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    
   5.89883365E-02   0.00000000    
  0.117976673       0.00000000    
  0.176965013       0.00000000    
  0.235953346       0.00000000    
  0.294941694       0.00000000    
  0.353930026       0.00000000    
  0.412918359       0.00000000    
  0.471906692       0.00000000    
  0.530895054       0.00000000    
  0.589883387       0.00000000    
  0.648871720       0.00000000    
  0.707860053       0.00000000    
  0.766848385     -0.198787451    
  0.825836718      -1.87921047    
  0.884825051      -10.4364786    
  0.943813384      -43.0386200    
   1.00280178      -154.217133    
   1.06179011      -464.164673    
   1.12077844      -1212.51685    
   1.17976677      -2785.90674    
   1.23875511      -5776.47852    
   1.29774344      -10948.2188    
   1.35673177      -18949.2090    
   1.41572011      -29989.4375    
   1.47470844      -44054.6562    
   1.53369677      -60966.3672    
   1.59268510      -80385.6875    
   1.65167344      -101872.109    
   1.71066177      -124980.359    
   1.76965010      -149343.062    
   1.82863843      -174574.922    
   1.88762677      -200275.188    
   1.94661510      -225683.359    
   2.00560355      -249891.141    
   2.06459188      -272161.438    
   2.12358022      -292085.094    
   2.18256855      -309540.500    
   2.24155688      -324675.625    
   2.30054522      -337873.812    
   2.35953355      -349549.875    
   2.41852188      -360121.719    
   2.47751021      -369999.969    
   2.53649855      -379568.250    
   2.59548688      -389180.031    
   2.65447521      -399093.188    
   2.71346354      -409485.188    
   2.77245188      -420472.531    
   2.83144021      -432135.969    
   2.89042854      -444531.000    
   2.94941688      -457565.844    
   3.00840521      -471119.594    
   3.06739354      -485042.969    
   3.12638187      -499109.781    
   3.18537021      -513061.375    
   3.24435854      -526567.812    
   3.30334687      -539271.312    
   3.36233521      -550861.125    
   3.42132354      -561077.625    
   3.48031187      -569673.750    
   3.53930020      -576517.938    
   3.59828854      -581557.875    
   3.65727687      -584742.938    
   3.71626520      -586184.312    
   3.77525353      -586033.125    
   3.83424187      -584429.000    
   3.89323020      -581534.812    
   3.95221853      -577479.562    
   4.01120710      -572347.062    
   4.07019520      -566290.125    
   4.12918377      -559440.688    
   4.18817186      -551908.750    
   4.24716043      -543903.875    
   4.30614853      -535602.188    
   4.36513710      -527192.500    
   4.42412519      -518825.531    
   4.48311377      -510683.250    
   4.54210186      -502963.438    
   4.60109043      -495718.656    
   4.66007853      -489007.125    
   4.71906710      -482895.406    
   4.77805519      -477401.750    
   4.83704376      -472508.969    
   4.89603186      -468193.406    
   4.95502043      -464431.375    
   5.01400852      -461181.625    
   5.07299709      -458352.031    
   5.13198519      -455895.406    
   5.19097376      -453760.281    
   5.24996185      -451883.344    
   5.30895042      -450211.750    
   5.36793852      -448653.656    
   5.42692709      -447148.062    
   5.48591518      -445657.312    
   5.54490376      -444217.156    
   5.60389185      -442795.062    
   5.66288042      -441332.219    
   5.72186852      -439839.875    
   5.78085709      -438316.562    
   5.83984518      -436772.531    
   5.89883375      -435214.875    
   5.95782185      -433613.469    
   6.01681042      -432005.375    
   6.07579851      -430395.375    
   6.13478708      -428767.156    
   6.19377518      -427166.281    
   6.25276375      -425633.594    
   6.31175184      -424169.719    
   6.37074041      -422688.125    
   6.42972851      -421228.250    
   6.48871708      -419842.094    
   6.54770517      -418546.875    
   6.60669374      -417325.188    
   6.66568184      -416134.375    
   6.72467041      -415032.469    
   6.78365850      -414009.000    
   6.84264708      -413061.938    
   6.90163517      -412241.719    
   6.96062374      -411517.656    
   7.01961184      -410867.625    
   7.07860041      -410313.500    
   7.13758850      -409824.500    
   7.19657707      -409435.531    
   7.25556517      -409173.094    
   7.31455374      -409012.688    
   7.37354183      -408949.781    
   7.43253040      -408969.219    
   7.49151850      -409085.500    
   7.55050707      -409312.906    
   7.60949564      -409652.719    
   7.66848373      -410098.750    
   7.72747231      -410666.750    
   7.78646040      -411319.594    
   7.84544897      -412046.000    
   7.90443707      -412872.188    
   7.96342564      -413793.031    
   8.02241421      -414804.219    
   8.08140182      -415889.062    
   8.14039040      -417058.281    
   8.19937897      -418275.125    
   8.25836754      -419541.719    
   8.31735516      -420900.188    
   8.37634373      -422304.656    
   8.43533230      -423724.781    
   8.49432087      -425155.438    
   8.55330849      -426617.188    
   8.61229706      -428093.875    
   8.67128563      -429573.875    
   8.73027420      -431024.375    
   8.78926182      -432436.375    
   8.84825039      -433859.250    
   8.90723896      -435221.375    
   8.96622753      -436510.312    
   9.02521515      -437720.219    
   9.08420372      -438852.625    
   9.14319229      -439970.312    
   9.20218086      -441018.250    
   9.26116848      -441945.125    
   9.32015705      -442822.938    
   9.37914562      -443640.562    
   9.43813419      -444395.844    
   9.49712181      -445083.469    
   9.55611038      -445687.312    
   9.61509895      -446211.094    
   9.67408752      -446661.812    
   9.73307514      -447083.344    
   9.79206371      -447459.781    
   9.85105228      -447764.781    
   9.91004086      -448020.781    
   9.96902847      -448227.594    
   10.0280170      -448354.594    
   10.0870056      -448432.188    
   10.1459942      -448437.188    
   10.2049818      -448377.969    
   10.2639704      -448265.406    
   10.3229589      -448128.094    
   10.3819475      -447965.062    
   10.4409351      -447725.625    
   10.4999237      -447483.250    
   10.5589123      -447242.000    
   10.6179008      -446940.250    
   10.6768885      -446631.062    
   10.7358770      -446295.344    
   10.7948656      -445950.062    
   10.8538542      -445620.375    
   10.9128418      -445234.625    
   10.9718304      -444795.719    
   11.0308189      -444384.125    
   11.0898075      -443995.938    
   11.1487951      -443568.156    
   11.2077837      -443112.094    
   11.2667723      -442653.750    
   11.3257608      -442180.125    
   11.3847494      -441692.656    
   11.4437370      -441247.156    
   11.5027256      -440850.062    
   11.5617142      -440447.094    
   11.6207027      -440022.469    
   11.6796904      -439680.656    
   11.7386789      -439355.719    
   11.7976675      -438969.969    
   11.8566561      -438611.375    
   11.9156437      -438318.438    
   11.9746323      -438078.531    
   12.0336208      -437879.844    
   12.0926094      -437704.125    
   12.1515970      -437544.312    
   12.2105856      -437404.219    
   12.2695742      -437288.969    
   12.3285627      -437245.375    
   12.3875504      -437299.156    
   12.4465389      -437383.312    
   12.5055275      -437439.438    
   12.5645161      -437514.031    
   12.6235037      -437615.406    
   12.6824923      -437738.812    
   12.7414808      -437922.125    
   12.8004694      -438113.406    
   12.8594570      -438318.250    
   12.9184456      -438534.969    
   12.9774342      -438752.594    
   13.0364227      -439025.062    
   13.0954103      -439331.062    
   13.1543989      -439656.938    
   13.2133875      -440009.906    
   13.2723761      -440345.812    
   13.3313637      -440692.812    
   13.3903522      -441061.594    
   13.4493408      -441394.656    
   13.5083294      -441696.000    
   13.5673170      -442004.750    
   13.6263056      -442310.562    
   13.6852942      -442600.469    
   13.7442827      -442886.812    
   13.8032703      -443144.281    
   13.8622589      -443383.875    
   13.9212475      -443594.344    
   13.9802361      -443749.250    
   14.0392237      -443852.406    
   14.0982122      -443944.719    
   14.1572008      -444015.125    
   14.2161894      -444034.344    
   14.2751770      -444047.625    
   14.3341656      -444066.344    
   14.3931541      -444086.000    
   14.4521427      -444077.438    
   14.5111303      -443999.906    
   14.5701189      -443899.969    
   14.6291075      -443796.656    
   14.6880960      -443679.625    
   14.7470837      -443565.625    
   14.8060722      -443386.219    
   14.8650608      -443163.312    
   14.9240494      -442971.438    
   14.9830370      -442759.875    
   15.0420256      -442512.906    
   15.1010141      -442251.781    
   15.1600027      -441985.781    
   15.2189913      -441737.344    
   15.2779789      -441495.375    
   15.3369675      -441243.219    
   15.3959560      -440981.719    
   15.4549446      -440695.125    
   15.5139322      -440432.656    
   15.5729208      -440183.938    
   15.6319094      -439913.938    
   15.6908979      -439657.500    
   15.7498856      -439394.562    
   15.8088741      -439158.531    
   15.8678627      -438970.219    
   15.9268513      -438768.031    
   15.9858389      -438556.875    
   16.0448284      -438378.188    
   16.1038151      -438233.094    
   16.1628036      -438113.125    
   16.2217922      -437991.812    
   16.2807808      -437868.969    
   16.3397694      -437776.156    
   16.3987579      -437665.375    
   16.4577465      -437556.031    
   16.5167351      -437485.562    
   16.5757217      -437384.625    
   16.6347103      -437300.281    
   16.6936989      -437285.906    
   16.7526875      -437275.500    
   16.8116760      -437240.125    
   16.8706646      -437226.531    
   16.9296532      -437221.156    
   16.9886417      -437197.469    
   17.0476284      -437195.906    
   17.1066170      -437202.156    
   17.1656055      -437227.344    
   17.2245941      -437278.969    
   17.2835827      -437313.094    
   17.3425713      -437348.562    
   17.4015598      -437400.500    
   17.4605484      -437468.031    
   17.5195351      -437561.906    
   17.5785236      -437662.906    
   17.6375122      -437773.344    
   17.6965008      -437863.562    
