remarks file: xtallib/anom_mo.lib remarks Atomic scattering factors with MoKa 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 0.037700 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 0.016700 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 0.038500 FDP 0.000000 SCATter ( chemical "Be+2" or chemical "BE+2" ) 6.260300 0.002700 0.884900 0.831300 0.799300 2.275800 0.164700 5.114600 -6.109200 FDP 0.000000 SCATter ( chemical "B" ) 2.054500 23.218500 1.332600 1.021000 1.097900 60.349800 0.706800 0.140300 -0.193200 FDP 0.001000 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 0.217600 FDP 0.002000 SCATter ( chemical "Cv" or chemical "CV" ) 2.260690 22.690701 1.561650 0.656665 1.050750 9.756180 0.839259 55.594898 0.288977 FDP 0.002000 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 -11.524999 FDP 0.003000 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 0.258800 FDP 0.006000 SCATter ( chemical "O-1" or chemical "O-1" ) 4.191600 12.857300 1.639690 4.172360 1.526730 47.017899 -20.306999 -0.014040 21.949200 FDP 0.006000 SCATter ( chemical "F" ) 3.539200 10.282499 2.641200 4.294400 1.517000 0.261500 1.024300 26.147600 0.291600 FDP 0.010000 SCATter ( chemical "F-1" or chemical "F-1" ) 3.632200 5.277560 3.510570 14.735300 1.260640 0.442258 0.940706 47.343700 0.667396 FDP 0.010000 SCATter ( chemical "Ne" or chemical "NE" ) 3.955300 8.404200 3.112500 3.426200 1.454600 0.230600 1.125100 21.718399 0.372500 FDP 0.016000 SCATter ( chemical "Na" or chemical "NA" ) 4.762600 3.285000 3.173600 8.842199 1.267400 0.313600 1.112800 129.423996 0.706000 FDP 0.025000 SCATter ( chemical "Na+1" or chemical "NA+1" ) 3.256500 2.667100 3.936200 6.115300 1.399800 0.200100 1.003200 14.039000 0.434000 FDP 0.025000 SCATter ( chemical "Mg" or chemical "MG" ) 5.420400 2.827500 2.173500 79.261101 1.226900 0.380800 2.307300 7.193700 0.900400 FDP 0.036000 SCATter ( chemical "Mg+2" or chemical "MG+2" ) 3.498800 2.167600 3.837800 4.754200 1.328400 0.185000 0.849700 10.141100 0.527300 FDP 0.036000 SCATter ( chemical "Al" or chemical "AL" ) 6.420200 3.038700 1.900200 0.742600 1.593600 31.547199 1.964600 85.088600 1.171100 FDP 0.052000 SCATter ( chemical "Al+3" or chemical "AL+3" ) 4.174480 1.938160 3.387600 4.145530 1.202960 0.228753 0.528137 8.285240 0.762786 FDP 0.052000 SCATter ( chemical "Si" or chemical "SI" ) 6.291500 2.438600 3.035300 32.333698 1.989100 0.678500 1.541000 81.693695 1.212700 FDP 0.071000 SCATter ( chemical "Siv" or chemical "SIV" ) 5.662690 2.665200 3.071640 38.663399 2.624460 0.916946 1.393200 93.545799 1.319070 FDP 0.071000 SCATter ( chemical "Si+4" or chemical "SI+4" ) 4.439180 1.641670 3.203450 3.437570 1.194530 0.214900 0.416530 6.653650 0.818297 FDP 0.071000 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 1.204900 FDP 0.095000 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 0.976900 FDP 0.124000 SCATter ( chemical "Cl" or chemical "CL" ) 11.460400 0.010400 7.196400 1.166200 6.255600 18.519400 1.645500 47.778400 -9.425400 FDP 0.159000 SCATter ( chemical "Cl-1" or chemical "CL-1" ) 18.291500 0.006600 7.208400 1.171700 6.533700 19.542400 2.338600 60.448601 -16.246000 FDP 0.159000 SCATter ( chemical "Ar" or chemical "AR" ) 7.484500 0.907200 6.772300 14.840700 0.653900 43.898300 1.644200 33.392899 1.599500 FDP 0.201000 SCATter ( chemical "K" ) 8.218599 12.794900 7.439800 0.774800 1.051900 213.186996 0.865900 41.684097 1.601800 FDP 0.250000 SCATter ( chemical "K+1" or chemical "K+1" ) 7.957800 12.633100 7.491700 0.767400 6.359000 -0.002000 1.191500 31.912800 -4.818800 FDP 0.250000 SCATter ( chemical "Ca" or chemical "CA" ) 8.626600 10.442100 7.387300 0.659900 1.589900 85.748398 1.021100 178.436996 1.578100 FDP 0.306000 SCATter ( chemical "Ca+2" or chemical "CA+2" ) 15.634800 -0.007400 7.951800 0.608900 8.437200 10.311600 0.853700 25.990499 -14.672000 FDP 0.306000 SCATter ( chemical "Sc" or chemical "SC" ) 9.189000 9.021299 7.367900 0.572900 1.640900 136.108002 1.468000 51.353100 1.558900 FDP 0.372000 SCATter ( chemical "Sc+3" or chemical "SC+3" ) 14.400800 0.298540 8.027300 7.962900 1.659430 -0.286040 1.579360 16.066200 -6.440700 FDP 0.372000 SCATter ( chemical "Ti" or chemical "TI" ) 9.759500 7.850800 7.355800 0.500000 1.699100 35.633801 1.902100 116.104996 1.528700 FDP 0.446000 SCATter ( chemical "Ti+2" or chemical "TI+2" ) 9.114230 7.524300 7.621740 0.457585 2.279300 19.536100 0.087899 61.655800 1.145155 FDP 0.446000 SCATter ( chemical "Ti+3" or chemical "TI+3" ) 17.734400 0.220610 8.738160 7.047160 5.256910 -0.157620 1.921340 15.976800 -14.404000 FDP 0.446000 SCATter ( chemical "Ti+4" or chemical "TI+4" ) 19.511400 0.178847 8.234730 6.670180 2.013410 -0.292630 1.520800 12.946400 -13.032000 FDP 0.446000 SCATter ( chemical "V" ) 10.297100 6.865700 7.351100 0.438500 2.070300 26.893799 2.057100 102.477997 1.486900 FDP 0.530000 SCATter ( chemical "V+2" or chemical "V+2" ) 10.106000 6.881800 7.354100 0.440900 2.288400 20.300400 0.022300 115.122002 1.496800 FDP 0.530000 SCATter ( chemical "V+3" or chemical "V+3" ) 9.431410 6.395350 7.741900 0.383349 2.153430 15.190800 0.016865 63.969002 0.923565 FDP 0.530000 SCATter ( chemical "V+5" or chemical "V+5" ) 15.688700 0.679003 8.142080 5.401350 2.030810 9.972780 -9.576000 0.940464 1.981300 FDP 0.530000 SCATter ( chemical "Cr" or chemical "CR" ) 10.640600 6.103800 7.353700 0.392000 3.324000 20.262600 1.492200 98.739899 1.467200 FDP 0.624000 SCATter ( chemical "Cr+2" or chemical "CR+2" ) 9.540340 5.660780 7.750900 0.344261 3.582740 13.307500 0.509107 32.422401 0.900898 FDP 0.624000 SCATter ( chemical "Cr+3" or chemical "CR+3" ) 9.680900 5.594630 7.811360 0.334393 2.876030 12.828800 0.113575 32.876099 0.802275 FDP 0.624000 SCATter ( chemical "Mn" or chemical "MN" ) 11.281900 5.340900 7.357300 0.343200 3.019300 17.867399 2.244100 83.754303 1.384600 FDP 0.729000 SCATter ( chemical "Mn+2" or chemical "MN+2" ) 10.806100 5.279600 7.362000 0.343500 3.526800 14.343000 0.218400 41.323502 1.382400 FDP 0.729000 SCATter ( chemical "Mn+3" or chemical "MN+3" ) 9.845210 4.917970 7.871940 0.294393 3.565310 10.817100 0.323613 24.128099 0.688974 FDP 0.729000 SCATter ( chemical "Mn+4" or chemical "MN+4" ) 9.962530 4.848500 7.970570 0.283303 2.760670 10.485200 0.054447 27.573000 0.546877 FDP 0.729000 SCATter ( chemical "Fe" or chemical "FE" ) 11.769500 4.761100 7.357300 0.307200 3.522200 15.353500 2.304500 76.880501 1.337900 FDP 0.845000 SCATter ( chemical "Fe+2" or chemical "FE+2" ) 11.042400 4.653800 7.374000 0.305300 4.134600 12.054600 0.439900 31.280899 1.310700 FDP 0.845000 SCATter ( chemical "Fe+3" or chemical "FE+3" ) 11.176400 4.614700 7.386300 0.300500 3.394800 11.672900 0.072400 38.556599 1.271700 FDP 0.845000 SCATter ( chemical "Co" or chemical "CO" ) 12.284100 4.279100 7.340900 0.278400 4.003400 13.535900 2.348800 71.169197 1.310800 FDP 0.973000 SCATter ( chemical "Co+2" or chemical "CO+2" ) 11.229600 4.123100 7.388300 0.272600 4.739300 10.244300 0.710800 25.646599 1.231400 FDP 0.973000 SCATter ( chemical "Co+3" or chemical "CO+3" ) 10.337999 3.909690 7.881730 0.238668 4.767950 8.355830 0.725591 18.349100 0.585667 FDP 0.973000 SCATter ( chemical "Ni" or chemical "NI" ) 12.837600 3.878500 7.292000 0.256500 4.443800 12.176300 2.380000 66.342102 1.319100 FDP 1.113000 SCATter ( chemical "Ni+2" or chemical "NI+2" ) 11.416600 3.676600 7.400500 0.244900 5.344200 8.873000 0.977300 22.162600 1.146400 FDP 1.113000 SCATter ( chemical "Ni+3" or chemical "NI+3" ) 10.780600 3.547700 7.758680 0.223140 5.227460 7.644680 0.847114 16.967300 0.671044 FDP 1.113000 SCATter ( chemical "Cu" or chemical "CU" ) 13.337999 3.582800 7.167600 0.247000 5.615800 11.396600 1.673500 64.812599 1.454000 FDP 1.266000 SCATter ( chemical "Cu+1" or chemical "CU+1" ) 11.947500 3.366900 7.357300 0.227400 6.245500 8.662500 1.557800 25.848700 1.153000 FDP 1.266000 SCATter ( chemical "Cu+2" or chemical "CU+2" ) 11.816800 3.374840 7.111810 0.244078 5.781350 7.987600 1.145230 19.896999 1.407310 FDP 1.266000 SCATter ( chemical "Zn" or chemical "ZN" ) 14.074300 3.265500 7.031800 0.233300 5.162500 10.316299 2.410000 58.709702 1.526100 FDP 1.431000 SCATter ( chemical "Zn+2" or chemical "ZN+2" ) 11.971900 2.994600 7.386200 0.203100 6.466800 7.082600 1.394000 18.099499 1.002700 FDP 1.431000 SCATter ( chemical "Ga" or chemical "GA" ) 15.235400 3.066900 6.700600 0.241200 4.359100 10.780500 2.962300 61.413498 1.881900 FDP 1.609000 SCATter ( chemical "Ga+3" or chemical "GA+3" ) 12.691999 2.812620 6.698830 0.227890 6.066920 6.364410 1.006600 14.412200 1.698450 FDP 1.609000 SCATter ( chemical "Ge" or chemical "GE" ) 16.081600 2.850900 6.374700 0.251600 3.706800 11.446800 3.683000 54.762501 2.212300 FDP 1.801000 SCATter ( chemical "Ge+4" or chemical "GE+4" ) 12.917200 2.537180 6.700030 0.205855 6.067910 5.479130 0.859041 11.603000 1.536720 FDP 1.801000 SCATter ( chemical "As" or chemical "AS" ) 16.672300 2.634500 6.070100 0.264700 3.431300 12.947900 4.277900 47.797199 2.501000 FDP 2.007000 SCATter ( chemical "Se" or chemical "SE" ) 17.000599 2.409800 5.819600 0.272600 3.973100 15.237200 4.354300 43.816299 2.662900 FDP 2.223000 SCATter ( chemical "Br" or chemical "BR" ) 17.178900 2.172300 5.235800 16.579599 5.637700 0.260900 3.985100 41.432800 2.581700 FDP 2.456000 SCATter ( chemical "Br-1" or chemical "BR-1" ) 17.171799 2.205900 6.333800 19.334499 5.575400 0.287100 3.727200 58.153500 2.803600 FDP 2.456000 SCATter ( chemical "Kr" or chemical "KR" ) 17.355499 1.938400 6.728600 16.562300 5.549300 0.226100 3.537500 39.397202 2.173000 FDP 2.713000 SCATter ( chemical "Rb" or chemical "RB" ) 17.178400 1.788800 9.643499 17.315100 5.139900 0.274800 1.529200 164.933990 2.443300 FDP 2.973000 SCATter ( chemical "Rb+1" or chemical "RB+1" ) 17.581600 1.713900 7.659800 14.795700 5.898100 0.160300 2.781700 31.208700 1.034200 FDP 2.973000 SCATter ( chemical "Sr" or chemical "SR" ) 17.566299 1.556400 9.818399 14.098800 5.422000 0.166400 2.669400 132.376007 0.849400 FDP 3.264000 SCATter ( chemical "Sr+2" or chemical "SR+2" ) 18.087400 1.490700 8.137300 12.696300 2.565400 24.565100 -34.193001 -0.013800 39.745500 FDP 3.264000 SCATter ( chemical "Y" ) 17.775999 1.402900 10.294600 12.800600 5.726290 0.125599 3.265880 104.353996 -1.038870 FDP 3.542000 SCATter ( chemical "Y+3" or chemical "Y+3" ) 17.926800 1.354170 9.153100 11.214500 1.767950 22.659901 -33.108002 -0.013190 37.309201 FDP 3.542000 SCATter ( chemical "Zr" or chemical "ZR" ) 17.876499 1.276180 10.948000 11.916000 5.417320 0.117622 3.657210 87.662697 -0.895710 FDP 0.560000 SCATter ( chemical "Zr+4" or chemical "ZR+4" ) 18.166800 1.214800 10.056200 10.148300 1.011180 21.605400 -2.647900 -0.102760 6.449539 FDP 0.560000 SCATter ( chemical "Nb" or chemical "NB" ) 17.614201 1.188650 12.014400 11.766000 4.041830 0.204785 3.533460 69.795700 1.558910 FDP 0.621000 SCATter ( chemical "Nb+3" or chemical "NB+3" ) 19.881199 0.019175 18.065300 1.133050 11.017700 10.162100 1.947150 28.338900 -15.109000 FDP 0.621000 SCATter ( chemical "Nb+5" or chemical "NB+5" ) 17.916300 1.124460 13.341700 0.028781 10.799000 9.282060 0.337905 25.722799 -8.590400 FDP 0.621000 SCATter ( chemical "Mo" or chemical "MO" ) 3.702500 0.277200 17.235600 1.095800 12.887600 11.004000 3.742900 61.658401 2.562500 FDP 0.688000 SCATter ( chemical "Mo+3" or chemical "MO+3" ) 21.166401 0.014734 18.201700 1.030310 11.742300 9.536590 2.309510 26.630699 -16.246000 FDP 0.688000 SCATter ( chemical "Mo+5" or chemical "MO+5" ) 21.014900 0.014345 18.099199 1.022380 11.463200 8.788090 0.740625 23.345200 -16.141000 FDP 0.688000 SCATter ( chemical "Mo+6" or chemical "MO+6" ) 17.887100 1.036490 11.175000 8.480610 6.578910 0.058881 0.000000 0.000000 -1.480059 FDP 0.688000 SCATter ( chemical "Tc" or chemical "TC" ) 19.130100 0.864132 11.094800 8.144870 4.649010 21.570700 2.712630 86.847198 4.814280 FDP 0.759000 SCATter ( chemical "Ru" or chemical "RU" ) 19.267399 0.808520 12.918200 8.434669 4.863370 24.799700 1.567560 94.292801 3.958740 FDP 0.836000 SCATter ( chemical "Ru+3" or chemical "RU+3" ) 18.563801 0.847329 13.288500 8.371640 9.326019 0.017662 3.009640 22.886999 -4.609200 FDP 0.836000 SCATter ( chemical "Ru+4" or chemical "RU+4" ) 18.500299 0.844582 13.178699 8.125340 4.713040 0.364950 2.185350 20.850399 0.003570 FDP 0.836000 SCATter ( chemical "Rh" or chemical "RH" ) 19.295700 0.751536 14.350100 8.217580 4.734250 25.874901 1.289180 98.606201 4.041000 FDP 0.919000 SCATter ( chemical "Rh+3" or chemical "RH+3" ) 18.878500 0.764252 14.125900 7.844380 3.325150 21.248699 -6.198900 -0.010360 10.580800 FDP 0.919000 SCATter ( chemical "Rh+4" or chemical "RH+4" ) 18.854500 0.760825 13.980600 7.624360 2.534640 19.331699 -5.652600 -0.010200 9.996500 FDP 0.919000 SCATter ( chemical "Pd" or chemical "PD" ) 19.331900 0.698655 15.501699 7.989290 5.295370 25.205200 0.605844 76.898598 4.088930 FDP 1.007000 SCATter ( chemical "Pd+2" or chemical "PD+2" ) 19.170099 0.696219 15.209600 7.555730 4.322340 22.505699 0.000000 0.000000 4.114600 FDP 1.007000 SCATter ( chemical "Pd+4" or chemical "PD+4" ) 19.249300 0.683839 14.790000 7.148330 2.892890 17.914400 -7.949200 0.005127 11.840400 FDP 1.007000 SCATter ( chemical "Ag" or chemical "AG" ) 19.280800 0.644600 16.688499 7.472600 4.804500 24.660500 1.046300 99.815598 4.094000 FDP 1.101000 SCATter ( chemical "Ag+1" or chemical "AG+1" ) 19.181200 0.646179 15.971900 7.191230 5.274750 21.732599 0.357534 66.114700 4.130720 FDP 1.101000 SCATter ( chemical "Ag+2" or chemical "AG+2" ) 19.164299 0.645643 16.245600 7.185440 4.370900 21.407200 0.000000 0.000000 4.129040 FDP 1.101000 SCATter ( chemical "Cd" or chemical "CD" ) 19.221399 0.594600 17.644400 6.908900 4.461000 24.700800 1.602900 87.482498 4.064400 FDP 1.202000 SCATter ( chemical "Cd+2" or chemical "CD+2" ) 19.151400 0.597922 17.253500 6.806390 4.471280 20.252100 0.000000 0.000000 4.114370 FDP 1.202000 SCATter ( chemical "In" or chemical "IN" ) 19.162399 0.547600 18.559601 6.377600 4.294800 25.849899 2.039600 92.802902 4.003100 FDP 1.310000 SCATter ( chemical "In+3" or chemical "IN+3" ) 19.104500 0.551522 18.110800 6.324700 3.788970 17.359501 0.000000 0.000000 4.060350 FDP 1.310000 SCATter ( chemical "Sn" or chemical "SN" ) 19.188900 5.830300 19.100500 0.503100 4.458500 26.890900 2.466300 83.957100 3.909100 FDP 1.424000 SCATter ( chemical "Sn+2" or chemical "SN+2" ) 19.109400 0.503600 19.054800 5.837800 4.564800 23.375200 0.487000 62.206100 3.913100 FDP 1.424000 SCATter ( chemical "Sn+4" or chemical "SN+4" ) 18.933300 5.764000 19.713100 0.465500 3.418200 14.004900 0.019300 -0.758300 3.045200 FDP 1.424000 SCATter ( chemical "Sb" or chemical "SB" ) 19.641800 5.303400 19.045500 0.460700 5.037100 27.907400 2.682700 75.282501 3.774900 FDP 1.546000 SCATter ( chemical "Sb+3" or chemical "SB+3" ) 18.975500 0.467196 18.932999 5.221260 5.107890 19.590200 0.288753 55.511299 3.880260 FDP 1.546000 SCATter ( chemical "Sb+5" or chemical "SB+5" ) 19.868500 5.448530 19.030199 0.467973 2.412530 14.125900 0.000000 0.000000 3.876630 FDP 1.546000 SCATter ( chemical "Te" or chemical "TE" ) 19.964399 4.817420 19.013800 0.420885 6.144870 28.528400 2.523900 70.840302 3.580000 FDP 1.675000 SCATter ( chemical "I" ) 20.147200 4.347000 18.994900 0.381400 7.513800 27.765999 2.273500 66.877602 3.345200 FDP 1.812000 SCATter ( chemical "I-1" or chemical "I-1" ) 20.233200 4.357900 18.997000 0.381500 7.806900 29.525900 2.886800 84.930397 3.345400 FDP 1.812000 SCATter ( chemical "Xe" or chemical "XE" ) 20.293301 3.928200 19.029800 0.344000 8.976700 26.465900 1.990000 64.265800 3.027800 FDP 1.958000 SCATter ( chemical "Cs" or chemical "CS" ) 20.389200 3.569000 19.106199 0.310700 10.662000 24.387899 1.495300 213.903992 2.691200 FDP 2.119000 SCATter ( chemical "Cs+1" or chemical "CS+1" ) 20.352400 3.552000 19.127800 0.308600 10.282100 23.712799 0.961500 59.456497 2.635100 FDP 2.119000 SCATter ( chemical "Ba" or chemical "BA" ) 20.336100 3.216000 19.297001 0.275600 10.888000 20.207300 2.695900 167.201996 2.160100 FDP 2.282000 SCATter ( chemical "Ba+2" or chemical "BA+2" ) 20.180700 3.213670 19.113600 0.283310 10.905399 20.055799 0.776340 51.745998 2.416020 FDP 2.282000 SCATter ( chemical "La" or chemical "LA" ) 20.577999 2.948170 19.598999 0.244475 11.372700 18.772600 3.287190 133.123993 1.558780 FDP 2.452000 SCATter ( chemical "La+3" or chemical "LA+3" ) 20.248899 2.920700 19.376301 0.250698 11.632299 17.821100 0.336048 54.945297 1.820600 FDP 2.452000 SCATter ( chemical "Ce" or chemical "CE" ) 21.167099 2.812190 19.769501 0.226836 11.851299 17.608299 3.330490 127.112999 1.298640 FDP 2.632000 SCATter ( chemical "Ce+3" or chemical "CE+3" ) 20.803600 2.776910 19.559000 0.231540 11.936900 16.540800 0.612376 43.169201 1.526130 FDP 2.632000 SCATter ( chemical "Ce+4" or chemical "CE+4" ) 20.323500 2.659410 19.818600 0.218850 12.123300 15.799200 0.144583 62.235500 1.027800 FDP 2.632000 SCATter ( chemical "Pr" or chemical "PR" ) 22.043999 2.773930 19.669701 0.222087 12.385600 16.766899 2.824280 143.643997 1.528300 FDP 2.845000 SCATter ( chemical "Pr+3" or chemical "PR+3" ) 21.372700 2.645200 19.749100 0.214299 12.132900 15.323000 0.975180 36.406502 1.241320 FDP 2.845000 SCATter ( chemical "Pr+4" or chemical "PR+4" ) 20.941299 2.544670 20.053900 0.202481 12.466800 14.813700 0.296689 45.464298 0.712850 FDP 2.845000 SCATter ( chemical "Nd" or chemical "ND" ) 22.684500 2.662480 19.684700 0.210628 12.774000 15.885000 2.851370 137.903000 1.449860 FDP 3.018000 SCATter ( chemical "Nd+3" or chemical "ND+3" ) 21.961000 2.527220 19.933899 0.199237 12.120000 14.178300 1.510310 30.871700 0.940880 FDP 3.018000 SCATter ( chemical "Pm" or chemical "PM" ) 23.340500 2.562700 19.609501 0.202088 13.123500 15.100900 2.875160 132.720993 1.498760 FDP 3.225000 SCATter ( chemical "Pm+3" or chemical "PM+3" ) 22.552700 2.417400 20.110800 0.185769 12.067100 13.127500 2.074920 27.449100 0.664990 FDP 3.225000 SCATter ( chemical "Smm" or chemical "SMM" ) 24.004200 2.472740 19.425800 0.196451 13.439600 14.399600 2.896040 128.007004 1.676630 FDP 3.442000 SCATter ( chemical "Sm+3" or chemical "SM+3" ) 23.150400 2.316410 20.259899 0.174081 11.920200 12.157100 2.714880 24.824200 0.421586 FDP 3.442000 SCATter ( chemical "Eu" or chemical "EU" ) 24.627399 2.387900 19.088600 0.194200 13.760300 13.754600 2.922700 123.173996 2.032500 FDP 3.669000 SCATter ( chemical "Eu+2" or chemical "EU+2" ) 24.006300 2.277830 19.950399 0.173530 11.803400 11.609600 3.872430 26.515600 0.821890 FDP 3.669000 SCATter ( chemical "Eu+3" or chemical "EU+3" ) 23.749699 2.222580 20.374500 0.163940 11.850900 11.311000 3.265030 22.996599 0.217344 FDP 3.669000 SCATter ( chemical "Gd" or chemical "GD" ) 25.070900 2.253410 19.079800 0.181951 13.851800 12.933100 3.545450 101.397995 1.855600 FDP 3.904000 SCATter ( chemical "Gd+3" or chemical "GD+3" ) 24.346600 2.135530 20.420799 0.155525 11.870800 10.578199 3.714900 21.702900 0.081089 FDP 3.904000 SCATter ( chemical "Tb" or chemical "TB" ) 25.897600 2.242560 18.218500 0.196143 14.316700 12.664800 2.953540 115.362000 2.991240 FDP 4.151000 SCATter ( chemical "Tb+3" or chemical "TB+3" ) 24.955900 2.056010 20.327099 0.149525 12.247100 10.049900 3.773000 21.277300 0.100967 FDP 4.151000 SCATter ( chemical "Dy" or chemical "DY" ) 26.507000 2.180200 17.638300 0.202172 14.559600 12.189899 2.965770 111.874001 3.678280 FDP 4.410000 SCATter ( chemical "Dy+3" or chemical "DY+3" ) 25.539499 1.980400 20.286100 0.143384 11.981200 9.349720 4.500730 19.580999 0.070690 FDP 4.410000 SCATter ( chemical "Ho" or chemical "HO" ) 26.904900 2.070510 17.293999 0.197940 14.558300 11.440700 3.638370 92.656601 3.901960 FDP 4.678000 SCATter ( chemical "Ho+3" or chemical "HO+3" ) 26.129601 1.910720 20.099400 0.139358 11.978800 8.800180 4.936760 18.590799 0.186795 FDP 4.678000 SCATter ( chemical "Er" or chemical "ER" ) 27.656300 2.073560 16.428499 0.223545 14.977900 11.360400 2.982330 105.703003 5.197460 FDP 4.958000 SCATter ( chemical "Er+3" or chemical "ER+3" ) 26.722000 1.846590 19.774799 0.137290 12.150600 8.362249 5.173790 17.897400 0.453130 FDP 4.958000 SCATter ( chemical "Tm" or chemical "TM" ) 28.181900 2.028590 15.885099 0.238849 15.154200 10.997499 2.987060 102.960999 5.961210 FDP 5.248000 SCATter ( chemical "Tm+3" or chemical "TM+3" ) 27.308300 1.787110 19.332001 0.136974 12.333900 7.967780 5.383480 17.292200 0.844290 FDP 5.248000 SCATter ( chemical "Yb" or chemical "YB" ) 28.664101 1.988900 15.434500 0.257119 15.308700 10.664700 2.989630 100.417000 6.682720 FDP 5.548000 SCATter ( chemical "Yb+2" or chemical "YB+2" ) 28.120899 1.785030 17.681700 0.159970 13.333500 8.183040 5.146570 20.389999 2.825830 FDP 5.548000 SCATter ( chemical "Yb+3" or chemical "YB+3" ) 27.891701 1.732720 18.761400 0.138790 12.607200 7.644120 5.476470 16.814301 1.376010 FDP 5.548000 SCATter ( chemical "Lu" or chemical "LU" ) 28.947599 1.901820 15.220800 9.985189 15.100000 0.261033 3.716010 84.329803 6.988280 FDP 5.858000 SCATter ( chemical "Lu+3" or chemical "LU+3" ) 28.462799 1.682160 18.121000 0.142292 12.842899 7.337270 5.594150 16.353500 1.987730 FDP 5.858000 SCATter ( chemical "Hf" or chemical "HF" ) 29.143999 1.832620 15.172600 9.599899 14.758600 0.275116 4.300130 72.028999 7.463540 FDP 6.185000 SCATter ( chemical "Hf+4" or chemical "HF+4" ) 28.813099 1.591360 18.460100 0.128903 12.728500 6.762320 5.599270 14.036600 1.278990 FDP 6.185000 SCATter ( chemical "Ta" or chemical "TA" ) 29.202400 1.773330 15.229300 9.370460 14.513500 0.295977 4.764920 63.364399 7.985540 FDP 6.523000 SCATter ( chemical "Ta+5" or chemical "TA+5" ) 29.158699 1.507110 18.840700 0.116741 12.826799 6.315240 5.386950 12.424400 0.527550 FDP 6.523000 SCATter ( chemical "W" ) 29.081800 1.720290 15.430000 9.225900 14.432700 0.321703 5.119820 57.056000 8.466500 FDP 6.872000 SCATter ( chemical "W+6" or chemical "W+6" ) 29.493599 1.427550 19.376301 0.104621 13.054399 5.936670 5.064120 11.197200 -0.410260 FDP 6.872000 SCATter ( chemical "Re" or chemical "RE" ) 28.762100 1.671910 15.718900 9.092270 14.556400 0.350500 5.441740 52.086098 8.874000 FDP 7.232000 SCATter ( chemical "Os" or chemical "OS" ) 28.189400 1.629030 16.154999 8.979480 14.930500 0.382661 5.675890 48.164700 9.184500 FDP 7.605000 SCATter ( chemical "Os+4" or chemical "OS+4" ) 30.418999 1.371130 15.263700 6.847060 14.745800 0.165191 5.067950 18.003000 4.682040 FDP 7.605000 SCATter ( chemical "Ir" or chemical "IR" ) 27.304899 1.592790 16.729599 8.865530 15.611500 0.417916 5.833770 45.001099 9.406200 FDP 7.990000 SCATter ( chemical "Ir+3" or chemical "IR+3" ) 30.415600 1.343230 15.862000 7.109090 13.614500 0.204633 5.820080 20.325399 6.213030 FDP 7.990000 SCATter ( chemical "Ir+4" or chemical "IR+4" ) 30.705799 1.309230 15.551200 6.719830 14.232600 0.167252 5.536720 17.491100 4.902240 FDP 7.990000 SCATter ( chemical "Pt" or chemical "PT" ) 27.005899 1.512930 17.763901 8.811740 15.713100 0.424593 5.783700 38.610298 9.336300 FDP 8.388000 SCATter ( chemical "Pt+2" or chemical "PT+2" ) 29.842899 1.329270 16.722401 7.389790 13.215300 0.263297 6.352340 22.942600 7.501290 FDP 8.388000 SCATter ( chemical "Pt+4" or chemical "PT+4" ) 30.961201 1.248130 15.982900 6.608340 13.734800 0.168640 5.920340 16.939199 5.043340 FDP 8.388000 SCATter ( chemical "Au" or chemical "AU" ) 16.881901 0.461100 18.591299 8.621600 25.558201 1.482600 5.860000 36.395599 9.377800 FDP 8.798000 SCATter ( chemical "Au+1" or chemical "AU+1" ) 28.010899 1.353210 17.820400 7.739500 14.335899 0.356752 6.580770 26.404301 8.541900 FDP 8.798000 SCATter ( chemical "Au+3" or chemical "AU+3" ) 30.688599 1.219900 16.902901 6.828720 12.780100 0.212867 6.523540 18.659000 6.408800 FDP 8.798000 SCATter ( chemical "Hg" or chemical "HG" ) 20.680901 0.545000 19.041700 8.448400 21.657499 1.572900 5.967600 38.324600 9.524900 FDP 9.223000 SCATter ( chemical "Hg+1" or chemical "HG+1" ) 25.085300 1.395070 18.497299 7.651050 16.888300 0.443378 6.482160 28.226200 8.936500 FDP 9.223000 SCATter ( chemical "Hg+2" or chemical "HG+2" ) 29.564100 1.211520 18.059999 7.056390 12.837400 0.284738 6.899120 20.748199 7.542800 FDP 9.223000 SCATter ( chemical "Tl" or chemical "TL" ) 27.544600 0.655150 19.158400 8.707510 15.538000 1.963470 5.525930 45.814899 9.618600 FDP 9.659000 SCATter ( chemical "Tl+1" or chemical "TL+1" ) 21.398500 1.471100 20.472300 0.517394 18.747799 7.434630 6.828470 28.848200 8.969800 FDP 9.659000 SCATter ( chemical "Tl+3" or chemical "TL+3" ) 30.869499 1.100800 18.384100 6.538520 11.932800 0.219074 7.005740 17.211399 6.246700 FDP 9.659000 SCATter ( chemical "Pb" or chemical "PB" ) 31.061699 0.690200 13.063700 2.357600 18.441999 8.618000 5.969600 47.257900 9.278800 FDP 10.102000 SCATter ( chemical "Pb+2" or chemical "PB+2" ) 21.788601 1.336600 19.568199 0.488383 19.140600 6.772700 7.011070 23.813200 8.340400 FDP 10.102000 SCATter ( chemical "Pb+4" or chemical "PB+4" ) 32.124397 1.005660 18.800301 6.109260 12.017500 0.147041 6.968860 14.714000 3.951280 FDP 10.102000 SCATter ( chemical "Bi" or chemical "BI" ) 33.368900 0.704000 12.951000 2.923800 16.587700 8.793700 6.469200 48.009300 8.717199 FDP 10.559000 SCATter ( chemical "Bi+3" or chemical "BI+3" ) 21.805300 1.235600 19.502600 6.241490 19.105301 0.469999 7.102950 20.318501 7.610100 FDP 10.559000 SCATter ( chemical "Bi+5" or chemical "BI+5" ) 33.536400 0.916540 25.094601 0.390420 19.249699 5.714140 6.915550 12.828500 -11.660400 FDP 10.559000 SCATter ( chemical "Po" or chemical "PO" ) 34.672600 0.700999 15.473300 3.550780 13.113800 9.556419 7.025880 47.004501 7.753000 FDP 11.042000 SCATter ( chemical "At" or chemical "AT" ) 35.316299 0.685870 19.021099 3.974580 9.498870 11.382400 7.425180 45.471500 6.266800 FDP 9.961000 SCATter ( chemical "Rn" or chemical "RN" ) 35.563099 0.663100 21.281601 4.069100 8.003700 14.042200 7.443300 44.247299 4.828500 FDP 10.403000 SCATter ( chemical "Fr" or chemical "FR" ) 35.929901 0.646453 23.054699 4.176190 12.143900 23.105200 2.112530 150.644989 5.812700 FDP 7.754000 SCATter ( chemical "Ra" or chemical "RA" ) 35.763000 0.616341 22.906399 3.871350 12.473900 19.988701 3.210970 142.324997 6.001099 FDP 8.105000 SCATter ( chemical "Ra+2" or chemical "RA+2" ) 35.215000 0.604909 21.670000 3.576700 7.913420 12.601000 7.650780 29.843599 5.923100 FDP 8.105000 SCATter ( chemical "Ac" or chemical "AC" ) 35.659698 0.589092 23.103199 3.651550 12.597700 18.598999 4.086550 117.019997 5.801600 FDP 8.472000 SCATter ( chemical "Ac+3" or chemical "AC+3" ) 35.173599 0.579689 22.111200 3.414370 8.192160 12.918700 7.055450 25.944300 5.738699 FDP 8.472000 SCATter ( chemical "Th" or chemical "TH" ) 35.564499 0.563359 23.421900 3.462040 12.747300 17.830900 4.807030 99.172195 5.304400 FDP 8.870000 SCATter ( chemical "Th+4" or chemical "TH+4" ) 35.100700 0.555054 22.441799 3.244980 9.785540 13.466100 5.294440 23.953300 5.248999 FDP 8.870000 SCATter ( chemical "Pa" or chemical "PA" ) 35.884701 0.547751 23.294800 3.415190 14.189100 16.923500 4.172870 105.250999 4.468699 FDP 9.284000 SCATter ( chemical "U" ) 36.022800 0.529300 23.412800 3.325300 14.949100 16.092699 4.188000 100.612999 2.723600 FDP 9.653999 SCATter ( chemical "U+3" or chemical "U+3" ) 35.574699 0.520480 22.525900 3.122930 12.216499 12.714800 5.370730 26.339399 2.636200 FDP 9.653999 SCATter ( chemical "U+4" or chemical "U+4" ) 35.371498 0.516598 22.532600 3.050530 12.029100 12.572300 4.798400 23.458200 2.594099 FDP 9.653999 SCATter ( chemical "U+6" or chemical "U+6" ) 34.850899 0.507079 22.758400 2.890300 14.009900 13.176700 1.214570 25.201700 2.493500 FDP 9.653999 SCATter ( chemical "Np" or chemical "NP" ) 36.187401 0.511929 23.596399 3.253960 15.640200 15.362200 4.185500 97.490799 2.199300 FDP 4.148000 SCATter ( chemical "Np+3" or chemical "NP+3" ) 35.707397 0.502322 22.612999 3.038070 12.989799 12.144899 5.432270 25.492800 2.096400 FDP 4.148000 SCATter ( chemical "Np+4" or chemical "NP+4" ) 35.510300 0.498626 22.578699 2.966270 12.776600 11.948400 4.921590 22.750200 2.053599 FDP 4.148000 SCATter ( chemical "Np+6" or chemical "NP+6" ) 35.013599 0.489810 22.728600 2.810990 14.388400 12.330000 1.756690 22.658100 1.955000 FDP 4.148000 SCATter ( chemical "Pu" or chemical "PU" ) 36.525398 0.499384 23.808300 3.263710 16.770700 14.945499 3.479470 105.979996 3.656200 FDP 4.330000 SCATter ( chemical "Pu+3" or chemical "PU+3" ) 35.840000 0.484936 22.716900 2.961180 13.580700 11.533100 5.660160 24.399200 3.474100 FDP 4.330000 SCATter ( chemical "Pu+4" or chemical "PU+4" ) 35.649300 0.481422 22.646000 2.890200 13.359500 11.316000 5.188310 21.830099 3.430500 FDP 4.330000 SCATter ( chemical "Pu+6" or chemical "PU+6" ) 35.173599 0.473204 22.718100 2.738480 14.763500 11.552999 2.286780 20.930300 3.333200 FDP 4.330000 SCATter ( chemical "Am" or chemical "AM" ) 36.670601 0.483629 24.099199 3.206470 17.341499 14.313600 3.493310 102.272995 4.433200 FDP 4.511000 SCATter ( chemical "Cm" or chemical "CM" ) 36.648800 0.465154 24.409599 3.089970 17.399000 13.434600 4.216650 88.483398 4.872700 FDP 4.697000 SCATter ( chemical "Bk" or chemical "BK" ) 36.788101 0.451018 24.773600 3.046190 17.891899 12.894600 4.232840 86.002998 5.285400 FDP 4.908000 SCATter ( chemical "Cff" or chemical "CFF" ) 36.918499 0.437533 25.199499 3.007750 18.331699 12.404400 4.243910 83.788101 5.584400 FDP 5.107000 set echo=true end set message=true end