# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo3Nb # 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 2025-12-17 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 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 9.760963788e+02 nan nan 0.98 8.738585775e+02 nan nan 1.00 7.830519931e+02 nan nan 1.02 7.017485671e+02 nan nan 1.04 6.289287231e+02 nan nan 1.06 5.639075089e+02 9.049777185e+02 nan 1.08 5.059682530e+02 8.182105196e+02 9.533096476e+02 1.10 4.543604361e+02 7.408503036e+02 8.632831171e+02 1.12 4.081054950e+02 6.711243604e+02 7.816559384e+02 1.14 3.668835752e+02 6.080324214e+02 7.080596640e+02 1.16 3.303496789e+02 5.507754905e+02 6.415212936e+02 1.18 2.978852384e+02 4.987686993e+02 5.820200139e+02 1.20 2.687121096e+02 4.517136332e+02 5.287059205e+02 1.22 2.425443533e+02 4.093606766e+02 4.810798368e+02 1.24 2.190968729e+02 3.711546074e+02 4.380518930e+02 1.26 1.978345328e+02 3.367362917e+02 3.991168710e+02 1.28 1.785205162e+02 3.058134023e+02 3.635139325e+02 1.30 1.611175843e+02 2.779036883e+02 3.310587899e+02 1.32 1.453707547e+02 2.526551100e+02 3.014199912e+02 1.34 1.312527902e+02 2.297629866e+02 2.745597261e+02 1.36 1.186052138e+02 2.089139886e+02 2.501648649e+02 1.38 1.071580231e+02 1.900513971e+02 2.279612199e+02 1.40 9.682463687e+01 1.730162804e+02 2.077568437e+02 1.42 8.747760883e+01 1.574861557e+02 1.893487181e+02 1.44 7.908976473e+01 1.433598663e+02 1.725563393e+02 1.46 7.150852610e+01 1.304863596e+02 1.572708000e+02 1.48 6.445258563e+01 1.187053550e+02 1.434094003e+02 1.50 5.810613727e+01 1.079577164e+02 1.307750003e+02 1.52 5.238788280e+01 9.814907321e+01 1.192453625e+02 1.54 4.721452600e+01 8.918793078e+01 1.087312909e+02 1.56 4.252998671e+01 8.106645625e+01 9.919194551e+01 1.58 3.828261190e+01 7.366393787e+01 9.054183544e+01 1.60 3.438626931e+01 6.696040176e+01 8.265455895e+01 1.62 3.084487616e+01 6.081130121e+01 7.544259455e+01 1.64 2.763581374e+01 5.520922157e+01 6.888106259e+01 1.66 2.473875865e+01 5.012173283e+01 6.295819083e+01 1.68 2.214488269e+01 4.548222597e+01 5.754560620e+01 1.70 1.978752777e+01 4.128121949e+01 5.255057774e+01 1.72 1.758540782e+01 3.751763627e+01 4.795900338e+01 1.74 1.559208623e+01 3.412925255e+01 4.374199399e+01 1.76 1.381302690e+01 3.115540735e+01 3.983911985e+01 1.78 1.223292936e+01 2.847257206e+01 3.625914335e+01 1.80 1.073323720e+01 2.602929747e+01 3.307099068e+01 1.82 9.431802759e+00 2.373345359e+01 3.009210283e+01 1.84 8.354141504e+00 2.175069195e+01 2.746742815e+01 1.86 7.443342885e+00 1.994783432e+01 2.500498890e+01 1.88 6.686376205e+00 1.827220936e+01 2.271847779e+01 1.90 6.034108510e+00 1.670068715e+01 2.062118316e+01 1.92 5.451966150e+00 1.520494104e+01 1.866588412e+01 1.94 4.905104644e+00 1.375357783e+01 1.681601246e+01 1.96 4.348472583e+00 1.233821742e+01 1.508814192e+01 1.98 3.764822148e+00 1.097713817e+01 1.351330991e+01 2.00 3.170129077e+00 9.710965274e+00 1.209841433e+01 2.02 2.581970118e+00 8.493842982e+00 1.073021363e+01 2.04 1.989404232e+00 7.444328998e+00 9.586428106e+00 2.06 1.400636648e+00 6.492397143e+00 8.584885977e+00 2.08 2.875843087e-01 5.623072780e+00 7.705905146e+00 2.10 -6.806876434e-01 4.854036649e+00 6.946825891e+00 2.12 -1.502071632e+00 4.184501940e+00 6.295583550e+00 2.14 -2.236082559e+00 3.579762610e+00 5.726829860e+00 2.16 -2.880904823e+00 2.997193230e+00 5.202861861e+00 2.18 -3.420672061e+00 2.429488245e+00 4.678646416e+00 2.20 -3.868637337e+00 1.849971141e+00 4.129146127e+00 2.22 -4.260422670e+00 9.285179604e-01 3.558178657e+00 2.24 -4.608134168e+00 1.121753022e-01 2.976418009e+00 2.26 -4.913302583e+00 -5.778214934e-01 2.396105213e+00 2.28 -5.180946912e+00 -1.212815747e+00 1.823466297e+00 2.30 -5.426238203e+00 -1.801111150e+00 6.230027788e-01 2.32 -5.649761362e+00 -2.351100093e+00 -4.660080097e-01 2.34 -5.855153310e+00 -2.866503538e+00 -1.276700093e+00 2.36 -6.061010274e+00 -3.335182457e+00 -1.888730497e+00 2.38 -6.255282248e+00 -3.742669868e+00 -2.415330725e+00 2.40 -6.430252069e+00 -4.097497169e+00 -2.882373126e+00 2.42 -6.577758990e+00 -4.419122078e+00 -3.301922265e+00 2.44 -6.694049606e+00 -4.711794715e+00 -3.678540077e+00 2.46 -6.779756721e+00 -4.979998209e+00 -4.022318591e+00 2.48 -6.849884623e+00 -5.225698675e+00 -4.342446268e+00 2.50 -6.909391771e+00 -5.451950972e+00 -4.640972721e+00 2.52 -6.945292198e+00 -5.669024297e+00 -4.911723566e+00 2.54 -6.953831313e+00 -5.868823933e+00 -5.148537572e+00 2.56 -6.935274444e+00 -6.065391849e+00 -5.353057753e+00 2.58 -6.901059182e+00 -6.251069525e+00 -5.528341320e+00 2.60 -6.853017726e+00 -6.423970779e+00 -5.679095267e+00 2.62 -6.787984772e+00 -6.588357867e+00 -5.805034765e+00 2.64 -6.702297514e+00 -6.731921765e+00 -5.914750468e+00 2.66 -6.596307332e+00 -6.845138226e+00 -6.013085879e+00 2.68 -6.476773779e+00 -6.932177674e+00 -6.106601806e+00 2.70 -6.371276636e+00 -7.000434403e+00 -6.216972983e+00 2.72 -6.284356740e+00 -7.052188206e+00 -6.337458109e+00 2.74 -6.184442614e+00 -7.087203478e+00 -6.414374071e+00 2.76 -6.078379572e+00 -7.104502021e+00 -6.458387508e+00 2.78 -5.978460799e+00 -7.104624679e+00 -6.500012837e+00 2.80 -5.871909163e+00 -7.088935591e+00 -6.532382990e+00 2.82 -5.761388836e+00 -7.059513627e+00 -6.553902272e+00 2.84 -5.654229165e+00 -7.019377642e+00 -6.577249526e+00 2.86 -5.552840311e+00 -6.968209970e+00 -6.599510450e+00 2.88 -5.453360552e+00 -6.902785869e+00 -6.613295446e+00 2.90 -5.350486718e+00 -6.821493537e+00 -6.614120728e+00 2.92 -5.244616678e+00 -6.726747809e+00 -6.598002602e+00 2.94 -5.139242045e+00 -6.626184412e+00 -6.568356478e+00 2.96 -5.039095335e+00 -6.530131990e+00 -6.534129520e+00 2.98 -4.948867300e+00 -6.447248672e+00 -6.500642963e+00 3.00 -4.868717347e+00 -6.371500893e+00 -6.464756795e+00 3.02 -4.792924988e+00 -6.288503641e+00 -6.420332529e+00 3.04 -4.714130752e+00 -6.182112247e+00 -6.359803565e+00 3.06 -4.625127217e+00 -6.050293017e+00 -6.284197900e+00 3.08 -4.522941209e+00 -5.909799340e+00 -6.208506380e+00 3.10 -4.405942553e+00 -5.783371748e+00 -6.151390952e+00 3.12 -4.259191328e+00 -5.664681058e+00 -6.098872101e+00 3.14 -4.078795466e+00 -5.532470808e+00 -6.030091429e+00 3.16 -3.886036681e+00 -5.378925781e+00 -5.947932738e+00 3.18 -3.707113641e+00 -5.194415318e+00 -5.855900017e+00 3.20 -3.549678397e+00 -4.996336803e+00 -5.757891348e+00 3.22 -3.402538561e+00 -4.828307011e+00 -5.659607976e+00 3.24 -3.251187800e+00 -4.742624110e+00 -5.568758991e+00 3.26 -3.083435171e+00 -4.695396489e+00 -5.493103672e+00 3.28 -2.919922840e+00 -4.640676962e+00 -5.438000746e+00 3.30 -2.792405997e+00 -4.571467398e+00 -5.398494600e+00 3.32 -2.726579251e+00 -4.485207398e+00 -5.362309249e+00 3.34 -2.671349250e+00 -4.382741895e+00 -5.317202189e+00 3.36 -2.605629514e+00 -4.265799513e+00 -5.253865715e+00 3.38 -2.525190389e+00 -4.134747777e+00 -5.172474020e+00 3.40 -2.430534893e+00 -3.988952481e+00 -5.072826306e+00 3.42 -2.327422159e+00 -3.835097296e+00 -4.958277116e+00 3.44 -2.224160436e+00 -3.686781548e+00 -4.833930742e+00 3.46 -2.115810893e+00 -3.550393760e+00 -4.694724504e+00 3.48 -1.997547989e+00 -3.427588470e+00 -4.527988495e+00 3.50 -1.874321835e+00 -3.318714325e+00 -4.316274577e+00 3.52 -1.751057953e+00 -3.221646955e+00 -4.053282218e+00 3.54 -1.633453277e+00 -3.131960244e+00 -3.781269424e+00 3.56 -1.525207080e+00 -3.043594102e+00 -3.551437530e+00 3.58 -1.428909664e+00 -2.955223798e+00 -3.404452989e+00 3.60 -1.345907136e+00 -2.869573724e+00 -3.307812566e+00 3.62 -1.278001062e+00 -2.789834830e+00 -3.221267083e+00 3.64 -1.227490367e+00 -2.719411526e+00 -3.147913020e+00 3.66 -1.192882609e+00 -2.658302270e+00 -3.090044263e+00 3.68 -1.170939271e+00 -2.599311102e+00 -3.045449177e+00 3.70 -1.157895093e+00 -2.532740160e+00 -3.008721555e+00 3.72 -1.149709978e+00 -2.448977753e+00 -2.974295710e+00 3.74 -1.142093867e+00 -2.348251678e+00 -2.936360065e+00 3.76 -1.130967562e+00 -2.245047905e+00 -2.888485936e+00 3.78 -1.115274474e+00 -2.154376963e+00 -2.823954341e+00 3.80 -1.095595993e+00 -2.090028139e+00 -2.736991445e+00 3.82 -1.073817054e+00 -2.027416815e+00 -2.628090701e+00 3.84 -1.052356006e+00 -1.954036705e+00 -2.500555229e+00 3.86 -1.033749674e+00 -1.872571276e+00 -2.358599761e+00 3.88 -1.020125827e+00 -1.785944925e+00 -2.207090019e+00 3.90 -1.012564492e+00 -1.697388110e+00 -2.051256062e+00 3.92 -1.011952216e+00 -1.610632906e+00 -1.898221621e+00 3.94 -1.018686882e+00 -1.528156339e+00 -1.755917001e+00 3.96 -1.032102827e+00 -1.450132257e+00 -1.629218183e+00 3.98 -1.051220140e+00 -1.376213150e+00 -1.519392307e+00 4.00 -1.073875912e+00 -1.305982328e+00 -1.426008213e+00 4.02 -1.097658953e+00 -1.239319872e+00 -1.349096212e+00 4.04 -1.120304794e+00 -1.176919786e+00 -1.287684224e+00 4.06 -1.139609429e+00 -1.120336189e+00 -1.240672270e+00 4.08 -1.153753261e+00 -1.071119710e+00 -1.206069035e+00 4.10 -1.162192937e+00 -1.029793619e+00 -1.180642255e+00 4.12 -1.165949287e+00 -9.964610187e-01 -1.161654039e+00 4.14 -1.165934922e+00 -9.710594134e-01 -1.147831043e+00 4.16 -1.162554417e+00 -9.533122793e-01 -1.138004515e+00 4.18 -1.155276853e+00 -9.428879169e-01 -1.130914399e+00 4.20 -1.143429869e+00 -9.395626977e-01 -1.125390056e+00 4.22 -1.126304745e+00 -9.438923049e-01 -1.120517875e+00 4.24 -1.103977006e+00 -9.550583781e-01 -1.114589088e+00 4.26 -1.078724659e+00 -9.712887866e-01 -1.105734125e+00 4.28 -1.053754515e+00 -9.907982682e-01 -1.091993098e+00 4.30 -1.032365555e+00 -1.011796586e+00 -1.071676584e+00 4.32 -1.017308866e+00 -1.032488861e+00 -1.048199761e+00 4.34 -1.010313630e+00 -1.051339659e+00 -1.028618581e+00 4.36 -1.011901012e+00 -1.068264990e+00 -1.019663267e+00 4.38 -1.018988173e+00 -1.083655418e+00 -1.028040683e+00 4.40 -1.027329724e+00 -1.097901873e+00 -1.049551960e+00 4.42 -1.033259290e+00 -1.111395027e+00 -1.069962137e+00 4.44 -1.034722330e+00 -1.124524136e+00 -1.088161942e+00 4.46 -1.030484173e+00 -1.137357072e+00 -1.103245138e+00 4.48 -1.019882527e+00 -1.149263736e+00 -1.114601917e+00 4.50 -1.004349019e+00 -1.159739665e+00 -1.122049803e+00 4.52 -9.859419371e-01 -1.168305004e+00 -1.125453238e+00 4.54 -9.668346449e-01 -1.174483158e+00 -1.124694834e+00 4.56 -9.494530394e-01 -1.177802541e+00 -1.119682068e+00 4.58 -9.362309421e-01 -1.177767953e+00 -1.110356950e+00 4.60 -9.294103544e-01 -1.173874775e+00 -1.096742389e+00 4.62 -9.301194353e-01 -1.165924534e+00 -1.079322200e+00 4.64 -9.386010987e-01 -1.153928928e+00 -1.058786374e+00 4.66 -9.524495253e-01 -1.137909842e+00 -1.035213308e+00 4.68 -9.683644315e-01 -1.117908989e+00 -1.008347096e+00 4.70 -9.830407997e-01 -1.094271935e+00 -9.780734168e-01 4.72 -9.932461862e-01 -1.067478750e+00 -9.446492537e-01 4.74 -9.962557543e-01 -1.038059636e+00 -9.089687471e-01 4.76 -9.914403487e-01 -1.007076812e+00 -8.729671061e-01 4.78 -9.806112155e-01 -9.758557803e-01 -8.389630442e-01 4.80 -9.657330312e-01 -9.458908759e-01 -8.093304339e-01 4.82 -9.487483779e-01 -9.191646003e-01 -7.863820753e-01 4.84 -9.315844829e-01 -8.980072500e-01 -7.722433593e-01 4.86 -9.156101116e-01 -8.847758433e-01 -7.687318137e-01 4.88 -8.992937773e-01 -8.808698195e-01 -7.759521480e-01 4.90 -8.800748802e-01 -8.857132181e-01 -7.909973701e-01 4.92 -8.553382755e-01 -8.979548065e-01 -8.107140574e-01 4.94 -8.224329382e-01 -9.146136365e-01 -8.322290384e-01 4.96 -7.788833516e-01 -9.325540135e-01 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