reference vector +0 +0 +1, all molecules around type 1, (Coulomb) energy integral INT(z*e^2*r*rho*g(r)/(2*epsilon0))dR
distance E(r)[J/mol]
   0.00000000       0.00000000    
   6.07433319E-02   0.00000000    
  0.121486664       0.00000000    
  0.182229996       0.00000000    
  0.242973328       0.00000000    
  0.303716660       0.00000000    
  0.364459991       0.00000000    
  0.425203323     -0.750411391    
  0.485946655      -7.41241312    
  0.546689987      -30.5990677    
  0.607433319      -100.493835    
  0.668176651      -269.837128    
  0.728919983      -590.316772    
  0.789663315      -1123.23120    
  0.850406647      -1973.12634    
  0.911149979      -3240.45581    
  0.971893311      -5026.25146    
   1.03263664      -7493.99219    
   1.09337997      -10772.9521    
   1.15412331      -14999.2080    
   1.21486664      -20530.1289    
   1.27560997      -27631.3105    
   1.33635330      -36510.2500    
   1.39709663      -47494.3516    
   1.45783997      -60697.7734    
   1.51858330      -75923.8438    
   1.57932663      -92567.4688    
   1.64006996      -109902.641    
   1.70081329      -127219.766    
   1.76155663      -143924.719    
   1.82229996      -159795.219    
   1.88304329      -174688.781    
   1.94378662      -188527.734    
   2.00452995      -201431.016    
   2.06527328      -213547.406    
   2.12601662      -225033.938    
   2.18675995      -236169.719    
   2.24750328      -247252.344    
   2.30824661      -258520.359    
   2.36898994      -270162.969    
   2.42973328      -282299.000    
   2.49047661      -294973.812    
   2.55121994      -308072.594    
   2.61196327      -321479.906    
   2.67270660      -335039.406    
   2.73344994      -348516.250    
   2.79419327      -361811.625    
   2.85493660      -374812.969    
   2.91567993      -387410.781    
   2.97642326      -399535.719    
   3.03716660      -411073.281    
   3.09790993      -421974.500    
   3.15865326      -432237.750    
   3.21939659      -441805.531    
   3.28013992      -450651.219    
   3.34088326      -458836.688    
   3.40162659      -466414.406    
   3.46236992      -473394.094    
   3.52311325      -479749.875    
   3.58385658      -485457.469    
   3.64459991      -490494.531    
   3.70534325      -494831.938    
   3.76608658      -498470.844    
   3.82682991      -501490.750    
   3.88757324      -503912.812    
   3.94831657      -505670.469    
   4.00905991      -506814.000    
   4.06980324      -507393.219    
   4.13054657      -507441.188    
   4.19128990      -507004.125    
   4.25203323      -506086.625    
   4.31277657      -504736.250    
   4.37351990      -502971.000    
   4.43426323      -500804.406    
   4.49500656      -498282.500    
   4.55574989      -495511.344    
   4.61649323      -492566.594    
   4.67723656      -489464.594    
   4.73797989      -486276.781    
   4.79872322      -483013.844    
   4.85946655      -479711.562    
   4.92020988      -476413.500    
   4.98095322      -473161.219    
   5.04169655      -469979.938    
   5.10243988      -466827.656    
   5.16318321      -463735.344    
   5.22392654      -460715.750    
   5.28466988      -457761.469    
   5.34541321      -454921.094    
   5.40615654      -452175.156    
   5.46689987      -449487.219    
   5.52764320      -446903.188    
   5.58838654      -444427.781    
   5.64912987      -442047.250    
   5.70987320      -439759.062    
   5.77061653      -437592.438    
   5.83135986      -435523.594    
   5.89210320      -433522.188    
   5.95284653      -431584.031    
   6.01358986      -429738.062    
   6.07433319      -427982.688    
   6.13507652      -426270.844    
   6.19581985      -424627.406    
   6.25656319      -423042.625    
   6.31730652      -421523.281    
   6.37804985      -420075.906    
   6.43879318      -418650.938    
   6.49953651      -417241.625    
   6.56027985      -415885.375    
   6.62102318      -414577.406    
   6.68176651      -413328.500    
   6.74250984      -412102.844    
   6.80325317      -410848.781    
   6.86399651      -409630.750    
   6.92473984      -408498.000    
   6.98548317      -407404.844    
   7.04622650      -406314.531    
   7.10696983      -405248.594    
   7.16771317      -404233.094    
   7.22845650      -403280.656    
   7.28919983      -402389.969    
   7.34994316      -401573.031    
   7.41068649      -400794.188    
   7.47142982      -400083.812    
   7.53217316      -399467.219    
   7.59291649      -398872.094    
   7.65365982      -398354.594    
   7.71440315      -397975.562    
   7.77514648      -397653.312    
   7.83588982      -397387.344    
   7.89663315      -397245.250    
   7.95737648      -397203.531    
   8.01811981      -397181.750    
   8.07886314      -397241.562    
   8.13960648      -397446.594    
   8.20034981      -397738.438    
   8.26109314      -398074.969    
   8.32183647      -398448.219    
   8.38257980      -398922.688    
   8.44332314      -399463.062    
   8.50406647      -400062.656    
   8.56480980      -400712.844    
   8.62555313      -401408.906    
   8.68629646      -402149.781    
   8.74703979      -402869.344    
   8.80778313      -403601.938    
   8.86852646      -404369.531    
   8.92926979      -405149.031    
   8.99001312      -405910.625    
   9.05075645      -406665.312    
   9.11149979      -407446.906    
   9.17224312      -408222.375    
   9.23298645      -408990.219    
   9.29372978      -409747.219    
   9.35447311      -410491.375    
   9.41521645      -411227.281    
   9.47595978      -411944.531    
   9.53670311      -412631.469    
   9.59744644      -413295.500    
   9.65818977      -413959.125    
   9.71893311      -414635.125    
   9.77967644      -415313.438    
   9.84041977      -415933.156    
   9.90116310      -416516.625    
   9.96190643      -417115.938    
   10.0226498      -417649.156    
   10.0833931      -418082.125    
   10.1441364      -418501.000    
   10.2048798      -418892.719    
   10.2656231      -419259.750    
   10.3263664      -419603.156    
   10.3871098      -419886.875    
   10.4478531      -420155.656    
   10.5085964      -420411.125    
   10.5693398      -420621.969    
   10.6300831      -420814.344    
   10.6908264      -420984.438    
   10.7515697      -421103.625    
   10.8123131      -421152.719    
   10.8730564      -421163.781    
   10.9337997      -421166.625    
   10.9945431      -421118.250    
   11.0552864      -421035.656    
   11.1160297      -420941.031    
   11.1767731      -420793.250    
   11.2375164      -420620.281    
   11.2982597      -420422.406    
   11.3590031      -420196.875    
   11.4197464      -419981.969    
   11.4804897      -419726.312    
   11.5412331      -419441.375    
   11.6019764      -419159.438    
   11.6627197      -418874.469    
   11.7234631      -418587.094    
   11.7842064      -418301.906    
   11.8449497      -417988.250    
   11.9056931      -417685.625    
   11.9664364      -417413.750    
   12.0271797      -417118.625    
   12.0879230      -416870.438    
   12.1486664      -416654.375    
   12.2094097      -416440.219    
   12.2701530      -416260.531    
   12.3308964      -416128.469    
   12.3916397      -415997.938    
   12.4523830      -415823.500    
   12.5131264      -415683.656    
   12.5738697      -415619.406    
   12.6346130      -415605.094    
   12.6953564      -415571.219    
   12.7560997      -415556.000    
   12.8168430      -415620.562    
   12.8775864      -415681.375    
   12.9383297      -415732.125    
   12.9990730      -415800.125    
   13.0598164      -415906.906    
   13.1205597      -416038.688    
   13.1813030      -416159.156    
   13.2420464      -416273.375    
   13.3027897      -416385.969    
   13.3635330      -416523.906    
   13.4242764      -416690.906    
   13.4850197      -416890.812    
   13.5457630      -417075.906    
   13.6065063      -417243.094    
   13.6672497      -417439.812    
   13.7279930      -417656.062    
   13.7887363      -417850.812    
   13.8494797      -418042.219    
   13.9102230      -418231.750    
   13.9709663      -418384.781    
   14.0317097      -418529.969    
   14.0924530      -418634.625    
   14.1531963      -418688.750    
   14.2139397      -418779.750    
   14.2746830      -418870.406    
   14.3354263      -418948.469    
   14.3961697      -419025.406    
   14.4569130      -419082.031    
   14.5176563      -419166.781    
   14.5783997      -419235.594    
   14.6391430      -419275.531    
   14.6998863      -419278.062    
   14.7606297      -419230.875    
   14.8213730      -419188.719    
   14.8821163      -419165.500    
   14.9428596      -419110.188    
   15.0036030      -419056.750    
   15.0643463      -419030.344    
   15.1250896      -418972.312    
   15.1858330      -418886.438    
   15.2465763      -418773.750    
   15.3073196      -418682.438    
   15.3680630      -418587.344    
   15.4288063      -418469.188    
   15.4895496      -418363.656    
   15.5502930      -418259.250    
   15.6110363      -418131.438    
   15.6717796      -417963.344    
   15.7325230      -417840.094    
   15.7932663      -417741.562    
   15.8540096      -417596.219    
   15.9147530      -417442.125    
   15.9754963      -417295.406    
   16.0362396      -417134.219    
   16.0969830      -416991.656    
   16.1577263      -416861.406    
   16.2184696      -416691.031    
   16.2792130      -416534.562    
   16.3399563      -416406.406    
   16.4006996      -416300.188    
   16.4614429      -416202.969    
   16.5221863      -416065.438    
   16.5829296      -415912.031    
   16.6436729      -415797.781    
   16.7044163      -415699.250    
   16.7651596      -415558.250    
   16.8259029      -415403.156    
   16.8866463      -415279.594    
   16.9473896      -415190.531    
   17.0081329      -415134.875    
   17.0688763      -415079.875    
   17.1296196      -415040.750    
   17.1903629      -415037.188    
   17.2511063      -415031.219    
   17.3118496      -415028.875    
   17.3725929      -415035.406    
   17.4333363      -415028.438    
   17.4940796      -415041.688    
   17.5548229      -415055.094    
   17.6155663      -415033.625    
   17.6763096      -415025.594    
   17.7370529      -415037.469    
   17.7977962      -415104.250    
   17.8585396      -415156.625    
   17.9192829      -415186.562    
   17.9800262      -415263.719    
   18.0407696      -415316.406    
   18.1015129      -415335.594    
   18.1622562      -415371.344    
   18.2229996      -415437.469    
