# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Al-C # implementation = 2019--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = Al # 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 nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan 7.583381652e+02 nan nan nan nan 0.70 nan nan nan nan nan 6.844532942e+02 nan nan 8.042063993e+02 nan 0.72 nan nan nan nan nan 6.187934455e+02 nan nan 7.280984138e+02 nan 0.74 nan nan nan nan nan 5.601879324e+02 nan nan 6.602146069e+02 nan 0.76 nan nan nan nan nan 5.081071036e+02 nan nan 5.994992458e+02 nan 0.78 nan 7.692567871e+02 nan nan nan 4.620375304e+02 7.824027595e+02 nan 5.450217858e+02 7.708831997e+02 0.80 nan 7.025682566e+02 nan nan nan 4.209354477e+02 7.147502309e+02 nan 4.960222375e+02 7.048298698e+02 0.82 nan 6.425220135e+02 nan nan nan 3.837377848e+02 6.542876439e+02 nan 4.518647786e+02 6.451802129e+02 0.84 nan 5.884583376e+02 nan nan nan 3.498187774e+02 6.000064868e+02 nan 4.122216762e+02 5.909555675e+02 0.86 nan 5.394114199e+02 7.411247318e+02 nan nan 3.187513252e+02 5.507332260e+02 7.639039705e+02 3.766583415e+02 5.415084460e+02 0.88 7.545808002e+02 4.951829979e+02 6.816185213e+02 7.551405496e+02 7.553734125e+02 2.904859743e+02 5.056781139e+02 7.031428281e+02 3.447363618e+02 4.966835186e+02 0.90 6.959535667e+02 4.550448497e+02 6.277464419e+02 6.965395020e+02 6.968484943e+02 2.650954640e+02 4.644469933e+02 6.482298860e+02 3.159323037e+02 4.562116976e+02 0.92 6.427085474e+02 4.185581135e+02 5.793093212e+02 6.431046051e+02 6.433394935e+02 2.426721282e+02 4.269140165e+02 5.985234628e+02 2.898684225e+02 4.197706514e+02 0.94 5.945019063e+02 3.853916846e+02 5.353440359e+02 5.944835331e+02 5.945514287e+02 2.227732781e+02 3.928110695e+02 5.534429277e+02 2.661012236e+02 3.868674696e+02 0.96 5.507269852e+02 3.551312106e+02 4.952759727e+02 5.502541586e+02 5.501252647e+02 2.047675074e+02 3.618622980e+02 5.122663403e+02 2.443051302e+02 3.569484238e+02 0.98 5.105150133e+02 3.274677747e+02 4.587518572e+02 5.098347324e+02 5.095459949e+02 1.882759970e+02 3.338772209e+02 4.743583286e+02 2.244099571e+02 3.295498576e+02 1.00 4.733713432e+02 3.021127638e+02 4.253303033e+02 4.727848107e+02 4.724395899e+02 1.731775640e+02 3.085387523e+02 4.393611740e+02 2.062052100e+02 3.043088916e+02 1.02 4.389757088e+02 2.789441008e+02 3.944284662e+02 4.387487493e+02 4.385065489e+02 1.593018443e+02 2.853264316e+02 4.070551671e+02 1.896165701e+02 2.809794429e+02 1.04 4.072874005e+02 2.577568532e+02 3.655986869e+02 4.074248714e+02 4.073394899e+02 1.464164614e+02 2.638033367e+02 3.773383694e+02 1.743333189e+02 2.595717943e+02 1.06 3.781040510e+02 2.380967598e+02 3.389087418e+02 3.785256864e+02 3.785988827e+02 1.345459817e+02 2.439022067e+02 3.499970869e+02 1.602764632e+02 2.400066814e+02 1.08 3.511418898e+02 2.199554801e+02 3.142101776e+02 3.517903020e+02 3.520156183e+02 1.236440937e+02 2.256451562e+02 3.249209087e+02 1.474013808e+02 2.222222064e+02 1.10 3.264557740e+02 2.034079380e+02 2.913711391e+02 3.270941460e+02 3.274333471e+02 1.136521386e+02 2.089317769e+02 3.019994100e+02 1.355550697e+02 2.059874602e+02 1.12 3.039287735e+02 1.883586385e+02 2.704349254e+02 3.043056468e+02 3.046904063e+02 1.045613168e+02 1.936155789e+02 2.809715562e+02 1.246355144e+02 1.909278906e+02 1.14 2.832822239e+02 1.744725642e+02 2.513304365e+02 2.832598204e+02 2.835647537e+02 9.623785247e+01 1.795325007e+02 2.615670712e+02 1.146597890e+02 1.769581081e+02 1.16 2.641623550e+02 1.616162819e+02 2.340412787e+02 2.638384437e+02 2.639820429e+02 8.867634277e+01 1.665526438e+02 2.435910655e+02 1.055547729e+02 1.639662586e+02 1.18 2.463168931e+02 1.497542615e+02 2.182940803e+02 2.458776250e+02 2.458495730e+02 8.178692082e+01 1.545560012e+02 2.268558309e+02 9.725182198e+01 1.517917135e+02 1.20 2.296330019e+02 1.388549074e+02 2.037370218e+02 2.292705071e+02 2.290979534e+02 7.549160116e+01 1.433090132e+02 2.113406606e+02 8.968654934e+01 1.404312875e+02 1.22 2.141469944e+02 1.288162209e+02 1.901189872e+02 2.138679090e+02 2.135645720e+02 6.966361858e+01 1.327227079e+02 1.969698672e+02 8.272408230e+01 1.299469875e+02 1.24 1.997676981e+02 1.194531592e+02 1.773376757e+02 1.995777439e+02 1.991937416e+02 6.420651341e+01 1.227670403e+02 1.836645677e+02 7.635920546e+01 1.202323297e+02 1.26 1.864335559e+02 1.107233606e+02 1.652880905e+02 1.863609707e+02 1.859706089e+02 5.900898435e+01 1.134936190e+02 1.713945690e+02 7.056372086e+01 1.112214484e+02 1.28 1.741654462e+02 1.026026213e+02 1.539764568e+02 1.741698054e+02 1.738447548e+02 5.407354649e+01 1.049075550e+02 1.600577630e+02 6.524827192e+01 1.029662694e+02 1.30 1.628704090e+02 9.501892267e+01 1.434381798e+02 1.628942408e+02 1.626956868e+02 4.944039710e+01 9.698959080e+01 1.494807321e+02 6.031780719e+01 9.539837054e+01 1.32 1.523579382e+02 8.793207330e+01 1.337020898e+02 1.523740974e+02 1.523228893e+02 4.515204490e+01 8.975015244e+01 1.395037029e+02 5.567756224e+01 8.847327983e+01 1.34 1.424419879e+02 8.127833726e+01 1.247796955e+02 1.424574991e+02 1.425465746e+02 4.125172849e+01 8.312162612e+01 1.300852148e+02 5.132269394e+01 8.220513794e+01 1.36 1.331029878e+02 7.503291428e+01 1.165238611e+02 1.331179806e+02 1.333111845e+02 3.775022423e+01 7.709128336e+01 1.212113768e+02 4.723545320e+01 7.654141499e+01 1.38 1.242119716e+02 6.918921756e+01 1.087382039e+02 1.242880756e+02 1.245604279e+02 3.457101209e+01 7.157631956e+01 1.128302226e+02 4.339521109e+01 7.131071841e+01 1.40 1.157910461e+02 6.377864197e+01 1.013262594e+02 1.159645433e+02 1.162898752e+02 3.167200075e+01 6.650352363e+01 1.049486118e+02 3.980908649e+01 6.648439819e+01 1.42 1.078660711e+02 5.883345595e+01 9.430689346e+01 1.081320389e+02 1.084817345e+02 2.906095984e+01 6.181551167e+01 9.758521809e+01 3.646271423e+01 6.201401931e+01 1.44 1.004340445e+02 5.436541314e+01 8.769182741e+01 1.007600831e+02 1.011070668e+02 2.671634157e+01 5.744268051e+01 9.077592838e+01 3.333468399e+01 5.777477091e+01 1.46 9.350442746e+01 5.032786704e+01 8.140996115e+01 9.386129736e+01 9.418423873e+01 2.451427894e+01 5.335232722e+01 8.453582594e+01 3.041604656e+01 5.371086506e+01 1.48 8.711049953e+01 4.670506425e+01 7.548124118e+01 8.744227811e+01 8.769732656e+01 2.244366760e+01 4.954368527e+01 7.885074814e+01 2.772052706e+01 4.982610417e+01 1.50 8.128117166e+01 4.341002625e+01 6.993870089e+01 8.152754371e+01 8.167326685e+01 2.050768488e+01 4.600479905e+01 7.363306809e+01 2.524220249e+01 4.613148036e+01 1.52 7.602905096e+01 4.033711406e+01 6.479474589e+01 7.611225935e+01 7.611678408e+01 1.868864594e+01 4.269944802e+01 6.883086734e+01 2.296129159e+01 4.263821829e+01 1.54 7.129173140e+01 3.738819898e+01 6.007911235e+01 7.116466668e+01 7.101582552e+01 1.698837789e+01 3.960764222e+01 6.434762565e+01 2.083555201e+01 3.935777060e+01 1.56 6.681198755e+01 3.455567770e+01 5.582040739e+01 6.652775079e+01 6.626129718e+01 1.541483393e+01 3.672941703e+01 6.009050691e+01 1.885625902e+01 3.625669738e+01 1.58 6.250693312e+01 3.183255463e+01 5.199413556e+01 6.213811237e+01 6.180434085e+01 1.397443092e+01 3.405232188e+01 5.603731392e+01 1.700700197e+01 3.329204406e+01 1.60 5.838689460e+01 2.922892433e+01 4.850660244e+01 5.798521025e+01 5.761421579e+01 1.267098151e+01 3.152978003e+01 5.219762437e+01 1.526961837e+01 3.048500021e+01 1.62 5.446235775e+01 2.675512883e+01 4.531277094e+01 5.407090827e+01 5.369265193e+01 1.149038464e+01 2.911498650e+01 4.857964108e+01 1.365696710e+01 2.785673490e+01 1.64 5.074328760e+01 2.442184436e+01 4.231601224e+01 5.038398475e+01 5.002802355e+01 1.039219377e+01 2.679966775e+01 4.516721216e+01 1.218145400e+01 2.542737290e+01 1.66 4.723424419e+01 2.224013039e+01 3.950563684e+01 4.692771563e+01 4.662240443e+01 9.375066755e+00 2.457667722e+01 4.195609950e+01 1.085163123e+01 2.319932418e+01 1.68 4.391751088e+01 2.022107995e+01 3.687578832e+01 4.368807673e+01 4.345867391e+01 8.439653387e+00 2.242503000e+01 3.895168950e+01 9.652121610e+00 2.109948592e+01 1.70 4.079843467e+01 1.837484726e+01 3.441992742e+01 4.066714773e+01 4.053460443e+01 7.585783972e+00 2.035541840e+01 3.613740453e+01 8.563495873e+00 1.912696856e+01 1.72 3.788635274e+01 1.670900739e+01 3.213063606e+01 3.785252818e+01 3.781613466e+01 6.812086793e+00 1.838104311e+01 3.351319607e+01 7.576734344e+00 1.729583959e+01 1.74 3.517379636e+01 1.521068654e+01 2.999002458e+01 3.522527265e+01 3.527300551e+01 6.115697490e+00 1.651606109e+01 3.105546437e+01 6.688829309e+00 1.561307776e+01 1.76 3.263938506e+01 1.385073280e+01 2.797052447e+01 3.276671491e+01 3.288947229e+01 5.489017243e+00 1.477595074e+01 2.875292121e+01 5.879773667e+00 1.407821136e+01 1.78 3.028996456e+01 1.261071726e+01 2.605098603e+01 3.047947124e+01 3.066402378e+01 4.909236739e+00 1.315796895e+01 2.661053636e+01 5.146297639e+00 1.270196020e+01 1.80 2.812953767e+01 1.145776930e+01 2.422679491e+01 2.836405317e+01 2.859373190e+01 4.370379634e+00 1.166134267e+01 2.463062092e+01 4.482080181e+00 1.149018304e+01 1.82 2.613885810e+01 1.038495035e+01 2.246223702e+01 2.639451549e+01 2.664586905e+01 3.855480229e+00 1.029298624e+01 2.278714839e+01 3.877562684e+00 1.042097877e+01 1.84 2.424961099e+01 9.375480294e+00 2.072736412e+01 2.451095566e+01 2.476861322e+01 3.350301906e+00 9.066830389e+00 2.104888591e+01 3.325130577e+00 9.416904292e+00 1.86 2.245745714e+01 8.415737230e+00 1.903075582e+01 2.271159851e+01 2.296270230e+01 2.856802145e+00 7.972912971e+00 1.941546542e+01 2.805706445e+00 8.471251182e+00 1.88 2.076424963e+01 7.488961440e+00 1.738030447e+01 2.099927155e+01 2.123191536e+01 2.376694280e+00 6.991642490e+00 1.788818514e+01 2.316965718e+00 7.584209311e+00 1.90 1.917173585e+01 6.598268726e+00 1.578341109e+01 1.937678010e+01 1.958009300e+01 1.911523960e+00 6.110353621e+00 1.646771892e+01 1.858379870e+00 6.755958117e+00 1.92 1.768135893e+01 5.745653928e+00 1.424738131e+01 1.784679172e+01 1.801110489e+01 1.462823474e+00 5.329036790e+00 1.515212290e+01 1.429502514e+00 5.986545087e+00 1.94 1.629399449e+01 4.924140359e+00 1.277995339e+01 1.641167994e+01 1.652880103e+01 1.032324799e+00 4.635515666e+00 1.392490989e+01 1.026220980e+00 5.275740500e+00 1.96 1.500963859e+01 4.135188922e+00 1.138983960e+01 1.507331402e+01 1.513690392e+01 6.221984723e-01 3.993398785e+00 1.278200215e+01 6.465895271e-01 4.622880941e+00 1.98 1.382708743e+01 3.382866294e+00 1.008709534e+01 1.383279718e+01 1.383880624e+01 2.352654947e-01 3.396446445e+00 1.170616910e+01 2.912661355e-01 4.026722430e+00 2.00 1.273689309e+01 2.670998217e+00 8.883072459e+00 1.268419712e+01 1.263206866e+01 -1.248910220e-01 2.844124815e+00 1.065893529e+01 -3.910392917e-02 3.483172550e+00 2.02 1.169566656e+01 2.001648447e+00 7.789711664e+00 1.159132774e+01 1.148763694e+01 -4.539991543e-01 2.335696932e+00 9.640143116e+00 -3.439242361e-01 2.977104622e+00 2.04 1.068339001e+01 1.371852283e+00 6.806066796e+00 1.053970709e+01 1.039658922e+01 -7.474279083e-01 1.870141616e+00 8.648812260e+00 -6.226923799e-01 2.498162392e+00 2.06 9.686926020e+00 7.782687722e-01 5.927320303e+00 9.520578787e+00 9.354607278e+00 -1.000792028e+00 1.446086115e+00 7.683198662e+00 -8.750566748e-01 2.038316033e+00 2.08 8.710346021e+00 2.269749861e-01 5.159175182e+00 8.538187749e+00 8.366134327e+00 -1.210756327e+00 1.061763493e+00 6.747047687e+00 -1.100883296e+00 1.598129306e+00 2.10 7.757346694e+00 -2.753926897e-01 4.503296968e+00 7.596450188e+00 7.435357790e+00 -1.375855837e+00 7.147599615e-01 5.844144653e+00 -1.301437493e+00 1.178202214e+00 2.12 6.831385186e+00 -7.222465681e-01 3.945768427e+00 6.696963136e+00 6.562089226e+00 -1.501693029e+00 3.940723840e-01 4.978615444e+00 -1.481842704e+00 7.791882189e-01 2.14 5.935917727e+00 -1.107970497e+00 3.412600312e+00 5.829925417e+00 5.723313999e+00 -1.620576316e+00 9.215206495e-02 4.155240635e+00 -1.646415735e+00 4.018242114e-01 2.16 5.074707233e+00 -1.428979826e+00 2.891805260e+00 4.996474321e+00 4.917572293e+00 -1.737659444e+00 -1.915869282e-01 3.379698523e+00 -1.797527825e+00 4.695625639e-02 2.18 4.252157667e+00 -1.701554944e+00 2.384772166e+00 4.200653090e+00 4.148567664e+00 -1.852480656e+00 -4.576354134e-01 2.658628885e+00 -1.935822494e+00 -2.844508879e-01 2.20 3.473604978e+00 -1.942488103e+00 1.892829620e+00 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