# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In # implementation = 2009--Do-E-C--Ga-In--LAMMPS--ipr1 # composition = In # 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 2024-11-27 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 2.436311884e+02 nan nan nan nan 0.68 nan nan nan nan nan 2.316938135e+02 nan nan nan nan 0.70 nan nan nan nan nan 2.202998690e+02 nan nan 2.996778344e+02 nan 0.72 nan nan nan nan nan 2.094257856e+02 nan nan 2.837076916e+02 nan 0.74 nan nan nan nan nan 1.990489800e+02 nan nan 2.685477365e+02 nan 0.76 nan nan nan nan nan 1.891478137e+02 nan nan 2.541579329e+02 nan 0.78 nan 5.660648064e+02 nan nan nan 1.797015558e+02 2.964523837e+02 nan 2.405001896e+02 2.934627555e+02 0.80 nan 5.360810875e+02 nan nan nan 1.706903452e+02 2.816705832e+02 nan 2.275382672e+02 2.792132785e+02 0.82 nan 5.076175553e+02 nan nan nan 1.620951556e+02 2.675793310e+02 nan 2.152376892e+02 2.656098430e+02 0.84 nan 4.805994016e+02 4.312002625e+02 nan nan 1.538977613e+02 2.541476872e+02 nan 2.035656575e+02 2.526244528e+02 0.86 5.546185494e+02 4.549554113e+02 4.103400018e+02 5.546264125e+02 5.546342757e+02 1.460807047e+02 2.413460555e+02 5.323652177e+02 1.924909715e+02 2.402302834e+02 0.88 5.287401488e+02 4.306177932e+02 3.904358134e+02 5.287480116e+02 5.287558743e+02 1.386272649e+02 2.291461266e+02 5.069793562e+02 1.819839514e+02 2.284016346e+02 0.90 5.040100694e+02 4.075220189e+02 3.714454246e+02 5.040179315e+02 5.040257935e+02 1.315214274e+02 2.175208234e+02 4.827442299e+02 1.720163650e+02 2.171138842e+02 0.92 4.803791436e+02 3.856066694e+02 3.533283803e+02 4.803870046e+02 4.803948656e+02 1.247478554e+02 2.064442490e+02 4.596095079e+02 1.625613584e+02 2.063434448e+02 0.94 4.578002476e+02 3.648132882e+02 3.360459669e+02 4.578081072e+02 4.578159669e+02 1.182918618e+02 1.958916363e+02 4.375269970e+02 1.535933889e+02 1.960677209e+02 0.96 4.362282191e+02 3.450862413e+02 3.195611386e+02 4.362360770e+02 4.362439350e+02 1.121393827e+02 1.858392999e+02 4.164505529e+02 1.450881625e+02 1.862650687e+02 0.98 4.156197775e+02 3.263725844e+02 3.038384477e+02 4.156276334e+02 4.156354892e+02 1.062769519e+02 1.762645904e+02 3.963359958e+02 1.370225733e+02 1.769147573e+02 1.00 3.959334474e+02 3.086219352e+02 2.888439768e+02 3.959413009e+02 3.959491544e+02 1.006916761e+02 1.671458498e+02 3.771410284e+02 1.293746465e+02 1.679969312e+02 1.02 3.771294855e+02 2.917863523e+02 2.745452747e+02 3.771373363e+02 3.771451870e+02 9.537121141e+01 1.584623698e+02 3.588251581e+02 1.221234836e+02 1.594925743e+02 1.04 3.591698100e+02 2.758202196e+02 2.609112944e+02 3.591776576e+02 3.591855052e+02 9.030374063e+01 1.501943506e+02 3.413496219e+02 1.152492103e+02 1.513834760e+02 1.06 3.420179329e+02 2.606801362e+02 2.479123336e+02 3.420257770e+02 3.420336212e+02 8.547795167e+01 1.423228627e+02 3.246773143e+02 1.087329274e+02 1.436521973e+02 1.08 3.256388952e+02 2.463248108e+02 2.355199781e+02 3.256467355e+02 3.256545758e+02 8.088301657e+01 1.348298092e+02 3.087727187e+02 1.025566635e+02 1.362820400e+02 1.10 3.099992044e+02 2.327149618e+02 2.237070472e+02 3.100070405e+02 3.100148766e+02 7.650857152e+01 1.276978905e+02 2.936018405e+02 9.670332987e+01 1.292570155e+02 1.12 2.950667747e+02 2.198132214e+02 2.124475414e+02 2.950746062e+02 2.950824378e+02 7.234469758e+01 1.209105700e+02 2.791321443e+02 9.115667812e+01 1.225618159e+02 1.14 2.808108696e+02 2.075840451e+02 2.017165926e+02 2.808186962e+02 2.808265227e+02 6.838190231e+01 1.144520413e+02 2.653324924e+02 8.590125926e+01 1.161817859e+02 1.16 2.672020463e+02 1.959936239e+02 1.914904158e+02 2.672098676e+02 2.672176888e+02 6.461110199e+01 1.083071970e+02 2.521730866e+02 8.092238505e+01 1.101028959e+02 1.18 2.542121033e+02 1.850098024e+02 1.817462630e+02 2.542199187e+02 2.542277342e+02 6.102360469e+01 1.024615986e+02 2.396254122e+02 7.620609110e+01 1.043117158e+02 1.20 2.418140288e+02 1.746019991e+02 1.724623797e+02 2.418218381e+02 2.418296475e+02 5.761109393e+01 9.690144770e+01 2.276621841e+02 7.173910176e+01 9.879539087e+01 1.22 2.299819525e+02 1.647411315e+02 1.636179620e+02 2.299897554e+02 2.299975582e+02 5.436561305e+01 9.161355836e+01 2.162572953e+02 6.750879668e+01 9.354161713e+01 1.24 2.186910985e+02 1.553995445e+02 1.551931166e+02 2.186988944e+02 2.187066904e+02 5.127955019e+01 8.658533089e+01 2.053857672e+02 6.350317898e+01 8.853861907e+01 1.26 2.079177401e+02 1.465509417e+02 1.471688215e+02 2.079255287e+02 2.079333173e+02 4.834562390e+01 8.180472640e+01 1.950237027e+02 5.971084496e+01 8.377512744e+01 1.28 1.976391568e+02 1.381703203e+02 1.395268893e+02 1.976469377e+02 1.976547186e+02 4.555686928e+01 7.726024262e+01 1.851482400e+02 5.612095525e+01 7.924035829e+01 1.30 1.878335928e+02 1.302339092e+02 1.322499312e+02 1.878413655e+02 1.878491382e+02 4.290662479e+01 7.294089070e+01 1.757375095e+02 5.272320733e+01 7.492399276e+01 1.32 1.784802171e+02 1.227191096e+02 1.253213231e+02 1.784879813e+02 1.784957454e+02 4.038851944e+01 6.883617294e+01 1.667705919e+02 4.950780940e+01 7.081615766e+01 1.34 1.695590855e+02 1.156044387e+02 1.187251728e+02 1.695668407e+02 1.695745958e+02 3.799646068e+01 6.493606155e+01 1.582274779e+02 4.646545552e+01 6.690740690e+01 1.36 1.610511037e+02 1.088694760e+02 1.124462886e+02 1.610588494e+02 1.610665951e+02 3.572462261e+01 6.123097825e+01 1.500890298e+02 4.358730187e+01 6.318870365e+01 1.38 1.529379923e+02 1.024948117e+02 1.064701491e+02 1.529457281e+02 1.529534639e+02 3.356743481e+01 5.771177471e+01 1.423369447e+02 4.086494424e+01 5.965140320e+01 1.40 1.452022528e+02 9.646199863e+01 1.007828748e+02 1.452099783e+02 1.452177038e+02 3.151957154e+01 5.436971390e+01 1.349537190e+02 3.829039655e+01 5.628723655e+01 1.42 1.378271356e+02 9.075350493e+01 9.537120041e+01 1.378348503e+02 1.378425651e+02 2.957594141e+01 5.119645216e+01 1.279226148e+02 3.585607046e+01 5.308829464e+01 1.44 1.307966085e+02 8.535267034e+01 9.022244813e+01 1.308043121e+02 1.308120156e+02 2.773167749e+01 4.818402202e+01 1.212276270e+02 3.355475584e+01 5.004701327e+01 1.46 1.240953272e+02 8.024366374e+01 8.532450269e+01 1.241030191e+02 1.241107109e+02 2.598212777e+01 4.532481587e+01 1.148534524e+02 3.137960238e+01 4.715615853e+01 1.48 1.177086063e+02 7.541144302e+01 8.066578696e+01 1.177162860e+02 1.177239657e+02 2.432284610e+01 4.261157014e+01 1.087854598e+02 2.932410186e+01 4.440881298e+01 1.50 1.116223922e+02 7.084171671e+01 7.623523878e+01 1.116300593e+02 1.116377264e+02 2.274958339e+01 4.003735032e+01 1.030096616e+02 2.738207150e+01 4.179836224e+01 1.52 1.058232365e+02 6.652090759e+01 7.202228865e+01 1.058308905e+02 1.058385445e+02 2.125827929e+01 3.759553651e+01 9.751268558e+01 2.554763790e+01 3.931848223e+01 1.54 1.002982708e+02 6.243611784e+01 6.801683850e+01 1.003059113e+02 1.003135517e+02 1.984505409e+01 3.527980966e+01 9.228174965e+01 2.381522194e+01 3.696312690e+01 1.56 9.503518261e+01 5.857509602e+01 6.420924123e+01 9.504280902e+01 9.505043543e+01 1.850620106e+01 3.308413832e+01 8.730463590e+01 2.217952430e+01 3.472651643e+01 1.58 9.002219178e+01 5.492620551e+01 6.059028117e+01 9.002980365e+01 9.003741552e+01 1.723817908e+01 3.100276602e+01 8.256966673e+01 2.063551171e+01 3.260312601e+01 1.60 8.524802839e+01 5.147839448e+01 5.715115539e+01 8.525562523e+01 8.526322206e+01 1.603760549e+01 2.903019920e+01 7.806568165e+01 1.917840388e+01 3.058767495e+01 1.62 8.070191130e+01 4.822116732e+01 5.388345576e+01 8.070949259e+01 8.071707389e+01 1.490124935e+01 2.716119554e+01 7.378201509e+01 1.780366102e+01 2.867511634e+01 1.64 7.637352757e+01 4.514455740e+01 5.077915176e+01 7.638109281e+01 7.638865806e+01 1.382602494e+01 2.539075298e+01 6.970847515e+01 1.650697206e+01 2.686062709e+01 1.66 7.225301281e+01 4.223910116e+01 4.783057407e+01 7.226056150e+01 7.226811018e+01 1.280898547e+01 2.371409901e+01 6.583532323e+01 1.528424330e+01 2.513959840e+01 1.68 6.833093231e+01 3.949581340e+01 4.503039881e+01 6.833846391e+01 6.834599551e+01 1.184731716e+01 2.212668057e+01 6.215325450e+01 1.413158774e+01 2.350762661e+01 1.70 6.459826285e+01 3.690616381e+01 4.237163247e+01 6.460577684e+01 6.461329083e+01 1.093833345e+01 2.062415433e+01 5.865337919e+01 1.304531486e+01 2.196050442e+01 1.72 6.104637540e+01 3.446205454e+01 3.984759749e+01 6.105387124e+01 6.106136709e+01 1.007946956e+01 1.920237734e+01 5.532720470e+01 1.202192093e+01 2.049421252e+01 1.74 5.766701840e+01 3.215579898e+01 3.745191841e+01 5.767449557e+01 5.768197274e+01 9.268277183e+00 1.785739820e+01 5.216661841e+01 1.105807972e+01 1.910491147e+01 1.76 5.445230185e+01 2.998010139e+01 3.517850868e+01 5.445975979e+01 5.446721774e+01 8.502419471e+00 1.658544847e+01 4.916387126e+01 1.015063380e+01 1.778893406e+01 1.78 5.139468193e+01 2.792803768e+01 3.302155796e+01 5.140212010e+01 5.140955826e+01 7.779666175e+00 1.538293458e+01 4.631156195e+01 9.296586107e+00 1.654277782e+01 1.80 4.848694635e+01 2.599303696e+01 3.097552001e+01 4.849436418e+01 4.850178201e+01 7.097889028e+00 1.424642998e+01 4.360262190e+01 8.493092025e+00 1.536309800e+01 1.82 4.572220023e+01 2.416886411e+01 2.903510108e+01 4.572959717e+01 4.573699410e+01 6.455057297e+00 1.317266773e+01 4.103030078e+01 7.737451827e+00 1.424670071e+01 1.84 4.309385265e+01 2.244960310e+01 2.719524881e+01 4.310122812e+01 4.310860359e+01 5.849233540e+00 1.215853331e+01 3.858815263e+01 7.027103470e+00 1.319053647e+01 1.86 4.059560365e+01 2.082964117e+01 2.545114155e+01 4.060295708e+01 4.061031051e+01 5.278569521e+00 1.120105783e+01 3.627002265e+01 6.359615753e+00 1.219169389e+01 1.88 3.822143188e+01 1.930365374e+01 2.379817826e+01 3.822876268e+01 3.823609348e+01 4.741302314e+00 1.029741149e+01 3.407003448e+01 5.732681811e+00 1.124739373e+01 1.90 3.596558263e+01 1.786659007e+01 2.223196867e+01 3.597289022e+01 3.598019780e+01 4.235750562e+00 9.444897335e+00 3.198257804e+01 5.144112924e+00 1.035498316e+01 1.92 3.382255649e+01 1.651365963e+01 2.074832405e+01 3.382984027e+01 3.383712405e+01 3.760310894e+00 8.640945246e+00 3.000229786e+01 4.591832623e+00 9.511930287e+00 1.94 3.178709841e+01 1.524031907e+01 1.934324820e+01 3.179435778e+01 3.180161714e+01 3.313454497e+00 7.883106266e+00 2.812408198e+01 4.073871099e+00 8.715818835e+00 1.96 2.985418720e+01 1.404225992e+01 1.801292898e+01 2.986142154e+01 2.986865588e+01 2.893723829e+00 7.169047111e+00 2.634305122e+01 3.588359869e+00 7.964343154e+00 1.98 2.801902549e+01 1.291539678e+01 1.675373010e+01 2.802623419e+01 2.803344290e+01 2.499729474e+00 6.496544948e+00 2.465454897e+01 3.133526719e+00 7.255303371e+00 2.00 2.627703014e+01 1.185585618e+01 1.556218330e+01 2.628421258e+01 2.629139503e+01 2.130147128e+00 5.863482390e+00 2.305413144e+01 2.707690879e+00 6.586600762e+00 2.02 2.462382298e+01 1.085996592e+01 1.443498089e+01 2.463097854e+01 2.463813409e+01 1.783714713e+00 5.267842720e+00 2.153755824e+01 2.309258453e+00 5.956233320e+00 2.04 2.305522202e+01 9.924244964e+00 1.336896857e+01 2.306235005e+01 2.306947808e+01 1.459229618e+00 4.707705315e+00 2.010078340e+01 1.936718053e+00 5.362291514e+00 2.06 2.156723294e+01 9.045393810e+00 1.236113858e+01 2.157433280e+01 2.158143266e+01 1.155546049e+00 4.181241281e+00 1.873994683e+01 1.588636668e+00 4.802954219e+00 2.08 2.015604097e+01 8.220285342e+00 1.140862317e+01 2.016311201e+01 2.017018305e+01 8.715725007e-01 3.686709264e+00 1.745136609e+01 1.263655721e+00 4.276484822e+00 2.10 1.881800317e+01 7.445956125e+00 1.050868831e+01 1.882504473e+01 1.883208629e+01 6.062693309e-01 3.222451466e+00 1.623152849e+01 9.604873270e-01 3.781227495e+00 2.12 1.754964094e+01 6.719598131e+00 9.658727710e+00 1.755665236e+01 1.756366377e+01 3.586464399e-01 2.786889814e+00 1.507708355e+01 6.779107343e-01 3.315603625e+00 2.14 1.634763288e+01 6.038550866e+00 8.856257062e+00 1.635461348e+01 1.636159409e+01 1.277610493e-01 2.378522319e+00 1.398483587e+01 4.147689403e-01 2.878108393e+00 2.16 1.520880800e+01 5.400293891e+00 8.098908576e+00 1.521575710e+01 1.522270621e+01 -8.728442298e-02 1.995919578e+00 1.295173815e+01 1.699654753e-01 2.467307500e+00 2.18 1.413013911e+01 4.802439704e+00 7.384425725e+00 1.413705603e+01 1.414397295e+01 -2.873443987e-01 1.637721445e+00 1.197488460e+01 -5.753865569e-02 2.081834035e+00 2.20 1.310873660e+01 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