# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-V # implementation = 2020--Chen-Y--W-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 2022-12-14 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 nan nan nan 2.339737283e+03 nan 0.70 nan nan nan nan nan nan nan nan 2.076936519e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.848686752e+03 nan 0.74 nan nan nan nan nan 1.423361526e+03 nan nan 1.649869043e+03 nan 0.76 nan nan nan nan nan 1.274936915e+03 nan nan 1.476409665e+03 nan 0.78 nan nan nan nan nan 1.144820812e+03 nan nan 1.324509559e+03 nan 0.80 nan nan nan nan nan 1.030342201e+03 nan nan 1.191105281e+03 nan 0.82 nan nan nan nan nan 9.291932119e+02 nan nan 1.071908312e+03 nan 0.84 nan nan nan 2.248005033e+03 2.247805721e+03 8.393606585e+02 nan nan 9.640398647e+02 1.424951774e+03 0.86 nan 1.288815656e+03 nan 2.048554358e+03 2.048617772e+03 7.594230755e+02 1.309855909e+03 nan 8.687074814e+02 1.290593514e+03 0.88 nan 1.167975227e+03 nan 1.870117913e+03 1.870423407e+03 6.882272912e+02 1.187093745e+03 nan 7.841651924e+02 1.171261190e+03 0.90 nan 1.057821804e+03 nan 1.710079089e+03 1.710532609e+03 6.247767708e+02 1.077943321e+03 nan 7.088667255e+02 1.065187813e+03 0.92 nan 9.539243424e+02 nan 1.566180471e+03 1.566629725e+03 5.680817835e+02 9.806240007e+02 nan 6.416950795e+02 9.707358115e+02 0.94 nan 8.613904431e+02 nan 1.436371332e+03 1.436751760e+03 5.172085398e+02 8.937104147e+02 nan 5.816410316e+02 8.860046980e+02 0.96 1.318962929e+03 7.788837928e+02 1.162058184e+03 1.319214268e+03 1.319456603e+03 4.714460170e+02 8.136298118e+02 1.218304182e+03 5.278527855e+02 8.097153676e+02 0.98 1.213216207e+03 7.051685945e+02 1.063389064e+03 1.213310273e+03 1.213385476e+03 4.302295137e+02 7.415161746e+02 1.115208043e+03 4.795395064e+02 7.408517849e+02 1.00 1.117378922e+03 6.391635322e+02 9.744459782e+02 1.117322636e+03 1.117241562e+03 3.930466698e+02 6.766215349e+02 1.017365322e+03 4.360125515e+02 6.785129966e+02 1.02 1.016345011e+03 5.782277155e+02 8.848240980e+02 1.016124834e+03 1.015862994e+03 3.547467355e+02 6.133726970e+02 9.244553286e+02 3.931970205e+02 6.150207596e+02 1.04 9.252459761e+02 5.234510382e+02 8.042685314e+02 9.248962024e+02 9.245132042e+02 3.203792393e+02 5.564458541e+02 8.407156152e+02 3.547403809e+02 5.578212313e+02 1.06 8.429709543e+02 4.741464082e+02 7.320663287e+02 8.426317034e+02 8.422872652e+02 2.896620115e+02 5.051299994e+02 7.651340141e+02 3.201753773e+02 5.062079041e+02 1.08 7.685053561e+02 4.298695699e+02 6.670510774e+02 7.682658269e+02 7.680385850e+02 2.621039723e+02 4.587367052e+02 6.968692752e+02 2.890530887e+02 4.595289879e+02 1.10 7.010756166e+02 3.900781159e+02 6.083798048e+02 7.009717089e+02 7.008815501e+02 2.373691279e+02 4.167238815e+02 6.351998801e+02 2.609974337e+02 4.172871114e+02 1.12 6.400807699e+02 3.542965842e+02 5.553388726e+02 6.400987458e+02 6.401277853e+02 2.151443439e+02 3.786036229e+02 5.795478524e+02 2.357292937e+02 3.791239848e+02 1.14 5.849429595e+02 3.220583669e+02 5.072972723e+02 5.850499014e+02 5.851673721e+02 1.951421780e+02 3.439954093e+02 5.292730217e+02 2.129846756e+02 3.446608285e+02 1.16 5.351157534e+02 2.929226856e+02 4.637149777e+02 5.352803175e+02 5.354537223e+02 1.771225349e+02 3.125862901e+02 4.839053230e+02 1.924779534e+02 3.134788113e+02 1.18 4.900721126e+02 2.665417937e+02 4.241181103e+02 4.902582040e+02 4.904505771e+02 1.608727372e+02 2.840920221e+02 4.427080040e+02 1.739645704e+02 2.852214187e+02 1.20 4.490731926e+02 2.425774007e+02 3.880674796e+02 4.492676136e+02 4.494651964e+02 1.461892091e+02 2.582474268e+02 4.052432242e+02 1.572281363e+02 2.595198452e+02 1.22 4.117344650e+02 2.207404697e+02 3.551604763e+02 4.119168768e+02 4.120973064e+02 1.328804399e+02 2.347953513e+02 3.711649811e+02 1.420887464e+02 2.361488796e+02 1.24 3.777142619e+02 2.007862811e+02 3.251900330e+02 3.778698289e+02 3.780179678e+02 1.208959019e+02 2.135276133e+02 3.401414753e+02 1.284354489e+02 2.149022629e+02 1.26 3.466902316e+02 1.825184572e+02 2.977695340e+02 3.467922677e+02 3.468846652e+02 1.099803144e+02 1.941601878e+02 3.118397754e+02 1.160735563e+02 1.955726453e+02 1.28 3.183529986e+02 1.657659540e+02 2.726480119e+02 3.183832918e+02 3.184054751e+02 1.000040991e+02 1.765113635e+02 2.859576820e+02 1.048493377e+02 1.779692973e+02 1.30 2.924126471e+02 1.503739145e+02 2.496586894e+02 2.923764500e+02 2.923354912e+02 9.090666064e+01 1.604286215e+02 2.622342289e+02 9.466037224e+01 1.619282780e+02 1.32 2.686064997e+02 1.362333458e+02 2.286536959e+02 2.685302086e+02 2.684523964e+02 8.263452861e+01 1.457735675e+02 2.404420514e+02 8.541532151e+01 1.472996206e+02 1.34 2.467094565e+02 1.232629505e+02 2.094522711e+02 2.466205582e+02 2.465330612e+02 7.510880203e+01 1.324061671e+02 2.203916672e+02 7.702769691e+01 1.339525671e+02 1.36 2.265383616e+02 1.113890106e+02 1.918584283e+02 2.264544727e+02 2.263743537e+02 6.823792289e+01 1.202006993e+02 2.019253846e+02 6.945887395e+01 1.217758175e+02 1.38 2.079298071e+02 1.005241502e+02 1.756929206e+02 2.078626462e+02 2.078000376e+02 6.193869334e+01 1.091098372e+02 1.848928895e+02 6.255824523e+01 1.106634949e+02 1.40 1.907337071e+02 9.057988054e+01 1.608105871e+02 1.906952850e+02 1.906609976e+02 5.614539329e+01 9.898692757e+01 1.691974359e+02 5.626497766e+01 1.005130495e+02 1.42 1.748673555e+02 8.147492088e+01 1.470834739e+02 1.748666632e+02 1.748688310e+02 5.079866343e+01 8.971619941e+01 1.547712398e+02 5.051847450e+01 9.128021763e+01 1.44 1.602785746e+02 7.314190915e+01 1.343986970e+02 1.603145135e+02 1.603518850e+02 4.584582010e+01 8.122413511e+01 1.415415067e+02 4.525930937e+01 8.292107359e+01 1.46 1.468573453e+02 6.551919084e+01 1.226507670e+02 1.469169341e+02 1.469771378e+02 4.124424534e+01 7.344193674e+01 1.293773548e+02 4.043519536e+01 7.527199016e+01 1.48 1.345100902e+02 5.854405278e+01 1.117466427e+02 1.345765872e+02 1.346432633e+02 3.696929715e+01 6.630563424e+01 1.181791374e+02 3.602015818e+01 6.827205726e+01 1.50 1.231307267e+02 5.215631277e+01 1.016305284e+02 1.231918977e+02 1.232526707e+02 3.300509845e+01 5.976305303e+01 1.078557460e+02 3.198575141e+01 6.185860289e+01 1.52 1.126235872e+02 4.630345342e+01 9.226949069e+01 1.126731094e+02 1.127213155e+02 2.935076909e+01 5.376800518e+01 9.833250283e+01 2.830391986e+01 5.597509352e+01 1.54 1.029175217e+02 4.094253860e+01 8.363330291e+01 1.029524858e+02 1.029853140e+02 2.600670174e+01 4.827594070e+01 8.954211308e+01 2.494860674e+01 5.057356509e+01 1.56 9.395375613e+01 3.603505381e+01 7.568106284e+01 9.397297431e+01 9.398969144e+01 2.296050685e+01 4.323901024e+01 8.142128877e+01 2.189153531e+01 4.561102361e+01 1.58 8.567353132e+01 3.156583972e+01 6.836034157e+01 8.567694996e+01 8.567795347e+01 2.018552459e+01 3.860898153e+01 7.390673872e+01 1.910355263e+01 4.104467939e+01 1.60 7.800915197e+01 2.752692986e+01 6.161952262e+01 7.799851157e+01 7.798599101e+01 1.765462316e+01 3.435504269e+01 6.694019027e+01 1.655899537e+01 3.683324408e+01 1.62 7.089366708e+01 2.388865609e+01 5.541379518e+01 7.087265545e+01 7.085072310e+01 1.534634811e+01 3.049830133e+01 6.046994701e+01 1.423600253e+01 3.295169048e+01 1.64 6.427010034e+01 2.064151450e+01 4.970784355e+01 6.424390677e+01 6.421798927e+01 1.324731900e+01 2.696182972e+01 5.446038197e+01 1.214118330e+01 2.936091562e+01 1.66 5.810295402e+01 1.776094166e+01 4.446835470e+01 5.807638299e+01 5.805114668e+01 1.134490239e+01 2.372090141e+01 4.888430648e+01 1.024754348e+01 2.603424134e+01 1.68 5.236367105e+01 1.517988566e+01 3.966082987e+01 5.234065286e+01 5.231950866e+01 9.624047884e+00 2.075918637e+01 4.371853967e+01 8.539985158e+00 2.295239884e+01 1.70 4.702647733e+01 1.287517282e+01 3.524828148e+01 4.700933166e+01 4.699404349e+01 8.066185933e+00 1.806275287e+01 3.893905996e+01 7.006401461e+00 2.009792436e+01 1.72 4.206974535e+01 1.082386639e+01 3.121308202e+01 4.205917749e+01 4.205003099e+01 6.653229460e+00 1.561807939e+01 3.452284885e+01 5.627955301e+00 1.745844291e+01 1.74 3.747874392e+01 9.003830378e+00 2.756161230e+01 3.747405808e+01 3.747021953e+01 5.370233731e+00 1.340686869e+01 3.047060931e+01 4.386641350e+00 1.503178473e+01 1.76 3.324145618e+01 7.393611017e+00 2.426496531e+01 3.324128869e+01 3.324150662e+01 4.208121715e+00 1.140727805e+01 2.677665456e+01 3.268291708e+00 1.281731922e+01 1.78 2.936605749e+01 5.972591789e+00 2.126305288e+01 2.936912591e+01 2.937222175e+01 3.159095505e+00 9.598183546e+00 2.342133508e+01 2.263278514e+00 1.081340641e+01 1.80 2.583655971e+01 4.748735250e+00 1.853534547e+01 2.584192288e+01 2.584701227e+01 2.216172708e+00 7.960775998e+00 2.038296867e+01 1.363542356e+00 9.008115217e+00 1.82 2.262762255e+01 3.683617105e+00 1.606308379e+01 2.263452599e+01 2.264098068e+01 1.373381766e+00 6.481146808e+00 1.763821317e+01 5.612451423e-01 7.382466791e+00 1.84 1.971541302e+01 2.735265333e+00 1.382878672e+01 1.972311478e+01 1.973033729e+01 6.251534575e-01 5.146630348e+00 1.516398134e+01 -1.526597048e-01 5.918374677e+00 1.86 1.707743499e+01 1.889155942e+00 1.181521240e+01 1.708528248e+01 1.709270655e+01 -3.434919727e-02 3.945084057e+00 1.293840776e+01 -7.878869362e-01 4.599971634e+00 1.88 1.469499026e+01 1.131430918e+00 1.000436811e+01 1.470227851e+01 1.470926879e+01 -6.119473571e-01 2.864407009e+00 1.094220936e+01 -1.354230760e+00 3.417806134e+00 1.90 1.255086414e+01 4.496843384e-01 8.378792997e+00 1.255684926e+01 1.256268823e+01 -1.114196507e+00 1.903532504e+00 9.157882869e+00 -1.859130682e+00 2.364005434e+00 1.92 1.062834827e+01 -1.653820778e-01 6.922830371e+00 1.063258668e+01 1.063677752e+01 -1.546802440e+00 1.039893384e+00 7.569328999e+00 -2.306853507e+00 1.430627422e+00 1.94 8.909895773e+00 -7.219871575e-01 5.621289066e+00 8.912295218e+00 8.914676231e+00 -1.915396789e+00 2.600313513e-01 6.160271572e+00 -2.701156877e+00 6.073938887e-01 1.96 7.377272990e+00 -1.227210504e+00 4.459390197e+00 7.378033176e+00 7.378772446e+00 -2.225530492e+00 -4.395855914e-01 4.970608398e+00 -3.045479627e+00 -1.179569892e-01 1.98 6.012848189e+00 -1.686654883e+00 3.423010179e+00 6.012405078e+00 6.011938672e+00 -2.482548566e+00 -1.061614088e+00 3.910005321e+00 -3.342281799e+00 -7.574192883e-01 2.00 4.801380004e+00 -2.103112871e+00 2.499049379e+00 4.800300307e+00 4.799201258e+00 -2.691391167e+00 -1.608472553e+00 2.965375082e+00 -3.593083530e+00 -1.321297537e+00 2.02 3.812314391e+00 -2.468185697e+00 1.730555984e+00 3.811174995e+00 3.810024341e+00 -2.829731229e+00 -2.056005519e+00 2.153564327e+00 -3.778907859e+00 -1.774854288e+00 2.04 2.924099570e+00 -2.796937175e+00 1.034639588e+00 2.923386579e+00 2.922669460e+00 -2.939242598e+00 -2.446997687e+00 1.428264594e+00 -3.929015999e+00 -2.178152204e+00 2.06 2.127788020e+00 -3.091106789e+00 4.038083345e-01 2.127825138e+00 2.127861570e+00 -3.024083387e+00 -2.787493086e+00 7.808215342e-01 -4.046086925e+00 -2.534913192e+00 2.08 1.414919153e+00 -3.355857320e+00 -1.687814283e-01 1.415882091e+00 1.416845029e+00 -3.088177928e+00 -3.083738683e+00 2.029936384e-01 -4.134480289e+00 -2.848613286e+00 2.10 7.772402178e-01 -3.595826880e+00 -6.889109399e-01 7.791969577e-01 7.811536975e-01 -3.135294779e+00 -3.341896445e+00 -3.127255881e-01 -4.198738604e+00 -3.122745084e+00 2.12 2.075811536e-01 -3.815220151e+00 -1.159549303e+00 2.104900331e-01 2.133989127e-01 -3.168626721e+00 -3.566288965e+00 -7.734610363e-01 -4.243374874e+00 -3.360407476e+00 2.14 -3.007627323e-01 -4.017796939e+00 -1.582819045e+00 -2.970301946e-01 -2.932976568e-01 -3.190993157e+00 -3.760681943e+00 -1.186058390e+00 -4.272122523e+00 -3.564475028e+00 2.16 -7.545555461e-01 -4.204610682e+00 -1.960709895e+00 -7.502170822e-01 -7.458786183e-01 -3.205038244e+00 -3.928744416e+00 -1.557275315e+00 -4.287453392e+00 -3.738347113e+00 2.18 -1.160558206e+00 -4.374448175e+00 -2.295451403e+00 -1.155868742e+00 -1.151179279e+00 -3.213180517e+00 -4.074016166e+00 -1.893604147e+00 -4.291492636e+00 -3.885621295e+00 2.20 -1.525317666e+00 -4.525392400e+00 -2.592370618e+00 -1.520528757e+00 -1.515739847e+00 -3.217605430e+00 -4.200152751e+00 -2.201267691e+00 -4.286193712e+00 -4.009774682e+00 2.22 -1.855144695e+00 -4.655613135e+00 -2.858248630e+00 -1.850488301e+00 -1.845831907e+00 -3.220221410e+00 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