# 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 = Pd3Ti # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 5.395613847e+02 nan nan 0.84 5.065532941e+02 nan nan 0.86 4.754452285e+02 nan nan 0.88 4.461316229e+02 nan nan 0.90 4.185126557e+02 5.453759579e+02 nan 0.92 3.924939382e+02 5.143847835e+02 5.878458646e+02 0.94 3.679862214e+02 4.850529428e+02 5.544314830e+02 0.96 3.449051186e+02 4.572941743e+02 5.228318214e+02 0.98 3.231708429e+02 4.310266592e+02 4.929498774e+02 1.00 3.027079596e+02 4.061727911e+02 4.646938247e+02 1.02 2.834451509e+02 3.826589574e+02 4.379767359e+02 1.04 2.653149948e+02 3.604153318e+02 4.127163210e+02 1.06 2.482537546e+02 3.393756788e+02 3.888346790e+02 1.08 2.322011807e+02 3.194771675e+02 3.662580632e+02 1.10 2.171003231e+02 3.006601960e+02 3.449166591e+02 1.12 2.028973531e+02 2.828682248e+02 3.247443740e+02 1.14 1.895413957e+02 2.660476187e+02 3.056786376e+02 1.16 1.769843705e+02 2.501474973e+02 2.876602139e+02 1.18 1.651808412e+02 2.351195937e+02 2.706330228e+02 1.20 1.540878731e+02 2.209181200e+02 2.545439710e+02 1.22 1.436648982e+02 2.074996400e+02 2.393427927e+02 1.24 1.338735881e+02 1.948229491e+02 2.249818979e+02 1.26 1.246777326e+02 1.828489596e+02 2.114162299e+02 1.28 1.160431259e+02 1.715405928e+02 1.986031296e+02 1.30 1.079374582e+02 1.608626762e+02 1.865022073e+02 1.32 1.003302132e+02 1.507818462e+02 1.750752218e+02 1.34 9.319257099e+01 1.412664561e+02 1.642859655e+02 1.36 8.649731659e+01 1.322864880e+02 1.541001559e+02 1.38 8.021875273e+01 1.238134705e+02 1.444853328e+02 1.40 7.433261758e+01 1.158203998e+02 1.354107613e+02 1.42 6.881600688e+01 1.082816645e+02 1.268473398e+02 1.44 6.364730006e+01 1.011729759e+02 1.187675130e+02 1.46 5.880609047e+01 9.447129958e+01 1.111451895e+02 1.48 5.427311917e+01 8.815479254e+01 1.039556638e+02 1.50 5.003021235e+01 8.220274220e+01 9.717554297e+01 1.52 4.606022201e+01 7.659550917e+01 9.078267641e+01 1.54 4.234696988e+01 7.131447268e+01 8.475609016e+01 1.56 3.887519424e+01 6.634197884e+01 7.907592430e+01 1.58 3.563049970e+01 6.166129152e+01 7.372337383e+01 1.60 3.259930952e+01 5.725654571e+01 6.868063275e+01 1.62 2.976882060e+01 5.311270326e+01 6.393084106e+01 1.64 2.712696083e+01 4.921551081e+01 5.945803464e+01 1.66 2.466234873e+01 4.555145990e+01 5.524709785e+01 1.68 2.236425526e+01 4.210774901e+01 5.128371855e+01 1.70 2.022256769e+01 3.887224762e+01 4.755434564e+01 1.72 1.822775538e+01 3.583346199e+01 4.404614882e+01 1.74 1.637083750e+01 3.298050268e+01 4.074698046e+01 1.76 1.464335233e+01 3.030305373e+01 3.764533955e+01 1.78 1.303732841e+01 2.779134337e+01 3.473033755e+01 1.80 1.154525706e+01 2.543611620e+01 3.199166604e+01 1.82 1.016006659e+01 2.322860677e+01 2.941956615e+01 1.84 8.875097702e+00 2.116051448e+01 2.700479952e+01 1.86 7.684080410e+00 1.922397976e+01 2.473862088e+01 1.88 6.581112101e+00 1.741156143e+01 2.261275205e+01 1.90 5.560636844e+00 1.571621520e+01 2.061935729e+01 1.92 4.617425812e+00 1.413127325e+01 1.875102002e+01 1.94 3.746558784e+00 1.265042483e+01 1.700072073e+01 1.96 2.943406652e+00 1.126769785e+01 1.536181601e+01 1.98 2.203614900e+00 9.977441415e+00 1.382801881e+01 2.00 1.523087977e+00 8.774309162e+00 1.239337961e+01 2.02 8.979745431e-01 7.653243528e+00 1.105226867e+01 2.04 3.246535232e-01 6.609460755e+00 9.799359174e+00 2.06 -2.002790693e-01 5.638436669e+00 8.629611275e+00 2.08 -6.800225762e-01 4.735893175e+00 7.538256965e+00 2.10 -1.117583449e+00 3.897785434e+00 6.520785759e+00 2.12 -1.515786356e+00 3.120289689e+00 5.572931117e+00 2.14 -1.877284660e+00 2.399791708e+00 4.690657585e+00 2.16 -2.204570327e+00 1.732875809e+00 3.870148606e+00 2.18 -2.499983270e+00 1.116314447e+00 3.107794974e+00 2.20 -2.765720177e+00 5.470583241e-01 2.400183888e+00 2.22 -3.003842840e+00 2.222700741e-02 1.744088585e+00 2.24 -3.216286024e+00 -4.608999785e-01 1.136458509e+00 2.26 -3.404864885e+00 -9.048916156e-01 5.744100000e-01 2.28 -3.571281976e+00 -1.312173674e+00 5.521746781e-02 2.30 -3.717133857e+00 -1.685035728e+00 -4.236949725e-01 2.32 -3.843881789e+00 -2.025637881e+00 -8.647614285e-01 2.34 -3.952448819e+00 -2.336019909e+00 -1.270281744e+00 2.36 -4.044562239e+00 -2.618105682e+00 -1.642428618e+00 2.38 -4.122064081e+00 -2.873709939e+00 -1.983254356e+00 2.40 -4.185605573e+00 -3.104544134e+00 -2.294697264e+00 2.42 -4.236266153e+00 -3.312221991e+00 -2.578587713e+00 2.44 -4.275056304e+00 -3.498264759e+00 -2.836653880e+00 2.46 -4.302921676e+00 -3.664106203e+00 -3.070527198e+00 2.48 -4.320746975e+00 -3.811097337e+00 -3.281747515e+00 2.50 -4.329285483e+00 -3.940510908e+00 -3.471768593e+00 2.52 -4.328141326e+00 -4.053545647e+00 -3.641967446e+00 2.54 -4.317830865e+00 -4.151330305e+00 -3.793627752e+00 2.56 -4.303418880e+00 -4.234927469e+00 -3.927958138e+00 2.58 -4.282594172e+00 -4.305337186e+00 -4.046124268e+00 2.60 -4.255943412e+00 -4.363500394e+00 -4.149210616e+00 2.62 -4.224016228e+00 -4.410302175e+00 -4.238239393e+00 2.64 -4.187325324e+00 -4.446572110e+00 -4.314173908e+00 2.66 -4.146348748e+00 -4.472474783e+00 -4.377921754e+00 2.68 -4.101532028e+00 -4.485846960e+00 -4.430337818e+00 2.70 -4.053290179e+00 -4.491658531e+00 -4.472227140e+00 2.72 -4.002009593e+00 -4.493478593e+00 -4.504347621e+00 2.74 -3.948049814e+00 -4.488235331e+00 -4.527412586e+00 2.76 -3.891745211e+00 -4.476499221e+00 -4.542093212e+00 2.78 -3.833406548e+00 -4.458805629e+00 -4.549020834e+00 2.80 -3.773322456e+00 -4.435656784e+00 -4.548789126e+00 2.82 -3.711760821e+00 -4.407523639e+00 -4.541956163e+00 2.84 -3.648970085e+00 -4.374847641e+00 -4.529046383e+00 2.86 -3.585180468e+00 -4.338042398e+00 -4.510552440e+00 2.88 -3.520605110e+00 -4.297495265e+00 -4.486936956e+00 2.90 -3.455441148e+00 -4.253568841e+00 -4.458634192e+00 2.92 -3.389870721e+00 -4.206602383e+00 -4.426051615e+00 2.94 -3.324061916e+00 -4.156913149e+00 -4.389571394e+00 2.96 -3.258169646e+00 -4.104797665e+00 -4.349551815e+00 2.98 -3.192336476e+00 -4.050532922e+00 -4.306328610e+00 3.00 -3.126693397e+00 -3.994377511e+00 -4.260216233e+00 3.02 -3.061360545e+00 -3.936572694e+00 -4.211509053e+00 3.04 -2.996447872e+00 -3.877343414e+00 -4.160482487e+00 3.06 -2.932055771e+00 -3.816899256e+00 -4.105891107e+00 3.08 -2.868275659e+00 -3.755435345e+00 -4.028911319e+00 3.10 -2.805190522e+00 -3.693133203e+00 -3.902001918e+00 3.12 -2.742875409e+00 -3.630161551e+00 -3.816169605e+00 3.14 -2.681397905e+00 -3.566677072e+00 -3.761327268e+00 3.16 -2.620818558e+00 -3.502825128e+00 -3.705364917e+00 3.18 -2.561191273e+00 -3.438740434e+00 -3.648451966e+00 3.20 -2.502563683e+00 -3.374547697e+00 -3.590746376e+00 3.22 -2.444977485e+00 -3.310362219e+00 -3.532395306e+00 3.24 -2.388468745e+00 -3.246290462e+00 -3.473535727e+00 3.26 -2.333068187e+00 -3.182430581e+00 -3.414295006e+00 3.28 -2.278801451e+00 -3.118872928e+00 -3.354791457e+00 3.30 -2.225689335e+00 -3.055700522e+00 -3.295134867e+00 3.32 -2.173748012e+00 -2.992989499e+00 -3.235426992e+00 3.34 -2.122989236e+00 -2.930809525e+00 -3.175762022e+00 3.36 -2.073420537e+00 -2.869224188e+00 -3.116227030e+00 3.38 -2.025045392e+00 -2.808291373e+00 -3.056902389e+00 3.40 -1.977863402e+00 -2.748063599e+00 -2.997862171e+00 3.42 -1.931870457e+00 -2.688588352e+00 -2.939174525e+00 3.44 -1.887058895e+00 -2.629908382e+00 -2.880902029e+00 3.46 -1.843417671e+00 -2.572061988e+00 -2.823102028e+00 3.48 -1.800932517e+00 -2.515083288e+00 -2.765826953e+00 3.50 -1.759586117e+00 -2.459002459e+00 -2.709124622e+00 3.52 -1.719294363e+00 -2.403845975e+00 -2.653038521e+00 3.54 -1.673412282e+00 -2.349636818e+00 -2.597608073e+00 3.56 -1.582998818e+00 -2.296394679e+00 -2.542868892e+00 3.58 -1.452123629e+00 -2.244136143e+00 -2.488853024e+00 3.60 -1.428019143e+00 -2.192874861e+00 -2.435589166e+00 3.62 -1.395523788e+00 -2.142621714e+00 -2.383102884e+00 3.64 -1.363819357e+00 -2.093384952e+00 -2.331416812e+00 3.66 -1.332897960e+00 -2.045170340e+00 -2.280550838e+00 3.68 -1.302750710e+00 -1.997981278e+00 -2.230522287e+00 3.70 -1.273367784e+00 -1.951818920e+00 -2.181346081e+00 3.72 -1.244738472e+00 -1.906682287e+00 -2.133034903e+00 3.74 -1.216851229e+00 -1.861917629e+00 -2.085599341e+00 3.76 -1.189693721e+00 -1.803697005e+00 -2.039048027e+00 3.78 -1.163252870e+00 -1.692300600e+00 -1.993387769e+00 3.80 -1.137514898e+00 -1.504416517e+00 -1.948623670e+00 3.82 -1.112465366e+00 -1.419761773e+00 -1.904759245e+00 3.84 -1.088089221e+00 -1.389462056e+00 -1.861796526e+00 3.86 -1.063808721e+00 -1.359864961e+00 -1.819736165e+00 3.88 -1.022449669e+00 -1.330958926e+00 -1.778577522e+00 3.90 -9.053291247e-01 -1.302731289e+00 -1.738318756e+00 3.92 -5.828939164e-01 -1.275168379e+00 -1.698956901e+00 3.94 -2.812730053e-01 -1.248255616e+00 -1.660487946e+00 3.96 -2.730531933e-01 -1.221977608e+00 -1.622906901e+00 3.98 -2.650495379e-01 -1.196318258e+00 -1.586207861e+00 4.00 -2.572576961e-01 -1.171260872e+00 -1.550384064e+00 4.02 -2.496733275e-01 -1.146788266e+00 -1.515427948e+00 4.04 -2.422921014e-01 -1.122882884e+00 -1.481331195e+00 4.06 -2.351097034e-01 -1.099526912e+00 -1.448084781e+00 4.08 -2.281218411e-01 -1.076702397e+00 -1.415679013e+00 4.10 -2.213242496e-01 -1.054391366e+00 -1.384103568e+00 4.12 -2.147126962e-01 -1.032575950e+00 -1.353347525e+00 4.14 -2.082829849e-01 -1.011238505e+00 -1.323399395e+00 4.16 -2.020309604e-01 -9.903617369e-01 -1.294247145e+00 4.18 -1.959525115e-01 -9.699288220e-01 -1.265878227e+00 4.20 -1.900435748e-01 -9.499235282e-01 -1.238279593e+00 4.22 -1.843001371e-01 -9.303303297e-01 -1.211437715e+00 4.24 -1.787182380e-01 -9.111345144e-01 -1.185338603e+00 4.26 -1.732939726e-01 -8.923222809e-01 -1.159967818e+00 4.28 -1.680234928e-01 -8.738808211e-01 -1.135310486e+00 4.30 -1.629030096e-01 -8.557983849e-01 -1.111351308e+00 4.32 -1.575256832e-01 -8.364251332e-01 -1.085767518e+00 4.34 -1.468718793e-01 -7.950061099e-01 -1.029506895e+00 4.36 -1.186522796e-01 -6.753466739e-01 -8.662322969e-01 4.38 -6.060539973e-02 -3.887110188e-01 -4.872292948e-01 4.40 -2.357903129e-23 -2.314080145e-22 -1.780931824e-22 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00