# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-08-31 r Ni Ni Cu Ni Ni Ti Cu Cu Ti Ti Cu Ti 0.02 1.143790735e+03 1.558055956e+03 3.089864319e+01 7.829340804e+02 2.912821134e+02 1.587832809e+03 0.04 1.077103629e+03 1.465210428e+03 3.732359276e+01 7.430545674e+02 2.784420597e+02 1.502275400e+03 0.06 1.014161751e+03 1.377703970e+03 4.284439729e+01 7.050843868e+02 2.663218718e+02 1.421108836e+03 0.08 9.547604652e+02 1.295242368e+03 4.755400146e+01 6.689217745e+02 2.548559311e+02 1.344128107e+03 0.10 8.987060742e+02 1.217543231e+03 5.153538479e+01 6.344853070e+02 2.439872802e+02 1.271134291e+03 0.12 8.458152469e+02 1.144339475e+03 5.486277555e+01 6.016976631e+02 2.336663279e+02 1.201935583e+03 0.14 7.959144749e+02 1.075378580e+03 5.760268482e+01 5.704848118e+02 2.238497527e+02 1.136347464e+03 0.16 7.488395570e+02 1.010421842e+03 5.981479532e+01 5.407758592e+02 2.144995729e+02 1.074192766e+03 0.18 7.044351087e+02 9.492436312e+02 6.155273062e+01 5.125028840e+02 2.055823586e+02 1.015301652e+03 0.20 6.625540998e+02 8.916306729e+02 6.286472687e+01 4.856008353e+02 1.970685651e+02 9.595115404e+02 0.22 6.230574128e+02 8.373813871e+02 6.379423042e+01 4.600074466e+02 1.889319668e+02 9.066669769e+02 0.24 5.858134249e+02 7.863052705e+02 6.438043794e+01 4.356631342e+02 1.811491786e+02 8.566194779e+02 0.26 5.506976130e+02 7.382223136e+02 6.465879486e+01 4.125108823e+02 1.736992508e+02 8.092273471e+02 0.28 5.175921765e+02 6.929624417e+02 6.466146694e+01 3.904961259e+02 1.665633250e+02 7.643554691e+02 0.30 4.863856810e+02 6.503649808e+02 6.441779234e+01 3.695666415e+02 1.597243434e+02 7.218750911e+02 0.32 4.569727210e+02 6.102781504e+02 6.395471922e+01 3.496724485e+02 1.531668023e+02 6.816635956e+02 0.34 4.292535983e+02 5.725585797e+02 6.329722612e+01 3.307657192e+02 1.468765431e+02 6.436042658e+02 0.36 4.031340185e+02 5.370708529e+02 6.246871211e+01 3.128006950e+02 1.408405748e+02 6.075860524e+02 0.38 3.785248031e+02 5.036870787e+02 6.149133533e+01 2.957336069e+02 1.350469244e+02 5.735033400e+02 0.40 3.553416159e+02 4.722864828e+02 6.038626834e+01 2.795225973e+02 1.294845087e+02 5.412557153e+02 0.42 3.335047047e+02 4.427550244e+02 5.917383378e+01 2.641276440e+02 1.241430264e+02 5.107477418e+02 0.44 3.129386560e+02 4.149850320e+02 5.787348974e+01 2.495104850e+02 1.190128654e+02 4.818887374e+02 0.46 2.935721623e+02 3.888748585e+02 5.650365179e+01 2.356345452e+02 1.140850251e+02 4.545925592e+02 0.48 2.753378029e+02 3.643285553e+02 5.508137115e+01 2.224648648e+02 1.093510487e+02 4.287773949e+02 0.50 2.581718349e+02 3.412555618e+02 5.362193052e+01 2.099680309e+02 1.048029666e+02 4.043655599e+02 0.52 2.420139963e+02 3.195704116e+02 5.213845283e+01 1.981121107e+02 1.004332475e+02 3.812833030e+02 0.54 2.268073193e+02 2.991924548e+02 5.064163224e+01 1.868665888e+02 9.623475583e+01 3.594606189e+02 0.56 2.124979533e+02 2.800455934e+02 4.913967472e+01 1.762023061e+02 9.220071655e+01 3.388310671e+02 0.58 1.990349979e+02 2.620580312e+02 4.763848186e+01 1.660914031e+02 8.832468340e+01 3.193316001e+02 0.60 1.863703447e+02 2.451620374e+02 4.614204594e+01 1.565072642e+02 8.460051225e+01 3.009023973e+02 0.62 1.744585271e+02 2.292937221e+02 4.465297012e+01 1.474244659e+02 8.102233759e+01 2.834867065e+02 0.64 1.632565793e+02 2.143928242e+02 4.317300688e+01 1.388187267e+02 7.758455222e+01 2.670306929e+02 0.66 1.527239017e+02 2.004025106e+02 4.170352237e+01 1.306668596e+02 7.428178934e+01 2.514832945e+02 0.68 1.428221339e+02 1.872691863e+02 4.024583183e+01 1.229467259e+02 7.110890679e+01 2.367960842e+02 0.70 1.335150355e+02 1.749423153e+02 3.880139299e+01 1.156371916e+02 6.806097318e+01 2.229231382e+02 0.72 1.247683716e+02 1.633742501e+02 3.737187722e+01 1.087180854e+02 6.513325551e+01 2.098209110e+02 0.74 1.165498060e+02 1.525200715e+02 3.595915331e+01 1.021701581e+02 6.232120810e+01 1.974481159e+02 0.76 1.088287991e+02 1.423374368e+02 3.456522167e+01 9.597504355e+01 5.962046265e+01 1.857656113e+02 0.78 1.015765116e+02 1.327864363e+02 3.319212967e+01 9.011522120e+01 5.702681925e+01 1.747362927e+02 0.80 9.476571344e+01 1.238294574e+02 3.184188878e+01 8.457398010e+01 5.453623819e+01 1.643249897e+02 0.82 8.837069736e+01 1.154310565e+02 3.051640531e+01 7.933538414e+01 5.214483252e+01 1.544983684e+02 0.84 8.236719704e+01 1.075578373e+02 2.921742906e+01 7.438423850e+01 4.984886115e+01 1.452248373e+02 0.86 7.673230976e+01 1.001783367e+02 2.794651977e+01 6.970605761e+01 4.764472252e+01 1.364744602e+02 0.88 7.144442277e+01 9.326291562e+01 2.670502920e+01 6.528703420e+01 4.552894871e+01 1.282188705e+02 0.90 6.648314370e+01 8.678365691e+01 2.549409530e+01 6.111400951e+01 4.349819991e+01 1.204311922e+02 0.92 6.182923467e+01 8.071426827e+01 2.431464536e+01 5.717444485e+01 4.154925935e+01 1.130859634e+02 0.94 5.746454964e+01 7.502999050e+01 2.316740521e+01 5.345639411e+01 3.967902837e+01 1.061590639e+02 0.96 5.337197503e+01 6.970751084e+01 2.205291220e+01 4.994847748e+01 3.788452193e+01 9.962764648e+01 0.98 4.953537367e+01 6.472488120e+01 2.097153028e+01 4.663985630e+01 3.616286424e+01 9.347007187e+01 1.00 4.593953120e+01 6.006144044e+01 1.992346583e+01 4.352020884e+01 3.451128469e+01 8.766584631e+01 1.02 4.257010566e+01 5.569774144e+01 1.890878363e+01 4.057970714e+01 3.292711393e+01 8.219556282e+01 1.04 3.941357951e+01 5.161548182e+01 1.792742221e+01 3.780899493e+01 3.140778013e+01 7.704084515e+01 1.06 3.645721405e+01 4.779743851e+01 1.697920840e+01 3.519916630e+01 2.995080547e+01 7.218429452e+01 1.08 3.368900644e+01 4.422740615e+01 1.606387085e+01 3.274174549e+01 2.855380268e+01 6.760943920e+01 1.10 3.109764874e+01 4.089013867e+01 1.518105249e+01 3.042866741e+01 2.721447182e+01 6.330068645e+01 1.12 2.867248922e+01 3.777129415e+01 1.433032192e+01 2.825225906e+01 2.593059710e+01 5.924327696e+01 1.14 2.640349568e+01 3.485738290e+01 1.351118365e+01 2.620522181e+01 2.470004391e+01 5.542324163e+01 1.16 2.428122066e+01 3.213571821e+01 1.272308748e+01 2.428061434e+01 2.352075591e+01 5.182736046e+01 1.18 2.229676856e+01 2.959437001e+01 1.196543685e+01 2.247183640e+01 2.239075223e+01 4.844312353e+01 1.20 2.044176446e+01 2.722212109e+01 1.123759638e+01 2.077261331e+01 2.130812480e+01 4.525869404e+01 1.22 1.870832464e+01 2.500842572e+01 1.053889866e+01 1.917698107e+01 2.027103574e+01 4.226287311e+01 1.24 1.708902864e+01 2.294337065e+01 9.868650253e+00 1.767927214e+01 1.927771490e+01 3.944506645e+01 1.26 1.557689292e+01 2.101763833e+01 9.226137146e+00 1.627410189e+01 1.832645743e+01 3.679525272e+01 1.28 1.416534586e+01 1.922247212e+01 8.610629562e+00 1.495635558e+01 1.741562148e+01 3.430395344e+01 1.30 1.284820417e+01 1.754964361e+01 8.021386273e+00 1.372117592e+01 1.654362592e+01 3.196220454e+01 1.32 1.161965063e+01 1.599142162e+01 7.457658436e+00 1.256395124e+01 1.570894824e+01 2.976152928e+01 1.34 1.047421296e+01 1.454054312e+01 6.918692998e+00 1.148030405e+01 1.491012241e+01 2.769391254e+01 1.36 9.406743963e+00 1.319018574e+01 6.403735718e+00 1.046608025e+01 1.414573688e+01 2.575177659e+01 1.38 8.412402740e+00 1.193394185e+01 5.912033845e+00 9.517338679e+00 1.341443268e+01 2.392795786e+01 1.40 7.486636922e+00 1.076579409e+01 5.442838473e+00 8.630341153e+00 1.271490148e+01 2.221568510e+01 1.42 6.625165964e+00 9.680092437e+00 4.995406621e+00 7.801543009e+00 1.204588382e+01 2.060855859e+01 1.44 5.823965310e+00 8.671532390e+00 4.569003044e+00 7.027583950e+00 1.140616733e+01 1.910053041e+01 1.46 5.079251516e+00 7.735134594e+00 4.162901824e+00 6.305279363e+00 1.079458510e+01 1.768588573e+01 1.48 4.387468188e+00 6.866225541e+00 3.776387742e+00 5.631611988e+00 1.021001397e+01 1.635922515e+01 1.50 3.745272699e+00 6.060419382e+00 3.408757464e+00 5.003723933e+00 9.651373023e+00 1.511544779e+01 1.52 3.149523724e+00 5.313600859e+00 3.059320553e+00 4.418909077e+00 9.117622030e+00 1.394973545e+01 1.54 2.597269427e+00 4.621909154e+00 2.727400328e+00 3.874605765e+00 8.607759997e+00 1.285753739e+01 1.56 2.085736348e+00 3.981722703e+00 2.412334579e+00 3.368389832e+00 8.120823742e+00 1.183455611e+01 1.58 1.612318952e+00 3.389644925e+00 2.113476163e+00 2.897967957e+00 7.655886540e+00 1.087673368e+01 1.60 1.174569732e+00 2.842490715e+00 1.830193474e+00 2.461171264e+00 7.212056790e+00 9.980238928e+00 1.62 7.701899167e-01 2.337273779e+00 1.561870820e+00 2.055949239e+00 6.788476752e+00 9.141455173e+00 1.64 3.970207146e-01 1.871194697e+00 1.307908707e+00 1.680363911e+00 6.384321315e+00 8.356968730e+00 1.66 5.303503440e-02 1.441629655e+00 1.067724031e+00 1.332584264e+00 5.998796813e+00 7.623557888e+00 1.68 -2.636702817e-01 1.046119876e+00 8.407502085e-01 1.010880932e+00 5.631139875e+00 6.938182558e+00 1.70 -5.548817909e-01 6.823616534e-01 6.264372293e-01 7.136211125e-01 5.280616332e+00 6.297974425e+00 1.72 -8.222763671e-01 3.481969510e-01 4.242516556e-01 4.392636988e-01 4.946520140e+00 5.700227604e+00 1.74 -1.067427691e+00 4.160459600e-02 2.336765683e-01 1.863546568e-01 4.628172358e+00 5.142389832e+00 1.76 -1.291812389e+00 -2.393080453e-01 5.421146335e-02 -4.647741250e-02 4.324920156e+00 4.622054082e+00 1.78 -1.496815806e+00 -4.963128908e-01 -1.146278915e-01 -2.605255023e-01 4.036135857e+00 4.136950634e+00 1.80 -1.683737429e+00 -7.310684871e-01 -2.733096351e-01 -4.570082246e-01 3.761216016e+00 3.684939578e+00 1.82 -1.853796022e+00 -9.451269495e-01 -4.222860263e-01 -6.370736697e-01 3.499580526e+00 3.264003690e+00 1.84 -2.008134442e+00 -1.139940470e+00 -5.619936834e-01 -8.018030746e-01 3.250671761e+00 2.872241698e+00 1.86 -2.147824175e+00 -1.316867440e+00 -6.928538463e-01 -9.522143191e-01 3.013953748e+00 2.507861915e+00 1.88 -2.273869620e+00 -1.477178229e+00 -8.152726630e-01 -1.089265273e+00 2.788911367e+00 2.169176184e+00 1.90 -2.387212109e+00 -1.622060592e+00 -9.296414897e-01 -1.213856969e+00 2.575049581e+00 1.854594169e+00 1.92 -2.488733698e+00 -1.752624775e+00 -1.036337207e+00 -1.326836637e+00 2.371892692e+00 1.562617946e+00 1.94 -2.579260745e+00 -1.869908318e+00 -1.135722551e+00 -1.429000592e+00 2.178983623e+00 1.291836864e+00 1.96 -2.659567257e+00 -1.974880549e+00 -1.228146448e+00 -1.521096978e+00 1.995883231e+00 1.040922709e+00 1.98 -2.730378062e+00 -2.068446832e+00 -1.313944363e+00 -1.603828390e+00 1.822169635e+00 8.086251084e-01 2.00 -2.792371788e+00 -2.151452557e+00 -1.393438649e+00 -1.677854361e+00 1.657437575e+00 5.937671785e-01 2.02 -2.846183658e+00 -2.224686874e+00 -1.466938904e+00 -1.743793726e+00 1.501297796e+00 3.952414271e-01 2.04 -2.892408137e+00 -2.288886225e+00 -1.534742332e+00 -1.802226883e+00 1.353376444e+00 2.120058511e-01 2.06 -2.931601412e+00 -2.344737650e+00 -1.597134095e+00 -1.853697928e+00 1.213314494e+00 4.308025943e-02 2.08 -2.964283724e+00 -2.392881893e+00 -1.654387680e+00 -1.898716686e+00 1.080767196e+00 -1.124572051e-01 2.10 -2.990941577e+00 -2.433916330e+00 -1.706765251e+00 -1.937760655e+00 9.554035350e-01 -2.554733682e-01 2.12 -3.012029797e+00 -2.468397709e+00 -1.754518008e+00 -1.971276830e+00 8.369057171e-01 -3.867831333e-01 2.14 -3.027973484e+00 -2.496844731e+00 -1.797886536e+00 -1.999683452e+00 7.249686735e-01 -5.071524300e-01 2.16 -3.039169845e+00 -2.519740473e+00 -1.837101159e+00 -2.023371659e+00 6.192995779e-01 -6.173010052e-01 2.18 -3.045989911e+00 -2.537534657e+00 -1.872382278e+00 -2.042707057e+00 5.196173871e-01 -7.179050517e-01 2.20 -3.048780162e+00 -2.550645793e+00 -1.903940714e+00 -2.058031204e+00 4.256523936e-01 -8.095997045e-01 2.22 -3.047864050e+00 -2.559463181e+00 -1.931978039e+00 -2.069663027e+00 3.371457965e-01 -8.929813966e-01 2.24 -3.043543429e+00 -2.564348788e+00 -1.956686906e+00 -2.077900151e+00 2.538492889e-01 -9.686100817e-01 2.26 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