X=0.82370000 Y=0.94960000 Z=0.95420000 Si NPT= 781 R0=.000100000 RMT= 1.80 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 -6: X=0.16750000 Y=0.53810000 Z=0.29110000 MULT= 2 ISPLIT= 8 -6: X=0.83250000 Y=0.46190000 Z=0.79110000 Si NPT= 781 R0=.000100000 RMT= 1.80 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=0.43360000 Y=0.26690000 Z=0.30880000 MULT= 2 ISPLIT= 8 -7: X=0.56640000 Y=0.73310000 Z=0.80880000 Si NPT= 781 R0=.000100000 RMT= 1.80 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=0.08160000 Y=0.74900000 Z=0.58250000 MULT= 2 ISPLIT= 8 -8: X=0.91840000 Y=0.25100000 Z=0.08250000 Si NPT= 781 R0=.000100000 RMT= 1.80 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 -9: X=0.58010000 Y=0.23670000 Z=0.56940000 MULT= 2 ISPLIT= 8 -9: X=0.41990000 Y=0.76330000 Z=0.06940000 Si NPT= 781 R0=.000100000 RMT= 1.80 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 -10: X=0.33310000 Y=0.04400000 Z=0.12640000 MULT= 2 ISPLIT= 8 -10: X=0.66690000 Y=0.95600000 Z=0.62640000 Si NPT= 781 R0=.000100000 RMT= 1.80 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 -11: X=0.35900000 Y=0.56500000 Z=0.27490000 MULT= 2 ISPLIT= 8 -11: X=0.64100000 Y=0.43500000 Z=0.77490000 Si NPT= 781 R0=.000100000 RMT= 1.80 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 -12: X=0.16290000 Y=0.45340000 Z=0.92140000 MULT= 2 ISPLIT= 8 -12: X=0.83710000 Y=0.54660000 Z=0.42140000 Si NPT= 781 R0=.000100000 RMT= 1.80 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 -13: X=0.85910000 Y=0.06670000 Z=0.29160000 MULT= 2 ISPLIT= 8 -13: X=0.14090000 Y=0.93330000 Z=0.79160000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.06560000 Y=0.24300000 Z=0.74720000 MULT= 2 ISPLIT= 8 -14: X=0.93440000 Y=0.75700000 Z=0.24720000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.38960000 Y=0.23400000 Z=0.93600000 MULT= 2 ISPLIT= 8 -15: X=0.61040000 Y=0.76600000 Z=0.43600000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -16: X=0.32410000 Y=0.46600000 Z=0.61090000 MULT= 2 ISPLIT= 8 -16: X=0.67590000 Y=0.53400000 Z=0.11090000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -17: X=0.66800000 Y=0.04100000 Z=0.27180000 MULT= 2 ISPLIT= 8 -17: X=0.33200000 Y=0.95900000 Z=0.77180000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -18: X=0.41450000 Y=0.75130000 Z=0.46270000 MULT= 2 ISPLIT= 8 -18: X=0.58550000 Y=0.24870000 Z=0.96270000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -19: X=0.10230000 Y=0.25910000 Z=0.12850000 MULT= 2 ISPLIT= 8 -19: X=0.89770000 Y=0.74090000 Z=0.62850000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -20: X=0.92910000 Y=0.26400000 Z=0.47550000 MULT= 2 ISPLIT= 8 -20: X=0.07090000 Y=0.73600000 Z=0.97550000 P NPT= 781 R0=.000100000 RMT= 1.87 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000