remarks file: xtallib/anom_cu.lib remarks Atomic scattering factors with CuKa anomalous contribution. remarks Library for X-PLOR(online) remarks remarks Authors: Paul Adams, Joe Jaeger, and Axel T. Brunger !Note: the f' contribution has been added to the constant c ! !BEWARE: !(1) element Cf has to be referred to as Cff !(2) element Sm has to be referred to as Smm !(3) types of elements with ionic state (i.e., +/-) specifications have ! to be put in double quotes in selection statements. set echo=false end set message=off end SCATter ( chemical "He" or chemical "HE" ) 0.873400 9.103700 0.630900 3.356800 0.311200 22.927601 0.178000 0.982100 0.006400 FDP 0.000000 SCATter ( chemical "Li" or chemical "LI" ) 1.128200 3.954600 0.750800 1.052400 0.617500 85.390503 0.465300 168.261002 0.038700 FDP 0.000000 SCATter ( chemical "Li+1" or chemical "LI+1" ) 0.696800 4.623700 0.788800 1.955700 0.341400 0.631600 0.156300 10.095300 0.017700 FDP 0.000000 SCATter ( chemical "Be" or chemical "BE" ) 1.591900 43.642700 1.127800 1.862300 0.539100 103.483002 0.702900 0.542000 0.041500 FDP 0.001000 SCATter ( chemical "Be+2" or chemical "BE+2" ) 6.260300 0.002700 0.884900 0.831300 0.799300 2.275800 0.164700 5.114600 -6.106200 FDP 0.001000 SCATter ( chemical "B" ) 2.054500 23.218500 1.332600 1.021000 1.097900 60.349800 0.706800 0.140300 -0.185200 FDP 0.004000 SCATter ( chemical C* and not ( chem "Ca" or chem "CA" or chem "Ca+2" or chem "CA+2" or chem "Ce" or chem "CE" or chem "Ce+3" or chem "CE+3" or chem "Ce+4" or chem "CE+4" or chem "Co" or chem "CO" or chem "Co+2" or chem "CO+2" or chem "Co+3" or chem "CO+3" or chem "Cr" or chem "CR" or chem "Cr+2" or chem "CR+2" or chem "Cr+3" or chem "CR+3" or chem "Cu" or chem "CU" or chem "Cu+1" or chem "CU+1" or chem "Cd" or chem "CD" or chem "Cd+2" or chem "CD+2" or chem "Cs" or chem "CS" or chem "Cs+1" or chem "CS+1" or chem "Cm" or chem "CM" or chem "Cl" or chem "CL" or chem "Cl-1" or chem "CL-1" or chem "Cff" or chem "CFF" )) 2.310000 20.843899 1.020000 10.207500 1.588600 0.568700 0.865000 51.651199 0.232600 FDP 0.009000 SCATter ( chemical "Cv" or chemical "CV" ) 2.260690 22.690701 1.561650 0.656665 1.050750 9.756180 0.839259 55.594898 0.303977 FDP 0.009000 SCATter ( chemical N* and not ( chem "Ne" or chem "NE" or chem "Na" or chem "NA" or chem "Na+1" or chem "NA+1" or chem "Ni" or chem "NI" or chem "Ni+2" or chem "NI+2" or chem "Ni+3" or chem "NI+3" or chem "Nb" or chem "NB" or chem "Nb+3" or chem "NB+3" or chem "Nb+5" or chem "NB+5" or chem "Nd" or chem "ND" or chem "Nd+3" or chem "ND+3" or chem "Np" or chem "NP" or chem "Np+3" or chem "NP+3" or chem "Np+4" or chem "NP+4" or chem "Np+6" or chem "NP+6" )) 12.212600 0.005700 3.132200 9.893300 2.012500 28.997499 1.166300 0.582600 -11.499999 FDP 0.018000 SCATter ( chemical O* and not ( chem "Os" or chem "OS" or chem "Os+4" or chem "OS+4" ) ) 3.048500 13.277100 2.286800 5.701100 1.546300 0.323900 0.867000 32.908897 0.297800 FDP 0.032000 SCATter ( chemical "O-1" or chemical "O-1" ) 4.191600 12.857300 1.639690 4.172360 1.526730 47.017899 -20.306999 -0.014040 21.988200 FDP 0.032000 SCATter ( chemical "F" ) 3.539200 10.282499 2.641200 4.294400 1.517000 0.261500 1.024300 26.147600 0.346600 FDP 0.053000 SCATter ( chemical "F-1" or chemical "F-1" ) 3.632200 5.277560 3.510570 14.735300 1.260640 0.442258 0.940706 47.343700 0.722396 FDP 0.053000 SCATter ( chemical "Ne" or chemical "NE" ) 3.955300 8.404200 3.112500 3.426200 1.454600 0.230600 1.125100 21.718399 0.448500 FDP 0.083000 SCATter ( chemical "Na" or chemical "NA" ) 4.762600 3.285000 3.173600 8.842199 1.267400 0.313600 1.112800 129.423996 0.805000 FDP 0.124000 SCATter ( chemical "Na+1" or chemical "NA+1" ) 3.256500 2.667100 3.936200 6.115300 1.399800 0.200100 1.003200 14.039000 0.533000 FDP 0.124000 SCATter ( chemical "Mg" or chemical "MG" ) 5.420400 2.827500 2.173500 79.261101 1.226900 0.380800 2.307300 7.193700 1.023400 FDP 0.177000 SCATter ( chemical "Mg+2" or chemical "MG+2" ) 3.498800 2.167600 3.837800 4.754200 1.328400 0.185000 0.849700 10.141100 0.650300 FDP 0.177000 SCATter ( chemical "Al" or chemical "AL" ) 6.420200 3.038700 1.900200 0.742600 1.593600 31.547199 1.964600 85.088600 1.319100 FDP 0.246000 SCATter ( chemical "Al+3" or chemical "AL+3" ) 4.174480 1.938160 3.387600 4.145530 1.202960 0.228753 0.528137 8.285240 0.910786 FDP 0.246000 SCATter ( chemical "Si" or chemical "SI" ) 6.291500 2.438600 3.035300 32.333698 1.989100 0.678500 1.541000 81.693695 1.384700 FDP 0.330000 SCATter ( chemical "Siv" or chemical "SIV" ) 5.662690 2.665200 3.071640 38.663399 2.624460 0.916946 1.393200 93.545799 1.491070 FDP 0.330000 SCATter ( chemical "Si+4" or chemical "SI+4" ) 4.439180 1.641670 3.203450 3.437570 1.194530 0.214900 0.416530 6.653650 0.990297 FDP 0.330000 SCATter ( chemical P* and not ( chem "Pd" or chem "Pr" or chem "Pm" or chem "Pt" or chem "Pb" or chem "Po" or chem "Pa" or chem "Pu" or chem "PD" or chem "PR" or chem "PM" or chem "PT" or chem "PB" or chem "PO" or chem "PA" or chem "PU" or chem "Pr+3" or chem "PR+3" or chem "Pr+4" or chem "PR+4" or chem "Pm+3" or chem "PM+3" or chem "Pt+2" or chem "PT+2" or chem "Pt+4" or chem "PT+4" or chem "Pb+2" or chem "PB+2" or chem "Pb+4" or chem "PB+4" or chem "Pu+3" or chem "PU+3" or chem "Pu+4" or chem "PU+4" or chem "Pu+6" or chem "PU+6" )) 6.434500 1.906700 4.179100 27.157000 1.780000 0.526000 1.490800 68.164497 1.397900 FDP 0.434000 SCATter ( chemical S* and not ( chem "Sc" or chem "SC" or chem "Sc+3" or chem "SC+3" or chem "Se" or chem "SE" or chem "Sr" or chem "SR" or chem "Sr+2" or chem "SR+2" or chem "Sn" or chem "SN" or chem "Sn+2" or chem "SN+2" or chem "Sn+4" or chem "SN+4" or chem "Sb" or chem "SB" or chem "Sb+3" or chem "SB+3" or chem "Sb+5" or chem "SB+5" or chem "Smm" or chem "SMM" or chem "Sm+3" or chem "SM+3" or chem "Si" or chem "SI" or chem "Si+4" or chem "SI+4" )) 6.905300 1.467900 5.203400 22.215099 1.437900 0.253600 1.586300 56.172001 1.185900 FDP 0.557000 SCATter ( chemical "Cl" or chemical "CL" ) 11.460400 0.010400 7.196400 1.166200 6.255600 18.519400 1.645500 47.778400 -9.209400 FDP 0.702000 SCATter ( chemical "Cl-1" or chemical "CL-1" ) 18.291500 0.006600 7.208400 1.171700 6.533700 19.542400 2.338600 60.448601 -16.030000 FDP 0.702000 SCATter ( chemical "Ar" or chemical "AR" ) 7.484500 0.907200 6.772300 14.840700 0.653900 43.898300 1.644200 33.392899 1.810500 FDP 0.872000 SCATter ( chemical "K" ) 8.218599 12.794900 7.439800 0.774800 1.051900 213.186996 0.865900 41.684097 1.787800 FDP 1.066000 SCATter ( chemical "K+1" or chemical "K+1" ) 7.957800 12.633100 7.491700 0.767400 6.359000 -0.002000 1.191500 31.912800 -4.632800 FDP 1.066000 SCATter ( chemical "Ca" or chemical "CA" ) 8.626600 10.442100 7.387300 0.659900 1.589900 85.748398 1.021100 178.436996 1.716100 FDP 1.286000 SCATter ( chemical "Ca+2" or chemical "CA+2" ) 15.634800 -0.007400 7.951800 0.608900 8.437200 10.311600 0.853700 25.990499 -14.534000 FDP 1.286000 SCATter ( chemical "Sc" or chemical "SC" ) 9.189000 9.021299 7.367900 0.572900 1.640900 136.108002 1.468000 51.353100 1.617900 FDP 1.533000 SCATter ( chemical "Sc+3" or chemical "SC+3" ) 14.400800 0.298540 8.027300 7.962900 1.659430 -0.286040 1.579360 16.066200 -6.381700 FDP 1.533000 SCATter ( chemical "Ti" or chemical "TI" ) 9.759500 7.850800 7.355800 0.500000 1.699100 35.633801 1.902100 116.104996 1.469700 FDP 1.807000 SCATter ( chemical "Ti+2" or chemical "TI+2" ) 9.114230 7.524300 7.621740 0.457585 2.279300 19.536100 0.087899 61.655800 1.086155 FDP 1.807000 SCATter ( chemical "Ti+3" or chemical "TI+3" ) 17.734400 0.220610 8.738160 7.047160 5.256910 -0.157620 1.921340 15.976800 -14.463000 FDP 1.807000 SCATter ( chemical "Ti+4" or chemical "TI+4" ) 19.511400 0.178847 8.234730 6.670180 2.013410 -0.292630 1.520800 12.946400 -13.091000 FDP 1.807000 SCATter ( chemical "V" ) 10.297100 6.865700 7.351100 0.438500 2.070300 26.893799 2.057100 102.477997 1.254900 FDP 2.110000 SCATter ( chemical "V+2" or chemical "V+2" ) 10.106000 6.881800 7.354100 0.440900 2.288400 20.300400 0.022300 115.122002 1.264800 FDP 2.110000 SCATter ( chemical "V+3" or chemical "V+3" ) 9.431410 6.395350 7.741900 0.383349 2.153430 15.190800 0.016865 63.969002 0.691565 FDP 2.110000 SCATter ( chemical "V+5" or chemical "V+5" ) 15.688700 0.679003 8.142080 5.401350 2.030810 9.972780 -9.576000 0.940464 1.749300 FDP 2.110000 SCATter ( chemical "Cr" or chemical "CR" ) 10.640600 6.103800 7.353700 0.392000 3.324000 20.262600 1.492200 98.739899 0.985200 FDP 2.443000 SCATter ( chemical "Cr+2" or chemical "CR+2" ) 9.540340 5.660780 7.750900 0.344261 3.582740 13.307500 0.509107 32.422401 0.418898 FDP 2.443000 SCATter ( chemical "Cr+3" or chemical "CR+3" ) 9.680900 5.594630 7.811360 0.334393 2.876030 12.828800 0.113575 32.876099 0.320275 FDP 2.443000 SCATter ( chemical "Mn" or chemical "MN" ) 11.281900 5.340900 7.357300 0.343200 3.019300 17.867399 2.244100 83.754303 0.521600 FDP 2.808000 SCATter ( chemical "Mn+2" or chemical "MN+2" ) 10.806100 5.279600 7.362000 0.343500 3.526800 14.343000 0.218400 41.323502 0.519400 FDP 2.808000 SCATter ( chemical "Mn+3" or chemical "MN+3" ) 9.845210 4.917970 7.871940 0.294393 3.565310 10.817100 0.323613 24.128099 -0.174026 FDP 2.808000 SCATter ( chemical "Mn+4" or chemical "MN+4" ) 9.962530 4.848500 7.970570 0.283303 2.760670 10.485200 0.054447 27.573000 -0.316123 FDP 2.808000 SCATter ( chemical "Fe" or chemical "FE" ) 11.769500 4.761100 7.357300 0.307200 3.522200 15.353500 2.304500 76.880501 -0.142100 FDP 3.204000 SCATter ( chemical "Fe+2" or chemical "FE+2" ) 11.042400 4.653800 7.374000 0.305300 4.134600 12.054600 0.439900 31.280899 -0.169300 FDP 3.204000 SCATter ( chemical "Fe+3" or chemical "FE+3" ) 11.176400 4.614700 7.386300 0.300500 3.394800 11.672900 0.072400 38.556599 -0.208300 FDP 3.204000 SCATter ( chemical "Co" or chemical "CO" ) 12.284100 4.279100 7.340900 0.278400 4.003400 13.535900 2.348800 71.169197 -1.452200 FDP 3.608000 SCATter ( chemical "Co+2" or chemical "CO+2" ) 11.229600 4.123100 7.388300 0.272600 4.739300 10.244300 0.710800 25.646599 -1.531600 FDP 3.608000 SCATter ( chemical "Co+3" or chemical "CO+3" ) 10.337999 3.909690 7.881730 0.238668 4.767950 8.355830 0.725591 18.349100 -2.177333 FDP 3.608000 SCATter ( chemical "Ni" or chemical "NI" ) 12.837600 3.878500 7.292000 0.256500 4.443800 12.176300 2.380000 66.342102 -1.921900 FDP 0.509000 SCATter ( chemical "Ni+2" or chemical "NI+2" ) 11.416600 3.676600 7.400500 0.244900 5.344200 8.873000 0.977300 22.162600 -2.094600 FDP 0.509000 SCATter ( chemical "Ni+3" or chemical "NI+3" ) 10.780600 3.547700 7.758680 0.223140 5.227460 7.644680 0.847114 16.967300 -2.569956 FDP 0.509000 SCATter ( chemical "Cu" or chemical "CU" ) 13.337999 3.582800 7.167600 0.247000 5.615800 11.396600 1.673500 64.812599 -0.828000 FDP 0.589000 SCATter ( chemical "Cu+1" or chemical "CU+1" ) 11.947500 3.366900 7.357300 0.227400 6.245500 8.662500 1.557800 25.848700 -1.129000 FDP 0.589000 SCATter ( chemical "Cu+2" or chemical "CU+2" ) 11.816800 3.374840 7.111810 0.244078 5.781350 7.987600 1.145230 19.896999 -0.874690 FDP 0.589000 SCATter ( chemical "Zn" or chemical "ZN" ) 14.074300 3.265500 7.031800 0.233300 5.162500 10.316299 2.410000 58.709702 -0.307900 FDP 0.678000 SCATter ( chemical "Zn+2" or chemical "ZN+2" ) 11.971900 2.994600 7.386200 0.203100 6.466800 7.082600 1.394000 18.099499 -0.831300 FDP 0.678000 SCATter ( chemical "Ga" or chemical "GA" ) 15.235400 3.066900 6.700600 0.241200 4.359100 10.780500 2.962300 61.413498 0.364900 FDP 0.777000 SCATter ( chemical "Ga+3" or chemical "GA+3" ) 12.691999 2.812620 6.698830 0.227890 6.066920 6.364410 1.006600 14.412200 0.181450 FDP 0.777000 SCATter ( chemical "Ge" or chemical "GE" ) 16.081600 2.850900 6.374700 0.251600 3.706800 11.446800 3.683000 54.762501 0.968300 FDP 0.886000 SCATter ( chemical "Ge+4" or chemical "GE+4" ) 12.917200 2.537180 6.700030 0.205855 6.067910 5.479130 0.859041 11.603000 0.292720 FDP 0.886000 SCATter ( chemical "As" or chemical "AS" ) 16.672300 2.634500 6.070100 0.264700 3.431300 12.947900 4.277900 47.797199 1.520000 FDP 1.006000 SCATter ( chemical "Se" or chemical "SE" ) 17.000599 2.409800 5.819600 0.272600 3.973100 15.237200 4.354300 43.816299 1.961900 FDP 1.139000 SCATter ( chemical "Br" or chemical "BR" ) 17.178900 2.172300 5.235800 16.579599 5.637700 0.260900 3.985100 41.432800 2.188700 FDP 1.283000 SCATter ( chemical "Br-1" or chemical "BR-1" ) 17.171799 2.205900 6.333800 19.334499 5.575400 0.287100 3.727200 58.153500 2.410600 FDP 1.283000 SCATter ( chemical "Kr" or chemical "KR" ) 17.355499 1.938400 6.728600 16.562300 5.549300 0.226100 3.537500 39.397202 2.160000 FDP 1.439000 SCATter ( chemical "Rb" or chemical "RB" ) 17.178400 1.788800 9.643499 17.315100 5.139900 0.274800 1.529200 164.933990 2.913300 FDP 1.608000 SCATter ( chemical "Rb+1" or chemical "RB+1" ) 17.581600 1.713900 7.659800 14.795700 5.898100 0.160300 2.781700 31.208700 1.504200 FDP 1.608000 SCATter ( chemical "Sr" or chemical "SR" ) 17.566299 1.556400 9.818399 14.098800 5.422000 0.166400 2.669400 132.376007 2.041400 FDP 1.820000 SCATter ( chemical "Sr+2" or chemical "SR+2" ) 18.087400 1.490700 8.137300 12.696300 2.565400 24.565100 -34.193001 -0.013800 40.937500 FDP 1.820000 SCATter ( chemical "Y" ) 17.775999 1.402900 10.294600 12.800600 5.726290 0.125599 3.265880 104.353996 1.526130 FDP 2.025000 SCATter ( chemical "Y+3" or chemical "Y+3" ) 17.926800 1.354170 9.153100 11.214500 1.767950 22.659901 -33.108002 -0.013190 39.874201 FDP 2.025000 SCATter ( chemical "Zr" or chemical "ZR" ) 17.876499 1.276180 10.948000 11.916000 5.417320 0.117622 3.657210 87.662697 1.755290 FDP 2.245000 SCATter ( chemical "Zr+4" or chemical "ZR+4" ) 18.166800 1.214800 10.056200 10.148300 1.011180 21.605400 -2.647900 -0.102760 9.100539 FDP 2.245000 SCATter ( chemical "Nb" or chemical "NB" ) 17.614201 1.188650 12.014400 11.766000 4.041830 0.204785 3.533460 69.795700 3.507910 FDP 2.482000 SCATter ( chemical "Nb+3" or chemical "NB+3" ) 19.881199 0.019175 18.065300 1.133050 11.017700 10.162100 1.947150 28.338900 -13.160000 FDP 2.482000 SCATter ( chemical "Nb+5" or chemical "NB+5" ) 17.916300 1.124460 13.341700 0.028781 10.799000 9.282060 0.337905 25.722799 -6.641400 FDP 2.482000 SCATter ( chemical "Mo" or chemical "MO" ) 3.702500 0.277200 17.235600 1.095800 12.887600 11.004000 3.742900 61.658401 4.196500 FDP 2.735000 SCATter ( chemical "Mo+3" or chemical "MO+3" ) 21.166401 0.014734 18.201700 1.030310 11.742300 9.536590 2.309510 26.630699 -14.612000 FDP 2.735000 SCATter ( chemical "Mo+5" or chemical "MO+5" ) 21.014900 0.014345 18.099199 1.022380 11.463200 8.788090 0.740625 23.345200 -14.507000 FDP 2.735000 SCATter ( chemical "Mo+6" or chemical "MO+6" ) 17.887100 1.036490 11.175000 8.480610 6.578910 0.058881 0.000000 0.000000 0.153941 FDP 2.735000 SCATter ( chemical "Tc" or chemical "TC" ) 19.130100 0.864132 11.094800 8.144870 4.649010 21.570700 2.712630 86.847198 5.259280 FDP 3.005000 SCATter ( chemical "Ru" or chemical "RU" ) 19.267399 0.808520 12.918200 8.434669 4.863370 24.799700 1.567560 94.292801 5.273740 FDP 3.296000 SCATter ( chemical "Ru+3" or chemical "RU+3" ) 18.563801 0.847329 13.288500 8.371640 9.326019 0.017662 3.009640 22.886999 -3.294200 FDP 3.296000 SCATter ( chemical "Ru+4" or chemical "RU+4" ) 18.500299 0.844582 13.178699 8.125340 4.713040 0.364950 2.185350 20.850399 1.318570 FDP 3.296000 SCATter ( chemical "Rh" or chemical "RH" ) 19.295700 0.751536 14.350100 8.217580 4.734250 25.874901 1.289180 98.606201 5.251000 FDP 3.605000 SCATter ( chemical "Rh+3" or chemical "RH+3" ) 18.878500 0.764252 14.125900 7.844380 3.325150 21.248699 -6.198900 -0.010360 11.790800 FDP 3.605000 SCATter ( chemical "Rh+4" or chemical "RH+4" ) 18.854500 0.760825 13.980600 7.624360 2.534640 19.331699 -5.652600 -0.010200 11.206500 FDP 3.605000 SCATter ( chemical "Pd" or chemical "PD" ) 19.331900 0.698655 15.501699 7.989290 5.295370 25.205200 0.605844 76.898598 5.206930 FDP 3.934000 SCATter ( chemical "Pd+2" or chemical "PD+2" ) 19.170099 0.696219 15.209600 7.555730 4.322340 22.505699 0.000000 0.000000 5.232600 FDP 3.934000 SCATter ( chemical "Pd+4" or chemical "PD+4" ) 19.249300 0.683839 14.790000 7.148330 2.892890 17.914400 -7.949200 0.005127 12.958400 FDP 3.934000 SCATter ( chemical "Ag" or chemical "AG" ) 19.280800 0.644600 16.688499 7.472600 4.804500 24.660500 1.046300 99.815598 5.119000 FDP 4.282000 SCATter ( chemical "Ag+1" or chemical "AG+1" ) 19.181200 0.646179 15.971900 7.191230 5.274750 21.732599 0.357534 66.114700 5.155720 FDP 4.282000 SCATter ( chemical "Ag+2" or chemical "AG+2" ) 19.164299 0.645643 16.245600 7.185440 4.370900 21.407200 0.000000 0.000000 5.154040 FDP 4.282000 SCATter ( chemical "Cd" or chemical "CD" ) 19.221399 0.594600 17.644400 6.908900 4.461000 24.700800 1.602900 87.482498 4.990400 FDP 4.653000 SCATter ( chemical "Cd+2" or chemical "CD+2" ) 19.151400 0.597922 17.253500 6.806390 4.471280 20.252100 0.000000 0.000000 5.040370 FDP 4.653000 SCATter ( chemical "In" or chemical "IN" ) 19.162399 0.547600 18.559601 6.377600 4.294800 25.849899 2.039600 92.802902 4.813100 FDP 5.045000 SCATter ( chemical "In+3" or chemical "IN+3" ) 19.104500 0.551522 18.110800 6.324700 3.788970 17.359501 0.000000 0.000000 4.870350 FDP 5.045000 SCATter ( chemical "Sn" or chemical "SN" ) 19.188900 5.830300 19.100500 0.503100 4.458500 26.890900 2.466300 83.957100 4.588100 FDP 5.459000 SCATter ( chemical "Sn+2" or chemical "SN+2" ) 19.109400 0.503600 19.054800 5.837800 4.564800 23.375200 0.487000 62.206100 4.592100 FDP 5.459000 SCATter ( chemical "Sn+4" or chemical "SN+4" ) 18.933300 5.764000 19.713100 0.465500 3.418200 14.004900 0.019300 -0.758300 3.724200 FDP 5.459000 SCATter ( chemical "Sb" or chemical "SB" ) 19.641800 5.303400 19.045500 0.460700 5.037100 27.907400 2.682700 75.282501 4.303900 FDP 5.894000 SCATter ( chemical "Sb+3" or chemical "SB+3" ) 18.975500 0.467196 18.932999 5.221260 5.107890 19.590200 0.288753 55.511299 4.409260 FDP 5.894000 SCATter ( chemical "Sb+5" or chemical "SB+5" ) 19.868500 5.448530 19.030199 0.467973 2.412530 14.125900 0.000000 0.000000 4.405630 FDP 5.894000 SCATter ( chemical "Te" or chemical "TE" ) 19.964399 4.817420 19.013800 0.420885 6.144870 28.528400 2.523900 70.840302 3.934000 FDP 6.352000 SCATter ( chemical "I" ) 20.147200 4.347000 18.994900 0.381400 7.513800 27.765999 2.273500 66.877602 3.492200 FDP 6.835000 SCATter ( chemical "I-1" or chemical "I-1" ) 20.233200 4.357900 18.997000 0.381500 7.806900 29.525900 2.886800 84.930397 3.492400 FDP 6.835000 SCATter ( chemical "Xe" or chemical "XE" ) 20.293301 3.928200 19.029800 0.344000 8.976700 26.465900 1.990000 64.265800 2.928800 FDP 7.348000 SCATter ( chemical "Cs" or chemical "CS" ) 20.389200 3.569000 19.106199 0.310700 10.662000 24.387899 1.495300 213.903992 2.313200 FDP 7.904000 SCATter ( chemical "Cs+1" or chemical "CS+1" ) 20.352400 3.552000 19.127800 0.308600 10.282100 23.712799 0.961500 59.456497 2.257100 FDP 7.904000 SCATter ( chemical "Ba" or chemical "BA" ) 20.336100 3.216000 19.297001 0.275600 10.888000 20.207300 2.695900 167.201996 1.439100 FDP 8.460000 SCATter ( chemical "Ba+2" or chemical "BA+2" ) 20.180700 3.213670 19.113600 0.283310 10.905399 20.055799 0.776340 51.745998 1.695020 FDP 8.460000 SCATter ( chemical "La" or chemical "LA" ) 20.577999 2.948170 19.598999 0.244475 11.372700 18.772600 3.287190 133.123993 0.430780 FDP 9.035999 SCATter ( chemical "La+3" or chemical "LA+3" ) 20.248899 2.920700 19.376301 0.250698 11.632299 17.821100 0.336048 54.945297 0.692600 FDP 9.035999 SCATter ( chemical "Ce" or chemical "CE" ) 21.167099 2.812190 19.769501 0.226836 11.851299 17.608299 3.330490 127.112999 -0.307360 FDP 9.648000 SCATter ( chemical "Ce+3" or chemical "CE+3" ) 20.803600 2.776910 19.559000 0.231540 11.936900 16.540800 0.612376 43.169201 -0.079870 FDP 9.648000 SCATter ( chemical "Ce+4" or chemical "CE+4" ) 20.323500 2.659410 19.818600 0.218850 12.123300 15.799200 0.144583 62.235500 -0.578200 FDP 9.648000 SCATter ( chemical "Pr" or chemical "PR" ) 22.043999 2.773930 19.669701 0.222087 12.385600 16.766899 2.824280 143.643997 -0.880700 FDP 10.535000 SCATter ( chemical "Pr+3" or chemical "PR+3" ) 21.372700 2.645200 19.749100 0.214299 12.132900 15.323000 0.975180 36.406502 -1.167680 FDP 10.535000 SCATter ( chemical "Pr+4" or chemical "PR+4" ) 20.941299 2.544670 20.053900 0.202481 12.466800 14.813700 0.296689 45.464298 -1.696150 FDP 10.535000 SCATter ( chemical "Nd" or chemical "ND" ) 22.684500 2.662480 19.684700 0.210628 12.774000 15.885000 2.851370 137.903000 -1.446140 FDP 10.933000 SCATter ( chemical "Nd+3" or chemical "ND+3" ) 21.961000 2.527220 19.933899 0.199237 12.120000 14.178300 1.510310 30.871700 -1.955120 FDP 10.933000 SCATter ( chemical "Pm" or chemical "PM" ) 23.340500 2.562700 19.609501 0.202088 13.123500 15.100900 2.875160 132.720993 -2.328240 FDP 11.614000 SCATter ( chemical "Pm+3" or chemical "PM+3" ) 22.552700 2.417400 20.110800 0.185769 12.067100 13.127500 2.074920 27.449100 -3.162010 FDP 11.614000 SCATter ( chemical "Smm" or chemical "SMM" ) 24.004200 2.472740 19.425800 0.196451 13.439600 14.399600 2.896040 128.007004 -3.486370 FDP 12.320000 SCATter ( chemical "Sm+3" or chemical "SM+3" ) 23.150400 2.316410 20.259899 0.174081 11.920200 12.157100 2.714880 24.824200 -4.741414 FDP 12.320000 SCATter ( chemical "Eu" or chemical "EU" ) 24.627399 2.387900 19.088600 0.194200 13.760300 13.754600 2.922700 123.173996 -5.143500 FDP 11.276000 SCATter ( chemical "Eu+2" or chemical "EU+2" ) 24.006300 2.277830 19.950399 0.173530 11.803400 11.609600 3.872430 26.515600 -6.354110 FDP 11.276000 SCATter ( chemical "Eu+3" or chemical "EU+3" ) 23.749699 2.222580 20.374500 0.163940 11.850900 11.311000 3.265030 22.996599 -6.958656 FDP 11.276000 SCATter ( chemical "Gd" or chemical "GD" ) 25.070900 2.253410 19.079800 0.181951 13.851800 12.933100 3.545450 101.397995 -6.822400 FDP 11.946000 SCATter ( chemical "Gd+3" or chemical "GD+3" ) 24.346600 2.135530 20.420799 0.155525 11.870800 10.578199 3.714900 21.702900 -8.596911 FDP 11.946000 SCATter ( chemical "Tb" or chemical "TB" ) 25.897600 2.242560 18.218500 0.196143 14.316700 12.664800 2.953540 115.362000 -5.915760 FDP 9.242000 SCATter ( chemical "Tb+3" or chemical "TB+3" ) 24.955900 2.056010 20.327099 0.149525 12.247100 10.049900 3.773000 21.277300 -8.806033 FDP 9.242000 SCATter ( chemical "Dy" or chemical "DY" ) 26.507000 2.180200 17.638300 0.202172 14.559600 12.189899 2.965770 111.874001 -6.125720 FDP 9.748000 SCATter ( chemical "Dy+3" or chemical "DY+3" ) 25.539499 1.980400 20.286100 0.143384 11.981200 9.349720 4.500730 19.580999 -9.733310 FDP 9.748000 SCATter ( chemical "Ho" or chemical "HO" ) 26.904900 2.070510 17.293999 0.197940 14.558300 11.440700 3.638370 92.656601 -7.687040 FDP 3.704000 SCATter ( chemical "Ho+3" or chemical "HO+3" ) 26.129601 1.910720 20.099400 0.139358 11.978800 8.800180 4.936760 18.590799 -11.402205 FDP 3.704000 SCATter ( chemical "Er" or chemical "ER" ) 27.656300 2.073560 16.428499 0.223545 14.977900 11.360400 2.982330 105.703003 -3.812540 FDP 3.937000 SCATter ( chemical "Er+3" or chemical "ER+3" ) 26.722000 1.846590 19.774799 0.137290 12.150600 8.362249 5.173790 17.897400 -8.556870 FDP 3.937000 SCATter ( chemical "Tm" or chemical "TM" ) 28.181900 2.028590 15.885099 0.238849 15.154200 10.997499 2.987060 102.960999 -1.731790 FDP 4.181000 SCATter ( chemical "Tm+3" or chemical "TM+3" ) 27.308300 1.787110 19.332001 0.136974 12.333900 7.967780 5.383480 17.292200 -6.848710 FDP 4.181000 SCATter ( chemical "Yb" or chemical "YB" ) 28.664101 1.988900 15.434500 0.257119 15.308700 10.664700 2.989630 100.417000 -0.134280 FDP 4.432000 SCATter ( chemical "Yb+2" or chemical "YB+2" ) 28.120899 1.785030 17.681700 0.159970 13.333500 8.183040 5.146570 20.389999 -3.991170 FDP 4.432000 SCATter ( chemical "Yb+3" or chemical "YB+3" ) 27.891701 1.732720 18.761400 0.138790 12.607200 7.644120 5.476470 16.814301 -5.440990 FDP 4.432000 SCATter ( chemical "Lu" or chemical "LU" ) 28.947599 1.901820 15.220800 9.985189 15.100000 0.261033 3.716010 84.329803 0.843280 FDP 4.693000 SCATter ( chemical "Lu+3" or chemical "LU+3" ) 28.462799 1.682160 18.121000 0.142292 12.842899 7.337270 5.594150 16.353500 -4.157270 FDP 4.693000 SCATter ( chemical "Hf" or chemical "HF" ) 29.143999 1.832620 15.172600 9.599899 14.758600 0.275116 4.300130 72.028999 1.866540 FDP 4.977000 SCATter ( chemical "Hf+4" or chemical "HF+4" ) 28.813099 1.591360 18.460100 0.128903 12.728500 6.762320 5.599270 14.036600 -4.318010 FDP 4.977000 SCATter ( chemical "Ta" or chemical "TA" ) 29.202400 1.773330 15.229300 9.370460 14.513500 0.295977 4.764920 63.364399 2.892540 FDP 5.271000 SCATter ( chemical "Ta+5" or chemical "TA+5" ) 29.158699 1.507110 18.840700 0.116741 12.826799 6.315240 5.386950 12.424400 -4.565450 FDP 5.271000 SCATter ( chemical "W" ) 29.081800 1.720290 15.430000 9.225900 14.432700 0.321703 5.119820 57.056000 3.839500 FDP 5.577000 SCATter ( chemical "W+6" or chemical "W+6" ) 29.493599 1.427550 19.376301 0.104621 13.054399 5.936670 5.064120 11.197200 -5.037260 FDP 5.577000 SCATter ( chemical "Re" or chemical "RE" ) 28.762100 1.671910 15.718900 9.092270 14.556400 0.350500 5.441740 52.086098 4.682000 FDP 5.891000 SCATter ( chemical "Os" or chemical "OS" ) 28.189400 1.629030 16.154999 8.979480 14.930500 0.382661 5.675890 48.164700 5.419500 FDP 6.221000 SCATter ( chemical "Os+4" or chemical "OS+4" ) 30.418999 1.371130 15.263700 6.847060 14.745800 0.165191 5.067950 18.003000 0.917040 FDP 6.221000 SCATter ( chemical "Ir" or chemical "IR" ) 27.304899 1.592790 16.729599 8.865530 15.611500 0.417916 5.833770 45.001099 6.081200 FDP 6.566000 SCATter ( chemical "Ir+3" or chemical "IR+3" ) 30.415600 1.343230 15.862000 7.109090 13.614500 0.204633 5.820080 20.325399 2.888030 FDP 6.566000 SCATter ( chemical "Ir+4" or chemical "IR+4" ) 30.705799 1.309230 15.551200 6.719830 14.232600 0.167252 5.536720 17.491100 1.577240 FDP 6.566000 SCATter ( chemical "Pt" or chemical "PT" ) 27.005899 1.512930 17.763901 8.811740 15.713100 0.424593 5.783700 38.610298 6.455300 FDP 6.925000 SCATter ( chemical "Pt+2" or chemical "PT+2" ) 29.842899 1.329270 16.722401 7.389790 13.215300 0.263297 6.352340 22.942600 4.620290 FDP 6.925000 SCATter ( chemical "Pt+4" or chemical "PT+4" ) 30.961201 1.248130 15.982900 6.608340 13.734800 0.168640 5.920340 16.939199 2.162340 FDP 6.925000 SCATter ( chemical "Au" or chemical "AU" ) 16.881901 0.461100 18.591299 8.621600 25.558201 1.482600 5.860000 36.395599 6.969800 FDP 7.297000 SCATter ( chemical "Au+1" or chemical "AU+1" ) 28.010899 1.353210 17.820400 7.739500 14.335899 0.356752 6.580770 26.404301 6.133900 FDP 7.297000 SCATter ( chemical "Au+3" or chemical "AU+3" ) 30.688599 1.219900 16.902901 6.828720 12.780100 0.212867 6.523540 18.659000 4.000800 FDP 7.297000 SCATter ( chemical "Hg" or chemical "HG" ) 20.680901 0.545000 19.041700 8.448400 21.657499 1.572900 5.967600 38.324600 7.618900 FDP 7.686000 SCATter ( chemical "Hg+1" or chemical "HG+1" ) 25.085300 1.395070 18.497299 7.651050 16.888300 0.443378 6.482160 28.226200 7.030500 FDP 7.686000 SCATter ( chemical "Hg+2" or chemical "HG+2" ) 29.564100 1.211520 18.059999 7.056390 12.837400 0.284738 6.899120 20.748199 5.636800 FDP 7.686000 SCATter ( chemical "Tl" or chemical "TL" ) 27.544600 0.655150 19.158400 8.707510 15.538000 1.963470 5.525930 45.814899 8.291600 FDP 8.089000 SCATter ( chemical "Tl+1" or chemical "TL+1" ) 21.398500 1.471100 20.472300 0.517394 18.747799 7.434630 6.828470 28.848200 7.642800 FDP 8.089000 SCATter ( chemical "Tl+3" or chemical "TL+3" ) 30.869499 1.100800 18.384100 6.538520 11.932800 0.219074 7.005740 17.211399 4.919700 FDP 8.089000 SCATter ( chemical "Pb" or chemical "PB" ) 31.061699 0.690200 13.063700 2.357600 18.441999 8.618000 5.969600 47.257900 8.593800 FDP 8.505000 SCATter ( chemical "Pb+2" or chemical "PB+2" ) 21.788601 1.336600 19.568199 0.488383 19.140600 6.772700 7.011070 23.813200 7.655400 FDP 8.505000 SCATter ( chemical "Pb+4" or chemical "PB+4" ) 32.124397 1.005660 18.800301 6.109260 12.017500 0.147041 6.968860 14.714000 3.266280 FDP 8.505000 SCATter ( chemical "Bi" or chemical "BI" ) 33.368900 0.704000 12.951000 2.923800 16.587700 8.793700 6.469200 48.009300 8.802199 FDP 8.930000 SCATter ( chemical "Bi+3" or chemical "BI+3" ) 21.805300 1.235600 19.502600 6.241490 19.105301 0.469999 7.102950 20.318501 7.695100 FDP 8.930000 SCATter ( chemical "Bi+5" or chemical "BI+5" ) 33.536400 0.916540 25.094601 0.390420 19.249699 5.714140 6.915550 12.828500 -11.575400 FDP 8.930000 SCATter ( chemical "Po" or chemical "PO" ) 34.672600 0.700999 15.473300 3.550780 13.113800 9.556419 7.025880 47.004501 8.921000 FDP 9.382999 SCATter ( chemical "At" or chemical "AT" ) 35.316299 0.685870 19.021099 3.974580 9.498870 11.382400 7.425180 45.471500 8.938800 FDP 9.843000 SCATter ( chemical "Rn" or chemical "RN" ) 35.563099 0.663100 21.281601 4.069100 8.003700 14.042200 7.443300 44.247299 8.903500 FDP 10.316999 SCATter ( chemical "Fr" or chemical "FR" ) 35.929901 0.646453 23.054699 4.176190 12.143900 23.105200 2.112530 150.644989 8.891700 FDP 10.802999 SCATter ( chemical "Ra" or chemical "RA" ) 35.763000 0.616341 22.906399 3.871350 12.473900 19.988701 3.210970 142.324997 8.723099 FDP 11.296000 SCATter ( chemical "Ra+2" or chemical "RA+2" ) 35.215000 0.604909 21.670000 3.576700 7.913420 12.601000 7.650780 29.843599 8.645100 FDP 11.296000 SCATter ( chemical "Ac" or chemical "AC" ) 35.659698 0.589092 23.103199 3.651550 12.597700 18.598999 4.086550 117.019997 8.532600 FDP 11.799000 SCATter ( chemical "Ac+3" or chemical "AC+3" ) 35.173599 0.579689 22.111200 3.414370 8.192160 12.918700 7.055450 25.944300 8.469699 FDP 11.799000 SCATter ( chemical "Th" or chemical "TH" ) 35.564499 0.563359 23.421900 3.462040 12.747300 17.830900 4.807030 99.172195 8.340400 FDP 12.330000 SCATter ( chemical "Th+4" or chemical "TH+4" ) 35.100700 0.555054 22.441799 3.244980 9.785540 13.466100 5.294440 23.953300 8.284999 FDP 12.330000 SCATter ( chemical "Pa" or chemical "PA" ) 35.884701 0.547751 23.294800 3.415190 14.189100 16.923500 4.172870 105.250999 8.212699 FDP 12.868000 SCATter ( chemical "U" ) 36.022800 0.529300 23.412800 3.325300 14.949100 16.092699 4.188000 100.612999 8.037600 FDP 13.409000 SCATter ( chemical "U+3" or chemical "U+3" ) 35.574699 0.520480 22.525900 3.122930 12.216499 12.714800 5.370730 26.339399 7.950200 FDP 13.409000 SCATter ( chemical "U+4" or chemical "U+4" ) 35.371498 0.516598 22.532600 3.050530 12.029100 12.572300 4.798400 23.458200 7.908099 FDP 13.409000 SCATter ( chemical "U+6" or chemical "U+6" ) 34.850899 0.507079 22.758400 2.890300 14.009900 13.176700 1.214570 25.201700 7.807500 FDP 13.409000 SCATter ( chemical "Np" or chemical "NP" ) 36.187401 0.511929 23.596399 3.253960 15.640200 15.362200 4.185500 97.490799 7.828300 FDP 13.967000 SCATter ( chemical "Np+3" or chemical "NP+3" ) 35.707397 0.502322 22.612999 3.038070 12.989799 12.144899 5.432270 25.492800 7.725400 FDP 13.967000 SCATter ( chemical "Np+4" or chemical "NP+4" ) 35.510300 0.498626 22.578699 2.966270 12.776600 11.948400 4.921590 22.750200 7.682599 FDP 13.967000 SCATter ( chemical "Np+6" or chemical "NP+6" ) 35.013599 0.489810 22.728600 2.810990 14.388400 12.330000 1.756690 22.658100 7.584000 FDP 13.967000 SCATter ( chemical "Pu" or chemical "PU" ) 36.525398 0.499384 23.808300 3.263710 16.770700 14.945499 3.479470 105.979996 7.669200 FDP 14.535999 SCATter ( chemical "Pu+3" or chemical "PU+3" ) 35.840000 0.484936 22.716900 2.961180 13.580700 11.533100 5.660160 24.399200 7.487100 FDP 14.535999 SCATter ( chemical "Pu+4" or chemical "PU+4" ) 35.649300 0.481422 22.646000 2.890200 13.359500 11.316000 5.188310 21.830099 7.443500 FDP 14.535999 SCATter ( chemical "Pu+6" or chemical "PU+6" ) 35.173599 0.473204 22.718100 2.738480 14.763500 11.552999 2.286780 20.930300 7.346200 FDP 14.535999 SCATter ( chemical "Am" or chemical "AM" ) 36.670601 0.483629 24.099199 3.206470 17.341499 14.313600 3.493310 102.272995 7.429200 FDP 15.087000 SCATter ( chemical "Cm" or chemical "CM" ) 36.648800 0.465154 24.409599 3.089970 17.399000 13.434600 4.216650 88.483398 7.112700 FDP 15.634000 SCATter ( chemical "Bk" or chemical "BK" ) 36.788101 0.451018 24.773600 3.046190 17.891899 12.894600 4.232840 86.002998 6.777400 FDP 16.316999 SCATter ( chemical "Cff" or chemical "CFF" ) 36.918499 0.437533 25.199499 3.007750 18.331699 12.404400 4.243910 83.788101 6.469400 FDP 16.930000 set echo=true end set message=true end