# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Ko-W-S-Jeon-J-B--Pd-Ti # implementation = 2018--Ko-W-S--Pd-Ti--LAMMPS--ipr1 # composition = Pd # 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 2026-08-31 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 7.332520829e+02 nan nan nan nan 0.74 nan nan nan nan nan 6.758732882e+02 nan nan 9.029906230e+02 nan 0.76 nan nan nan nan nan 6.231014298e+02 nan nan 8.343542017e+02 nan 0.78 nan nan nan nan nan 5.745555255e+02 nan nan 7.708574948e+02 nan 0.80 nan nan nan nan nan 5.298865442e+02 nan nan 7.121173782e+02 nan 0.82 nan 7.533206303e+02 nan nan nan 4.887747441e+02 nan nan 6.577790906e+02 9.250902339e+02 0.84 nan 7.038938619e+02 nan nan nan 4.509272281e+02 7.803160027e+02 nan 6.075141634e+02 8.600714992e+02 0.86 nan 6.575380962e+02 nan nan nan 4.160756989e+02 7.276017820e+02 nan 5.610184994e+02 7.995339225e+02 0.88 nan 6.140689847e+02 nan nan nan 3.839743967e+02 6.783139234e+02 nan 5.180105889e+02 7.431706187e+02 0.90 nan 5.733130142e+02 7.556452886e+02 nan nan 3.543982065e+02 6.322347231e+02 nan 4.782298531e+02 6.906955816e+02 0.92 8.046715972e+02 5.351068748e+02 7.096810718e+02 8.055899954e+02 8.065083835e+02 3.271409206e+02 5.891600506e+02 7.579776276e+02 4.414351072e+02 6.418422813e+02 0.94 7.563648860e+02 4.992968653e+02 6.663641685e+02 7.572038272e+02 7.580427582e+02 3.020136445e+02 5.488985188e+02 7.115253427e+02 4.074031335e+02 5.963623558e+02 0.96 7.108210649e+02 4.657383322e+02 6.255472851e+02 7.115872361e+02 7.123533967e+02 2.788433344e+02 5.112707045e+02 6.677811608e+02 3.759273572e+02 5.540243871e+02 0.98 6.678865817e+02 4.342951432e+02 5.870911453e+02 6.685861253e+02 6.692856581e+02 2.574714564e+02 4.761084154e+02 6.265918113e+02 3.468166179e+02 5.146127592e+02 1.00 6.274162598e+02 4.048391906e+02 5.508640581e+02 6.280548165e+02 6.286933624e+02 2.377527569e+02 4.432540012e+02 5.878125334e+02 3.198940296e+02 4.779265911e+02 1.02 5.892728473e+02 3.772499234e+02 5.167415093e+02 5.898555959e+02 5.904383335e+02 2.195541360e+02 4.125597058e+02 5.513066095e+02 2.949959241e+02 4.437787400e+02 1.04 5.533265905e+02 3.514139084e+02 4.846057746e+02 5.538582840e+02 5.543899662e+02 2.027536153e+02 3.838870590e+02 5.169449243e+02 2.719708698e+02 4.119948715e+02 1.06 5.194548296e+02 3.272244148e+02 4.543455535e+02 5.199398290e+02 5.204248169e+02 1.872393921e+02 3.571063043e+02 4.846055477e+02 2.506787631e+02 3.824125907e+02 1.08 4.875416162e+02 3.045810248e+02 4.258556240e+02 4.879839217e+02 4.884262156e+02 1.729089740e+02 3.320958611e+02 4.541733408e+02 2.309899854e+02 3.548806310e+02 1.10 4.574773510e+02 2.833892659e+02 3.990365144e+02 4.578806311e+02 4.582838994e+02 1.596683863e+02 3.087418196e+02 4.255395821e+02 2.127846223e+02 3.292580978e+02 1.12 4.291584413e+02 2.635602652e+02 3.737941939e+02 4.295260591e+02 4.298936648e+02 1.474314466e+02 2.869374661e+02 3.986016159e+02 1.959517392e+02 3.054137618e+02 1.14 4.024869764e+02 2.450104233e+02 3.500397793e+02 4.028220142e+02 4.031570397e+02 1.361191012e+02 2.665828369e+02 3.732625182e+02 1.803887111e+02 2.832253998e+02 1.16 3.773704203e+02 2.276611073e+02 3.276892580e+02 3.776757025e+02 3.779809722e+02 1.256588185e+02 2.475842992e+02 3.494307814e+02 1.660006010e+02 2.625791803e+02 1.18 3.537213212e+02 2.114383622e+02 3.066632251e+02 3.539994350e+02 3.542775360e+02 1.159840333e+02 2.298541574e+02 3.270200165e+02 1.526995847e+02 2.433690892e+02 1.20 3.314570364e+02 1.962726379e+02 2.868866356e+02 3.317103511e+02 3.319636529e+02 1.070336397e+02 2.133102836e+02 3.059486707e+02 1.404044177e+02 2.254963956e+02 1.22 3.104994714e+02 1.820985331e+02 2.682885692e+02 3.107301565e+02 3.109608284e+02 9.875152700e+01 1.978757700e+02 2.861397614e+02 1.290399422e+02 2.088691523e+02 1.24 2.907748341e+02 1.688545533e+02 2.508020077e+02 2.909848752e+02 2.911949030e+02 9.108615565e+01 1.834786032e+02 2.675206238e+02 1.185366301e+02 1.934017309e+02 1.26 2.722134011e+02 1.564828829e+02 2.343636251e+02 2.724046154e+02 2.725958161e+02 8.399016953e+01 1.700513575e+02 2.500226728e+02 1.088301606e+02 1.790143882e+02 1.28 2.547492969e+02 1.449291711e+02 2.189135880e+02 2.549233469e+02 2.550973831e+02 7.742004192e+01 1.575309080e+02 2.335811777e+02 9.986102875e+01 1.656328619e+02 1.30 2.383202851e+02 1.341423287e+02 2.043953673e+02 2.384786915e+02 2.386370839e+02 7.133575183e+01 1.458581605e+02 2.181350491e+02 9.157418374e+01 1.531879940e+02 1.32 2.228675707e+02 1.240743384e+02 1.907555598e+02 2.230117242e+02 2.231558634e+02 6.570048836e+01 1.349777981e+02 2.036266379e+02 8.391869399e+01 1.416153794e+02 1.34 2.083356132e+02 1.146800747e+02 1.779437193e+02 2.084667851e+02 2.085979424e+02 6.048038059e+01 1.248380440e+02 1.900015447e+02 7.684743736e+01 1.308550395e+02 1.36 1.946719489e+02 1.059171346e+02 1.659121965e+02 1.947913012e+02 1.949106388e+02 5.564425079e+01 1.153904378e+02 1.772084400e+02 7.031681468e+01 1.208511167e+02 1.38 1.818270240e+02 9.774567802e+01 1.546159881e+02 1.819356188e+02 1.820441985e+02 5.116338900e+01 1.065896269e+02 1.651988938e+02 6.428648478e+01 1.115515912e+02 1.40 1.697540360e+02 9.012827780e+01 1.440125936e+02 1.698528434e+02 1.699516356e+02 4.701134702e+01 9.839316989e+01 1.539272154e+02 5.871911939e+01 1.029080160e+02 1.42 1.584087833e+02 8.302977751e+01 1.340618793e+02 1.584986896e+02 1.585885804e+02 4.316375026e+01 9.076135248e+01 1.433503008e+02 5.358017666e+01 9.487527127e+01 1.44 1.477495237e+02 7.641715811e+01 1.247259500e+02 1.478313383e+02 1.479131372e+02 3.959812579e+01 8.365701481e+01 1.334274896e+02 4.883769153e+01 8.741133447e+01 1.46 1.377368400e+02 7.025941206e+01 1.159690282e+02 1.378113019e+02 1.378857477e+02 3.629374267e+01 7.704538954e+01 1.241204287e+02 4.446208212e+01 8.047706724e+01 1.48 1.283335129e+02 6.452742463e+01 1.077573381e+02 1.284012966e+02 1.284690640e+02 3.323147749e+01 7.089394997e+01 1.153929444e+02 4.042597059e+01 7.403601640e+01 1.50 1.195044007e+02 5.919386213e+01 1.000589973e+02 1.195661219e+02 1.196278265e+02 3.039367234e+01 6.517226775e+01 1.072109207e+02 3.670401763e+01 6.805422887e+01 1.52 1.112163259e+02 5.423306658e+01 9.284391381e+01 1.112725464e+02 1.113287500e+02 2.776401781e+01 5.985187936e+01 9.954218506e+01 3.327276937e+01 6.250007937e+01 1.54 1.034379675e+02 4.962095637e+01 8.608368799e+01 1.034891998e+02 1.035404149e+02 2.532744587e+01 5.490616102e+01 9.235639963e+01 3.011051594e+01 5.734410999e+01 1.56 9.613975896e+01 4.533493272e+01 7.975152063e+01 9.618647054e+01 9.623316467e+01 2.307002815e+01 5.031021150e+01 8.562495921e+01 2.719716066e+01 5.255888083e+01 1.58 8.929379243e+01 4.135379158e+01 7.382212534e+01 8.933640962e+01 8.937900907e+01 2.097888420e+01 4.604074219e+01 7.932089430e+01 2.451409914e+01 4.811883109e+01 1.60 8.287372735e+01 3.765764052e+01 6.827164579e+01 8.291263884e+01 8.295153230e+01 1.904209746e+01 4.207597412e+01 7.341877970e+01 2.204410758e+01 4.400014957e+01 1.62 7.685470442e+01 3.422782050e+01 6.307757741e+01 7.689026455e+01 7.692580637e+01 1.724863846e+01 3.839554157e+01 6.789464807e+01 1.977123939e+01 4.018065432e+01 1.64 7.121326414e+01 3.104683218e+01 5.821869320e+01 7.124579587e+01 7.127830898e+01 1.558829441e+01 3.498040159e+01 6.272590830e+01 1.768072975e+01 3.663968055e+01 1.66 6.592726975e+01 2.809826644e+01 5.367497358e+01 6.595706737e+01 6.598684608e+01 1.405160479e+01 3.181274938e+01 5.789126839e+01 1.575890731e+01 3.335797624e+01 1.68 6.097583436e+01 2.536673904e+01 4.942753996e+01 6.100316599e+01 6.103047842e+01 1.262980232e+01 2.887593893e+01 5.337066248e+01 1.399311258e+01 3.031760514e+01 1.70 5.633925199e+01 2.283782897e+01 4.545859188e+01 5.636436189e+01 5.638945227e+01 1.131475887e+01 2.615440877e+01 4.914518202e+01 1.237162248e+01 2.750185628e+01 1.72 5.199893246e+01 2.049802046e+01 4.175134752e+01 5.202204307e+01 5.204513385e+01 1.009893584e+01 2.363361233e+01 4.519701068e+01 1.088358061e+01 2.489515998e+01 1.74 4.793733967e+01 1.833464835e+01 3.828998741e+01 4.795865355e+01 4.797994729e+01 8.975338698e+00 2.129995281e+01 4.150936292e+01 9.518932718e+00 2.248300943e+01 1.76 4.413793334e+01 1.633584668e+01 3.505960114e+01 4.415763490e+01 4.417731601e+01 7.937475268e+00 1.914072212e+01 3.806642585e+01 8.268367084e+00 2.025188791e+01 1.78 4.058511389e+01 1.449050025e+01 3.204613700e+01 4.060337100e+01 4.062160733e+01 6.979317396e+00 1.714404376e+01 3.485330437e+01 7.123259386e+00 1.818920092e+01 1.80 3.726417029e+01 1.278819902e+01 2.923635426e+01 3.728113572e+01 3.729808005e+01 6.095265796e+00 1.529881927e+01 3.185596940e+01 6.075621698e+00 1.628321306e+01 1.82 3.416123082e+01 1.121919525e+01 2.661777807e+01 3.417704356e+01 3.419283490e+01 5.280117740e+00 1.359467817e+01 2.906120888e+01 5.118055334e+00 1.452298924e+01 1.84 3.126321641e+01 9.774363070e+00 2.417865677e+01 3.127800293e+01 3.129276772e+01 4.529037357e+00 1.202193101e+01 2.645658155e+01 4.243707230e+00 1.289833997e+01 1.86 2.855779663e+01 8.445160516e+00 2.190792156e+01 2.857167195e+01 2.858552521e+01 3.837528329e+00 1.057152547e+01 2.403037328e+01 3.446229600e+00 1.139977048e+01 1.88 2.603334801e+01 7.223593750e+00 1.979514827e+01 2.604641671e+01 2.605946302e+01 3.201341020e+00 9.235005267e+00 2.177155582e+01 2.719742620e+00 1.001843322e+01 1.90 2.367891467e+01 6.102183425e+00 1.783052129e+01 2.369127183e+01 2.370360628e+01 2.616236478e+00 8.004471634e+00 1.966974783e+01 2.058799894e+00 8.746083791e+00 1.92 2.148417108e+01 5.073933035e+00 1.600479937e+01 2.149590312e+01 2.150761211e+01 2.079767591e+00 6.872547322e+00 1.771517815e+01 1.458357680e+00 7.575039808e+00 1.94 1.943938689e+01 4.132299151e+00 1.430928339e+01 1.945057232e+01 1.946173436e+01 1.587840920e+00 5.832342867e+00 1.589865098e+01 9.138156811e-01 6.498142633e+00 1.96 1.753539362e+01 3.271163413e+00 1.273578576e+01 1.754610376e+01 1.755679018e+01 1.137225295e+00 4.877425034e+00 1.421151317e+01 4.207571574e-01 5.508721745e+00 1.98 1.576355328e+01 2.484806211e+00 1.127660162e+01 1.577385288e+01 1.578412843e+01 7.250073400e-01 4.001787276e+00 1.264562319e+01 -2.485988466e-02 4.600561551e+00 2.00 1.411572859e+01 1.767881922e+00 9.924481481e+00 1.412567642e+01 1.413559986e+01 3.484726648e-01 3.199821580e+00 1.119332191e+01 -4.267039478e-01 3.767870483e+00 2.02 1.258425493e+01 1.115395638e+00 8.672605471e+00 1.259390430e+01 1.260352896e+01 5.091810257e-03 2.466289951e+00 9.847404984e+00 -7.882138127e-01 3.005252210e+00 2.04 1.116191380e+01 5.226812894e-01 7.514558939e+00 1.117131304e+01 1.118068723e+01 -3.074927465e-01 1.796315232e+00 8.601096813e+00 -1.112574256e+00 2.307678831e+00 2.06 9.841907679e+00 -1.461892297e-02 6.444309409e+00 9.851100583e+00 9.860268100e+00 -5.914786101e-01 1.185335154e+00 7.448025913e+00 -1.402734635e+00 1.670465895e+00 2.08 8.617836377e+00 -5.005738511e-01 5.456184802e+00 8.626862580e+00 8.635863066e+00 -8.489145882e-01 6.290966984e-01 6.382201705e+00 -1.661426099e+00 1.089249143e+00 2.10 7.483674601e+00 -9.389815578e-01 4.544852857e+00 7.492569954e+00 7.501439259e+00 -1.081710990e+00 1.236839087e-01 5.397992591e+00 -1.891177530e+00 5.599628248e-01 2.12 6.433750798e+00 -1.333386381e+00 3.705301690e+00 6.442547686e+00 6.451318197e+00 -1.291649162e+00 -3.346768678e-01 4.490105267e+00 -2.094330302e+00 7.881951278e-02 2.14 5.462727152e+00 -1.687094959e+00 2.932821427e+00 5.471454789e+00 5.480155722e+00 -1.480390334e+00 -7.494262973e-01 3.653565200e+00 -2.273051961e+00 -3.577087211e-01 2.16 4.565580694e+00 -2.003191281e+00 2.222986849e+00 4.574265386e+00 4.582923054e+00 -1.649483812e+00 -1.123783518e+00 2.883698190e+00 -2.429348892e+00 -7.529078375e-01 2.18 3.737585441e+00 -2.284550834e+00 1.571641007e+00 3.746250834e+00 3.754888884e+00 -1.800374584e+00 -1.460749895e+00 2.176112988e+00 -2.565078060e+00 -1.109838172e+00 2.20 2.974295541e+00 -2.533853868e+00 9.748797402e-01 2.982962830e+00 2.991602462e+00 -1.934410385e+00 -1.763123241e+00 1.526684888e+00 -2.681957887e+00 -1.431349666e+00 2.22 2.271529338e+00 -2.753597867e+00 4.290370629e-01 2.280217465e+00 2.288877627e+00 -2.052848246e+00 -2.033511127e+00 9.315402420e-01 -2.781578333e+00 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