# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Mo # implementation = 1987--Ackland-G-J--Mo--LAMMPS--ipr1 # composition = Mo # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 9.364675419e+03 nan 0.60 nan nan nan nan nan nan nan nan 8.240641746e+03 nan 0.62 nan nan nan nan nan 6.320690120e+03 nan nan 7.271244210e+03 nan 0.64 nan nan nan nan nan 5.600628946e+03 nan nan 6.432423350e+03 nan 0.66 nan nan nan nan nan 4.975309067e+03 nan nan 5.704393605e+03 nan 0.68 nan nan nan nan nan 4.430034321e+03 nan nan 5.070709796e+03 nan 0.70 nan nan nan 1.001305091e+04 1.001323583e+04 3.952065323e+03 nan nan 4.517472852e+03 6.526919624e+03 0.72 nan 5.734984057e+03 nan 8.993305979e+03 8.993852921e+03 3.532450968e+03 5.902249265e+03 nan 4.033269700e+03 5.843106430e+03 0.74 nan 5.137240460e+03 nan 8.091975075e+03 8.092425992e+03 3.164504046e+03 5.291549840e+03 nan 3.608541563e+03 5.241235622e+03 0.76 nan 4.609972821e+03 nan 7.294097337e+03 7.294272356e+03 2.841377950e+03 4.752569024e+03 nan 3.234634660e+03 4.710181773e+03 0.78 nan 4.143767020e+03 nan 6.586317415e+03 6.586253813e+03 2.555928341e+03 4.276039366e+03 nan 2.904230424e+03 4.240894983e+03 0.80 5.957344299e+03 3.731059224e+03 5.317733860e+03 5.956697682e+03 5.956390990e+03 2.303112882e+03 3.854287344e+03 5.507479920e+03 2.611819545e+03 3.825093856e+03 0.82 5.395647342e+03 3.364633723e+03 4.811377876e+03 5.395353627e+03 5.395125943e+03 2.078334070e+03 3.480256562e+03 4.984211176e+03 2.352691037e+03 3.454853465e+03 0.84 4.893936821e+03 3.039031252e+03 4.359009508e+03 4.894152678e+03 4.894203122e+03 1.877870088e+03 3.147018248e+03 4.517193785e+03 2.122409132e+03 3.124732728e+03 0.86 4.444952567e+03 2.748593878e+03 3.954934333e+03 4.445588565e+03 4.445902000e+03 1.699019057e+03 2.849451295e+03 4.099666333e+03 1.917301476e+03 2.830388742e+03 0.88 4.042220913e+03 2.489464921e+03 3.593014289e+03 4.043211160e+03 4.043689956e+03 1.539284156e+03 2.583713781e+03 3.725917335e+03 1.734453750e+03 2.567992769e+03 0.90 3.681332092e+03 2.258229199e+03 3.268518924e+03 3.682037611e+03 3.682487641e+03 1.396424942e+03 2.345920295e+03 3.391139673e+03 1.571072940e+03 2.332925549e+03 0.92 3.357544264e+03 2.051005696e+03 2.977017213e+03 3.357480186e+03 3.357774255e+03 1.268012982e+03 2.132833146e+03 3.090517082e+03 1.425052070e+03 2.121912335e+03 0.94 3.065769985e+03 1.865023489e+03 2.715332053e+03 3.065330010e+03 3.065424908e+03 1.152418123e+03 1.941613604e+03 2.819862455e+03 1.294299271e+03 1.931993457e+03 0.96 2.802428808e+03 1.698184010e+03 2.480496075e+03 2.801999416e+03 2.801933011e+03 1.048516192e+03 1.769671950e+03 2.575907633e+03 1.177183546e+03 1.760887046e+03 0.98 2.564554571e+03 1.548295695e+03 2.268503710e+03 2.564194402e+03 2.563961218e+03 9.548025699e+02 1.614351364e+03 2.355753909e+03 1.071962955e+03 1.606726841e+03 1.00 2.349395543e+03 1.412938891e+03 2.076673895e+03 2.349138889e+03 2.348769899e+03 8.701467679e+02 1.473928728e+03 2.156658303e+03 9.772697126e+02 1.467726633e+03 1.02 2.154491422e+03 1.290549370e+03 1.902838358e+03 2.154479515e+03 2.154083219e+03 7.934655958e+02 1.347031361e+03 1.976516712e+03 8.919634068e+02 1.342261734e+03 1.04 1.977928932e+03 1.179851636e+03 1.745103022e+03 1.978056360e+03 1.977791163e+03 7.238947662e+02 1.232341156e+03 1.813412105e+03 8.147832503e+02 1.229139427e+03 1.06 1.817526460e+03 1.079809393e+03 1.601888684e+03 1.817827602e+03 1.817850778e+03 6.607942177e+02 1.128772473e+03 1.665341576e+03 7.447647237e+02 1.126781542e+03 1.08 1.671841758e+03 9.892611043e+02 1.471879966e+03 1.672091480e+03 1.672316189e+03 6.036385101e+02 1.035060638e+03 1.530783904e+03 6.811543941e+02 1.034187797e+03 1.10 1.539427893e+03 9.070247300e+02 1.353782894e+03 1.539453848e+03 1.539779839e+03 5.518726339e+02 9.502290691e+02 1.408264629e+03 6.233002095e+02 9.502819088e+02 1.12 1.418420127e+03 8.321593887e+02 1.246079471e+03 1.418425814e+03 1.418832702e+03 5.048537294e+02 8.733317798e+02 1.296361023e+03 5.705646869e+02 8.738254520e+02 1.14 1.307681130e+03 7.640545239e+02 1.147837131e+03 1.307899135e+03 1.308345015e+03 4.622573178e+02 8.035152938e+02 1.194143848e+03 5.224266074e+02 8.041450828e+02 1.16 1.206370001e+03 7.022466648e+02 1.058259336e+03 1.206765087e+03 1.207181375e+03 4.238060572e+02 7.398837877e+02 1.100879279e+03 4.783751483e+02 7.405815030e+02 1.18 1.113730465e+03 6.460712422e+02 9.761802770e+02 1.114196740e+03 1.114539614e+03 3.887722572e+02 6.816954943e+02 1.015890787e+03 4.380984743e+02 6.823582200e+02 1.20 1.029081094e+03 5.950333852e+02 9.008731609e+02 1.029534680e+03 1.029757439e+03 3.567693389e+02 6.284170134e+02 9.384933576e+02 4.013401212e+02 6.288806593e+02 1.22 9.519460834e+02 5.484958999e+02 8.318992095e+02 9.522088574e+02 9.522491600e+02 3.275361621e+02 5.795767434e+02 8.679062951e+02 3.678351733e+02 5.796750989e+02 1.24 8.817361967e+02 5.057888976e+02 7.689209645e+02 8.816265021e+02 8.814542101e+02 3.008847477e+02 5.347523978e+02 8.032871000e+02 3.372081688e+02 5.343182273e+02 1.26 8.172383433e+02 4.665520562e+02 7.115776585e+02 8.168679067e+02 8.165658776e+02 2.766053540e+02 4.935691072e+02 7.439075975e+02 3.091483530e+02 4.924906565e+02 1.28 7.578695930e+02 4.304455323e+02 6.593135818e+02 7.573559454e+02 7.569795173e+02 2.545409362e+02 4.556781656e+02 6.892952712e+02 2.833958208e+02 4.539417845e+02 1.30 7.031548618e+02 3.971595596e+02 6.115690186e+02 7.026114952e+02 7.021774254e+02 2.345442842e+02 4.207099583e+02 6.390368382e+02 2.597715112e+02 4.184368633e+02 1.32 6.527135048e+02 3.664267489e+02 5.676555921e+02 6.521914860e+02 6.517288584e+02 2.162930008e+02 3.883132834e+02 5.927282538e+02 2.381568969e+02 3.858328012e+02 1.34 6.061966501e+02 3.380215241e+02 5.271332536e+02 6.057331251e+02 6.052972786e+02 1.995875907e+02 3.582515620e+02 5.499810689e+02 2.184406427e+02 3.559474332e+02 1.36 5.631653837e+02 3.117933024e+02 4.896727123e+02 5.628593176e+02 5.625442974e+02 1.842829255e+02 3.303615435e+02 5.105119355e+02 2.004290930e+02 3.283037876e+02 1.38 5.233192930e+02 2.876195183e+02 4.549882900e+02 5.232532757e+02 5.231376894e+02 1.702549116e+02 3.044856213e+02 4.740791292e+02 1.839284062e+02 3.027173958e+02 1.40 4.864769448e+02 2.653744403e+02 4.228879349e+02 4.866178745e+02 4.866902348e+02 1.574257090e+02 2.805084477e+02 4.404260790e+02 1.688293700e+02 2.791158018e+02 1.42 4.524383411e+02 2.448844215e+02 3.931370884e+02 4.527245859e+02 4.529506748e+02 1.456852398e+02 2.583412935e+02 4.092944640e+02 1.549699614e+02 2.574061962e+02 1.44 4.210251021e+02 2.259361958e+02 3.654468167e+02 4.213840633e+02 4.217102223e+02 1.348616557e+02 2.378321582e+02 3.805060881e+02 1.422531784e+02 2.375092513e+02 1.46 3.920761461e+02 2.083337681e+02 3.396110423e+02 3.924397323e+02 3.927945765e+02 1.248517021e+02 2.188958336e+02 3.538681559e+02 1.305979317e+02 2.193529928e+02 1.48 3.651899744e+02 1.919245920e+02 3.154935785e+02 3.655369168e+02 3.658947149e+02 1.156085742e+02 2.014988436e+02 3.290614428e+02 1.199147112e+02 2.026251649e+02 1.50 3.401117037e+02 1.765905084e+02 2.929546888e+02 3.404368056e+02 3.407878981e+02 1.070691879e+02 1.855261395e+02 3.059002224e+02 1.100621598e+02 1.871442607e+02 1.52 3.166813839e+02 1.622491723e+02 2.718588897e+02 3.169780362e+02 3.173113467e+02 9.916260066e+01 1.708152732e+02 2.842696841e+02 1.009528652e+02 1.728104630e+02 1.54 2.947576780e+02 1.488447734e+02 2.520908430e+02 2.950255042e+02 2.953288346e+02 9.182645552e+01 1.572821281e+02 2.640679516e+02 9.252473801e+01 1.595339004e+02 1.56 2.742199835e+02 1.363400614e+02 2.335545653e+02 2.744633188e+02 2.747232687e+02 8.500668264e+01 1.448503723e+02 2.452254144e+02 8.473167310e+01 1.472341025e+02 1.58 2.550345449e+02 1.246819044e+02 2.161727231e+02 2.552298486e+02 2.554233735e+02 7.865723393e+01 1.333426409e+02 2.276843834e+02 7.753259844e+01 1.358395177e+02 1.60 2.371420979e+02 1.138249544e+02 1.998885648e+02 2.372545478e+02 2.373551133e+02 7.273984715e+01 1.226635665e+02 2.113033312e+02 7.087797368e+01 1.252870966e+02 1.62 2.204678291e+02 1.037347754e+02 1.846967831e+02 2.204717995e+02 2.204620678e+02 6.722383609e+01 1.127568974e+02 1.959674892e+02 6.473186063e+01 1.155219138e+02 1.64 2.049074143e+02 9.436525044e+01 1.705561987e+02 2.047921177e+02 2.046692204e+02 6.208664113e+01 1.035752902e+02 1.815929232e+02 5.905584727e+01 1.064745597e+02 1.66 1.902874557e+02 8.563875695e+01 1.574062850e+02 1.900831029e+02 1.898768622e+02 5.732880372e+01 9.508056113e+01 1.680834085e+02 5.381517425e+01 9.804131382e+01 1.68 1.765315724e+02 7.752917489e+01 1.452384583e+02 1.762840652e+02 1.760365580e+02 5.294819910e+01 8.722891623e+01 1.553889376e+02 4.898019136e+01 9.016715266e+01 1.70 1.635848994e+02 7.002023226e+01 1.340436607e+02 1.633500900e+02 1.631152807e+02 4.894149671e+01 7.996772572e+01 1.434597962e+02 4.451035714e+01 8.282733728e+01 1.72 1.514012122e+02 6.310301640e+01 1.236430597e+02 1.512008103e+02 1.510004084e+02 4.522106909e+01 7.322267169e+01 1.322546063e+02 4.037124532e+01 7.600108312e+01 1.74 1.399352564e+02 5.677451182e+01 1.138931989e+02 1.397677033e+02 1.396001502e+02 4.171759422e+01 6.695001365e+01 1.217407367e+02 3.654122731e+01 6.964931751e+01 1.76 1.291500162e+02 5.095202724e+01 1.047504594e+02 1.290201831e+02 1.288903499e+02 3.841231847e+01 6.111076348e+01 1.118982049e+02 3.299256936e+01 6.373717335e+01 1.78 1.190164610e+02 4.557894417e+01 9.617542803e+01 1.189281117e+02 1.188397624e+02 3.528926903e+01 5.566893445e+01 1.027207613e+02 2.971030665e+01 5.823384662e+01 1.80 1.095133186e+02 4.064316808e+01 8.813691833e+01 1.094676500e+02 1.094219814e+02 3.233940777e+01 5.059292162e+01 9.420095550e+01 2.668299805e+01 5.311246992e+01 1.82 1.006268725e+02 3.612208103e+01 8.060924663e+01 1.006220499e+02 1.006172274e+02 2.955801626e+01 4.586246690e+01 8.630697602e+01 2.389110188e+01 4.835000013e+01 1.84 9.235076608e+01 3.196514764e+01 7.356450618e+01 9.238146261e+01 9.241215914e+01 2.693706668e+01 4.145175463e+01 7.898470403e+01 2.129866778e+01 4.392710447e+01 1.86 8.470464656e+01 2.815577849e+01 6.697827243e+01 8.475688065e+01 8.480911473e+01 2.447101305e+01 3.733567519e+01 7.224324740e+01 1.888966948e+01 3.984687786e+01 1.88 7.771224117e+01 2.467932463e+01 6.082951973e+01 7.776319883e+01 7.781415648e+01 2.215678429e+01 3.349326910e+01 6.598843786e+01 1.665591137e+01 3.611544032e+01 1.90 7.123052010e+01 2.150485459e+01 5.510051155e+01 7.127223430e+01 7.131394850e+01 1.999374211e+01 2.991412240e+01 6.014035565e+01 1.459232704e+01 3.267153077e+01 1.92 6.516123312e+01 1.860597577e+01 4.977670266e+01 6.519537670e+01 6.522952028e+01 1.798364330e+01 2.659035344e+01 5.467355144e+01 1.269092996e+01 2.946995556e+01 1.94 5.947887351e+01 1.596312668e+01 4.484665212e+01 5.950804170e+01 5.953720988e+01 1.613060601e+01 2.350952151e+01 4.956422660e+01 1.094587195e+01 2.649090098e+01 1.96 5.415953765e+01 1.355761245e+01 4.030194586e+01 5.418741218e+01 5.421528672e+01 1.444107954e+01 2.065985688e+01 4.479014143e+01 9.353432760e+00 2.371620991e+01 1.98 4.918082288e+01 1.137156556e+01 3.613712781e+01 4.921233806e+01 4.924385323e+01 1.292381734e+01 1.803655733e+01 4.033053923e+01 7.911995648e+00 2.112932451e+01 2.00 4.452174970e+01 9.387912493e+00 3.233733591e+01 4.456223317e+01 4.460271664e+01 1.157755001e+01 1.562869900e+01 3.616629707e+01 6.619736011e+00 1.871523919e+01 2.02 4.016269687e+01 7.590344500e+00 2.881843716e+01 4.021202624e+01 4.026135561e+01 1.033115327e+01 1.340458817e+01 3.228658982e+01 5.440492447e+00 1.646046812e+01 2.04 3.608534366e+01 5.963292051e+00 2.554994408e+01 3.614235012e+01 3.619935659e+01 9.166593312e+00 1.135207078e+01 2.867820180e+01 4.356996316e+00 1.435301621e+01 2.06 3.227274615e+01 4.491966473e+00 2.251477015e+01 3.233622891e+01 3.239971166e+01 8.078622630e+00 9.460682422e+00 2.532576070e+01 3.364606308e+00 1.238241738e+01 2.08 2.871840891e+01 3.166899216e+00 1.970271342e+01 2.878482370e+01 2.885123850e+01 7.062207841e+00 7.721361511e+00 2.221819743e+01 2.459709460e+00 1.054427032e+01 2.10 2.541342321e+01 1.977514469e+00 1.710187572e+01 2.547777608e+01 2.554212895e+01 6.112515984e+00 6.126429329e+00 1.934443670e+01 1.639709269e+00 8.833807666e+00 2.12 2.234420649e+01 9.110022662e-01 1.469715007e+01 2.240150347e+01 2.245880045e+01 5.224902302e+00 4.669572423e+00 1.669262387e+01 9.030151921e-01 7.244765654e+00 2.14 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