# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--V # implementation = 2001--Lee-B-J--V--LAMMPS--ipr1 # composition = V # 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 1.218409712e+02 nan nan nan nan 0.64 nan nan nan nan nan 1.153033192e+02 nan nan nan nan 0.66 nan nan nan nan nan 1.090766961e+02 nan nan 1.916992748e+02 nan 0.68 nan nan nan nan nan 1.031469810e+02 nan nan 1.805023384e+02 nan 0.70 nan nan nan nan nan 9.750069074e+01 nan nan 1.698999086e+02 nan 0.72 nan 3.749157136e+02 nan nan nan 9.212495054e+01 nan nan 1.598617406e+02 2.052927037e+02 0.74 nan 3.542597740e+02 nan nan nan 8.700746559e+01 2.632568729e+02 nan 1.503590991e+02 1.942968397e+02 0.76 nan 3.346448736e+02 nan nan nan 8.213649441e+01 2.487833662e+02 nan 1.413646841e+02 1.838355679e+02 0.78 nan 3.160212595e+02 3.722355419e+02 nan nan 7.750082331e+01 2.350361306e+02 nan 1.328525594e+02 1.738840426e+02 0.80 nan 2.983414719e+02 3.533099718e+02 nan 3.467865930e+02 7.308974219e+01 2.219803845e+02 3.338482953e+02 1.247980847e+02 1.644185494e+02 0.82 3.299356105e+02 2.815602420e+02 3.352646441e+02 3.299326479e+02 3.299296853e+02 6.889302142e+01 2.095829699e+02 3.172321797e+02 1.171778520e+02 1.554164545e+02 0.84 3.138245544e+02 2.656343933e+02 3.180607173e+02 3.138215527e+02 3.138185510e+02 6.490088988e+01 1.978122772e+02 3.013678739e+02 1.099696238e+02 1.468561557e+02 0.86 2.984280957e+02 2.505227475e+02 3.016610042e+02 2.984250545e+02 2.984220134e+02 6.110401402e+01 1.866381745e+02 2.862232456e+02 1.031522755e+02 1.387170356e+02 0.88 2.837163115e+02 2.361860345e+02 2.860299039e+02 2.837132306e+02 2.837101498e+02 5.749347799e+01 1.760319391e+02 2.717674844e+02 9.670574016e+01 1.309794175e+02 0.90 2.696604841e+02 2.225868068e+02 2.711333350e+02 2.696573632e+02 2.696542424e+02 5.406076463e+01 1.659661929e+02 2.579710480e+02 9.061095568e+01 1.236245220e+02 0.92 2.562330536e+02 2.096893568e+02 2.569386733e+02 2.562298924e+02 2.562267313e+02 5.079773738e+01 1.564148405e+02 2.448056120e+02 8.484981535e+01 1.166344273e+02 0.94 2.434075725e+02 1.974596388e+02 2.434146908e+02 2.434043708e+02 2.434011691e+02 4.769662314e+01 1.473530099e+02 2.322440213e+02 7.940512021e+01 1.099920298e+02 0.96 2.311586624e+02 1.858651932e+02 2.305314973e+02 2.311554198e+02 2.311521773e+02 4.474999578e+01 1.387569961e+02 2.202602427e+02 7.426053414e+01 1.036810073e+02 0.98 2.194619716e+02 1.748750754e+02 2.182604851e+02 2.194586880e+02 2.194554043e+02 4.195076059e+01 1.306042073e+02 2.088293202e+02 6.940054093e+01 9.768578365e+01 1.00 2.082941353e+02 1.644597868e+02 2.065742752e+02 2.082908104e+02 2.082874854e+02 3.929213930e+01 1.228731137e+02 1.979273319e+02 6.481040368e+01 9.199149495e+01 1.02 1.976327365e+02 1.545912092e+02 1.954466659e+02 1.976293699e+02 1.976260034e+02 3.676765595e+01 1.155431980e+02 1.875313482e+02 6.047612605e+01 8.658395732e+01 1.04 1.874562687e+02 1.452425423e+02 1.848525840e+02 1.874528603e+02 1.874494519e+02 3.437112332e+01 1.085949093e+02 1.776193918e+02 5.638441553e+01 8.144963616e+01 1.06 1.777441003e+02 1.363882437e+02 1.747680371e+02 1.777406498e+02 1.777371993e+02 3.209663000e+01 1.020096176e+02 1.681703995e+02 5.252264848e+01 7.657561673e+01 1.08 1.684764396e+02 1.280039716e+02 1.651700684e+02 1.684729469e+02 1.684694541e+02 2.993852811e+01 9.576957188e+01 1.591641856e+02 4.887883692e+01 7.194957612e+01 1.10 1.596343025e+02 1.200665301e+02 1.560367136e+02 1.596307672e+02 1.596272320e+02 2.789142154e+01 8.985785920e+01 1.505814059e+02 4.544159694e+01 6.755975645e+01 1.12 1.511994796e+02 1.125538171e+02 1.473469588e+02 1.511959017e+02 1.511923237e+02 2.595015472e+01 8.425836578e+01 1.424035242e+02 4.220011873e+01 6.339493930e+01 1.14 1.431545064e+02 1.054447742e+02 1.390807010e+02 1.431508856e+02 1.431472648e+02 2.410980198e+01 7.895574011e+01 1.346127793e+02 3.914413802e+01 5.944442126e+01 1.16 1.354826334e+02 9.871933896e+01 1.312187094e+02 1.354789695e+02 1.354753057e+02 2.236565733e+01 7.393535760e+01 1.271921539e+02 3.626390895e+01 5.569799067e+01 1.18 1.281677977e+02 9.235839943e+01 1.237425888e+02 1.281640907e+02 1.281603836e+02 2.071322469e+01 6.918328684e+01 1.201253442e+02 3.355017837e+01 5.214590528e+01 1.20 1.211945962e+02 8.634375044e+01 1.166347446e+02 1.211908457e+02 1.211870953e+02 1.914820865e+01 6.468625745e+01 1.133967312e+02 3.099416128e+01 4.877887106e+01 1.22 1.145482588e+02 8.065805211e+01 1.098783488e+02 1.145444649e+02 1.145406709e+02 1.766650556e+01 6.043162937e+01 1.069913528e+02 2.858751758e+01 4.558802183e+01 1.24 1.082146238e+02 7.528479003e+01 1.034573075e+02 1.082107862e+02 1.082069487e+02 1.626419509e+01 5.640736362e+01 1.008948768e+02 2.632232990e+01 4.256489995e+01 1.26 1.021801134e+02 7.020823734e+01 9.735623028e+01 1.021762321e+02 1.021723508e+02 1.493753214e+01 5.260199433e+01 9.509357573e+01 2.419108263e+01 3.970143772e+01 1.28 9.643171039e+01 6.541341840e+01 9.156039998e+01 9.642778524e+01 9.642386009e+01 1.368293909e+01 4.900460205e+01 8.957430200e+01 2.218664186e+01 3.698993980e+01 1.30 9.095693598e+01 6.088607421e+01 8.605574448e+01 9.095296693e+01 9.094899788e+01 1.249699848e+01 4.560478840e+01 8.432446417e+01 2.030223641e+01 3.442306625e+01 1.32 8.574382823e+01 5.661262929e+01 8.082880923e+01 8.573981522e+01 8.573580220e+01 1.137644591e+01 4.239265172e+01 7.933200436e+01 1.853143975e+01 3.199381648e+01 1.34 8.078092136e+01 5.258016008e+01 7.586673102e+01 8.077686434e+01 8.077280731e+01 1.031816337e+01 3.935876397e+01 7.458537636e+01 1.686815284e+01 2.969551380e+01 1.36 7.605722593e+01 4.877636477e+01 7.115721290e+01 7.605312488e+01 7.604902383e+01 9.319172753e+00 3.649414864e+01 7.007352477e+01 1.530658780e+01 2.752179080e+01 1.38 7.156220976e+01 4.518953452e+01 6.668850002e+01 7.155806468e+01 7.155391959e+01 8.376629774e+00 3.379025966e+01 6.578586481e+01 1.384125238e+01 2.546657522e+01 1.40 6.728577961e+01 4.180852588e+01 6.244935660e+01 6.728159051e+01 6.727740141e+01 7.487818066e+00 3.123896132e+01 6.171226305e+01 1.246693525e+01 2.352407666e+01 1.42 6.321826351e+01 3.862273455e+01 5.842904377e+01 6.321403043e+01 6.320979735e+01 6.650143586e+00 2.883250907e+01 5.784301890e+01 1.117869195e+01 2.168877369e+01 1.44 5.935039389e+01 3.562207029e+01 5.461729836e+01 5.934611688e+01 5.934183988e+01 5.861129263e+00 2.656353126e+01 5.416884677e+01 9.971831582e+00 1.995540170e+01 1.46 5.567329126e+01 3.279693298e+01 5.100431254e+01 5.566897041e+01 5.566464957e+01 5.118409869e+00 2.442501167e+01 5.068085899e+01 8.841904132e+00 1.831894119e+01 1.48 5.217844861e+01 3.013818974e+01 4.758071441e+01 5.217408403e+01 5.216971945e+01 4.419727132e+00 2.241027284e+01 4.737054946e+01 7.784688447e+00 1.677460665e+01 1.50 4.885771636e+01 2.763715307e+01 4.433754925e+01 4.885330818e+01 4.884889999e+01 3.762925057e+00 2.051296026e+01 4.422977783e+01 6.796180785e+00 1.531783591e+01 1.52 4.570328796e+01 2.528556009e+01 4.126626169e+01 4.569883633e+01 4.569438469e+01 3.145945454e+00 1.872702715e+01 4.125075448e+01 5.872583938e+00 1.394428001e+01 1.54 4.270768600e+01 2.307555256e+01 3.835867851e+01 4.270319109e+01 4.269869619e+01 2.566823664e+00 1.704672005e+01 3.842602593e+01 5.010296893e+00 1.264979345e+01 1.56 3.986374887e+01 2.099965793e+01 3.560699226e+01 3.985921091e+01 3.985467295e+01 2.023684491e+00 1.546656505e+01 3.574846095e+01 4.205905012e+00 1.143042496e+01 1.58 3.716461801e+01 1.905077125e+01 3.300374549e+01 3.716003723e+01 3.715545646e+01 1.514738236e+00 1.398135459e+01 3.321123722e+01 3.456170684e+00 1.028240865e+01 1.60 3.460372558e+01 1.722213779e+01 3.054181567e+01 3.459910226e+01 3.459447893e+01 1.038277019e+00 1.258613501e+01 3.080782848e+01 2.758024453e+00 9.202155569e+00 1.62 3.217478266e+01 1.550733663e+01 2.821440075e+01 3.217011708e+01 3.216545150e+01 5.926711908e-01 1.127619450e+01 2.853199223e+01 2.108556578e+00 8.186245613e+00 1.64 2.987176788e+01 1.390026481e+01 2.601500532e+01 2.986706039e+01 2.986235289e+01 1.763659117e-01 1.004705176e+01 2.637775790e+01 1.505009011e+00 7.231419846e+00 1.66 2.768891657e+01 1.239512238e+01 2.393742734e+01 2.768416753e+01 2.767941848e+01 -2.121221126e-01 8.894445097e+00 2.433941555e+01 9.447677781e-01 6.334573134e+00 1.68 2.562071026e+01 1.098639799e+01 2.197574541e+01 2.561592006e+01 2.561112987e+01 -5.742077570e-01 7.814322054e+00 2.241150496e+01 4.253557290e-01 5.492747126e+00 1.70 2.366186661e+01 9.668855241e+00 2.012430666e+01 2.365703570e+01 2.365220480e+01 -9.112404651e-01 6.802829514e+00 2.058880522e+01 -5.557434562e-02 4.703123542e+00 1.72 2.180732980e+01 8.437519605e+00 1.837771503e+01 2.180245866e+01 2.179758751e+01 -1.224507107e+00 5.856304272e+00 1.886632470e+01 -5.002462609e-01 3.963017773e+00 1.74 2.005226122e+01 7.287665980e+00 1.673082014e+01 2.004735035e+01 2.004243949e+01 -1.515234712e+00 4.971264029e+00 1.723929143e+01 -9.107666584e-01 3.269872759e+00 1.76 1.839203056e+01 6.214806792e+00 1.517870658e+01 1.838708053e+01 1.838213050e+01 -1.784593086e+00 4.144398820e+00 1.570314391e+01 -1.289130919e+00 2.621253154e+00 1.78 1.682220731e+01 5.214680658e+00 1.371668369e+01 1.681721871e+01 1.681223011e+01 -2.033697308e+00 3.372562822e+00 1.425352225e+01 -1.637228780e+00 2.014839748e+00 1.80 1.533855247e+01 4.283241573e+00 1.234027569e+01 1.533352594e+01 1.532849941e+01 -2.263610122e+00 2.652766559e+00 1.288625967e+01 -1.956849680e+00 1.448424140e+00 1.82 1.393701072e+01 3.416648587e+00 1.104521236e+01 1.393194694e+01 1.392688317e+01 -2.475344231e+00 1.982169461e+00 1.159737439e+01 -2.249687288e+00 9.199036530e-01 1.84 1.261370282e+01 2.611255970e+00 9.827419991e+00 1.260860253e+01 1.260350225e+01 -2.669838942e+00 1.358072765e+00 1.038306182e+01 -2.517310937e+00 4.272764800e-01 1.86 1.136491836e+01 1.863603823e+00 8.683012777e+00 1.135978234e+01 1.135464633e+01 -2.846742186e+00 7.779127562e-01 9.239687022e+00 -2.761179306e+00 -3.136295373e-02 1.88 1.018710876e+01 1.170409127e+00 7.608284579e+00 1.018193784e+01 1.017676693e+01 -3.005281002e+00 2.392543154e-01 8.163777591e+00 -2.982886206e+00 -4.578284176e-01 1.90 9.076880575e+00 5.285572114e-01 6.599701016e+00 9.071675643e+00 9.066470711e+00 -3.153013186e+00 -2.602152288e-01 7.152016721e+00 -3.183501530e+00 -8.538461034e-01 1.92 8.030989061e+00 -6.490638677e-02 5.653891897e+00 8.025751050e+00 8.020513040e+00 -3.287051074e+00 -7.226919627e-01 6.201236615e+00 -3.364746253e+00 -1.221058661e+00 1.94 7.046331997e+00 -6.127836833e-01 4.767643987e+00 7.041061902e+00 7.035791806e+00 -3.408137880e+00 -1.150260977e+00 5.308412141e+00 -3.527687785e+00 -1.561029055e+00 1.96 6.119943759e+00 -1.117731645e+00 3.937894068e+00 6.114642628e+00 6.109341498e+00 -3.516981362e+00 -1.544901695e+00 4.470654753e+00 -3.673404710e+00 -1.875244242e+00 1.98 5.248989621e+00 -1.582269243e+00 3.161722302e+00 5.243658566e+00 5.238327511e+00 -3.614255278e+00 -1.908492951e+00 3.685206666e+00 -3.802351749e+00 -2.165118685e+00 2.00 4.430760299e+00 -2.008784178e+00 2.436345879e+00 4.425400492e+00 4.420040685e+00 -3.700600834e+00 -2.242817836e+00 2.949435262e+00 -3.914673224e+00 -2.431997710e+00 2.02 3.662666702e+00 -2.399539289e+00 1.759112933e+00 3.657279379e+00 3.651892057e+00 -3.776628073e+00 -2.549568309e+00 2.260827735e+00 -4.014934197e+00 -2.677160709e+00 2.04 2.942234902e+00 -2.756678336e+00 1.127496719e+00 2.936821367e+00 2.931407831e+00 -3.842917199e+00 -2.830349599e+00 1.616985950e+00 -4.102089415e+00 -2.901800650e+00 2.06 2.267101304e+00 -3.082227261e+00 5.390900426e-01 2.261662927e+00 2.256224549e+00 -3.900019852e+00 -3.086684400e+00 1.015621516e+00 -4.176922632e+00 -3.106748572e+00 2.08 1.635008009e+00 -3.378108694e+00 -8.400074429e-03 1.629546231e+00 1.624084453e+00 -3.948460322e+00 -3.320016864e+00 4.545510636e-01 -4.240250247e+00 -3.293116690e+00 2.10 1.043798366e+00 -3.646161392e+00 -5.171574995e-01 1.038314702e+00 1.032831039e+00 -3.988736721e+00 -3.531716415e+00 -6.830828388e-02 -4.292843142e+00 -3.462938080e+00 2.12 4.914127049e-01 -3.888099950e+00 -9.892618730e-01 4.859087470e-01 4.804047891e-01 -4.021322096e+00 -3.723081377e+00 -5.549432508e-01 -4.335429024e+00 -3.616564447e+00 2.14 -2.411575904e-02 -4.105556723e+00 -1.426693283e+00 -2.963834271e-02 -3.516092638e-02 -4.046665498e+00 -3.895342433e+00 -1.007248570e+00 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