# 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 = Mo2NbZr # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 8.752237370e+02 8.752237370e+02 1.08 7.960914166e+02 7.960914166e+02 1.10 7.255515382e+02 7.255515382e+02 1.12 6.615430028e+02 6.615430028e+02 1.14 6.028226978e+02 6.028226978e+02 1.16 5.491630194e+02 5.491630194e+02 1.18 5.000514983e+02 5.000514983e+02 1.20 4.552411318e+02 4.552411318e+02 1.22 4.146134141e+02 4.146134141e+02 1.24 3.777684381e+02 3.777684381e+02 1.26 3.442935252e+02 3.442935252e+02 1.28 3.140294198e+02 3.140294198e+02 1.30 2.866741152e+02 2.866741152e+02 1.32 2.617866039e+02 2.617866039e+02 1.34 2.390994826e+02 2.390994826e+02 1.36 2.182883037e+02 2.182883037e+02 1.38 1.992716697e+02 1.992716697e+02 1.40 1.819396598e+02 1.819396598e+02 1.42 1.661501191e+02 1.661501191e+02 1.44 1.517603345e+02 1.517603345e+02 1.46 1.385518169e+02 1.385518169e+02 1.48 1.264293043e+02 1.264293043e+02 1.50 1.153751621e+02 1.153751621e+02 1.52 1.052987080e+02 1.052987080e+02 1.54 9.603692113e+01 9.603692113e+01 1.56 8.755154563e+01 8.755154563e+01 1.58 7.977117638e+01 7.977117638e+01 1.60 7.272419391e+01 7.272419391e+01 1.62 6.620615323e+01 6.620615323e+01 1.64 6.018510166e+01 6.018510166e+01 1.66 5.465804676e+01 5.465804676e+01 1.68 4.955907986e+01 4.955907986e+01 1.70 4.490763006e+01 4.490763006e+01 1.72 4.073028757e+01 4.073028757e+01 1.74 3.699688344e+01 3.699688344e+01 1.76 3.365994165e+01 3.365994165e+01 1.78 3.062124099e+01 3.062124099e+01 1.80 2.779081156e+01 2.779081156e+01 1.82 2.518554463e+01 2.518554463e+01 1.84 2.281386926e+01 2.281386926e+01 1.86 2.066320547e+01 2.066320547e+01 1.88 1.872806027e+01 1.872806027e+01 1.90 1.701196541e+01 1.701196541e+01 1.92 1.548361659e+01 1.548361659e+01 1.94 1.409144402e+01 1.409144402e+01 1.96 1.280408069e+01 1.280408069e+01 1.98 1.162059909e+01 1.162059909e+01 2.00 1.055684225e+01 1.055684225e+01 2.02 9.533717461e+00 9.533717461e+00 2.04 8.643867563e+00 8.643867563e+00 2.06 7.811929170e+00 7.811929170e+00 2.08 7.041417607e+00 7.041417607e+00 2.10 6.360100635e+00 6.360100635e+00 2.12 5.765946183e+00 5.765946183e+00 2.14 5.206899235e+00 5.206899235e+00 2.16 4.633668917e+00 4.633668917e+00 2.18 4.038170400e+00 4.038170400e+00 2.20 3.179825952e+00 3.179825952e+00 2.22 2.400269190e+00 2.400269190e+00 2.24 1.676528061e+00 1.676528061e+00 2.26 9.463420739e-01 9.463420739e-01 2.28 1.867815213e-01 1.867815213e-01 2.30 -5.077619282e-01 -5.077619282e-01 2.32 -1.144536966e+00 -1.144536966e+00 2.34 -1.717795392e+00 -1.717795392e+00 2.36 -2.204476478e+00 -2.204476478e+00 2.38 -2.646322201e+00 -2.646322201e+00 2.40 -3.060699152e+00 -3.060699152e+00 2.42 -3.468847779e+00 -3.468847779e+00 2.44 -3.851882211e+00 -3.851882211e+00 2.46 -4.195741278e+00 -4.195741278e+00 2.48 -4.496368122e+00 -4.496368122e+00 2.50 -4.766393788e+00 -4.766393788e+00 2.52 -5.016664652e+00 -5.016664652e+00 2.54 -5.250364035e+00 -5.250364035e+00 2.56 -5.476041217e+00 -5.476041217e+00 2.58 -5.684618834e+00 -5.684618834e+00 2.60 -5.877875896e+00 -5.877875896e+00 2.62 -6.070016524e+00 -6.070016524e+00 2.64 -6.255828528e+00 -6.255828528e+00 2.66 -6.415247756e+00 -6.415247756e+00 2.68 -6.546186852e+00 -6.546186852e+00 2.70 -6.648454932e+00 -6.648454932e+00 2.72 -6.728621126e+00 -6.728621126e+00 2.74 -6.792217046e+00 -6.792217046e+00 2.76 -6.841795405e+00 -6.841795405e+00 2.78 -6.879305114e+00 -6.879305114e+00 2.80 -6.904061035e+00 -6.904061035e+00 2.82 -6.915303423e+00 -6.915303423e+00 2.84 -6.914803084e+00 -6.914803084e+00 2.86 -6.906985296e+00 -6.906985296e+00 2.88 -6.893924873e+00 -6.893924873e+00 2.90 -6.873763501e+00 -6.873763501e+00 2.92 -6.844367902e+00 -6.844367902e+00 2.94 -6.806699737e+00 -6.806699737e+00 2.96 -6.762542774e+00 -6.762542774e+00 2.98 -6.716087451e+00 -6.716087451e+00 3.00 -6.667273318e+00 -6.667273318e+00 3.02 -6.609141418e+00 -6.609141418e+00 3.04 -6.532923313e+00 -6.532923313e+00 3.06 -6.436928515e+00 -6.436928515e+00 3.08 -6.330016577e+00 -6.330016577e+00 3.10 -6.229134124e+00 -6.229134124e+00 3.12 -6.132739258e+00 -6.132739258e+00 3.14 -6.029187661e+00 -6.029187661e+00 3.16 -5.918905184e+00 -5.918905184e+00 3.18 -5.802799527e+00 -5.802799527e+00 3.20 -5.689078963e+00 -5.689078963e+00 3.22 -5.586333182e+00 -5.586333182e+00 3.24 -5.523232358e+00 -5.523232358e+00 3.26 -5.479288018e+00 -5.479288018e+00 3.28 -5.428874634e+00 -5.428874634e+00 3.30 -5.367833713e+00 -5.367833713e+00 3.32 -5.295330105e+00 -5.295330105e+00 3.34 -5.214035263e+00 -5.214035263e+00 3.36 -5.126962198e+00 -5.126962198e+00 3.38 -5.033459297e+00 -5.033459297e+00 3.40 -4.928059667e+00 -4.928059667e+00 3.42 -4.801257823e+00 -4.801257823e+00 3.44 -4.642850883e+00 -4.642850883e+00 3.46 -4.465709989e+00 -4.465709989e+00 3.48 -4.296859405e+00 -4.296859405e+00 3.50 -4.140835322e+00 -4.140835322e+00 3.52 -3.997888437e+00 -3.997888437e+00 3.54 -3.875045081e+00 -3.875045081e+00 3.56 -3.770281227e+00 -3.770281227e+00 3.58 -3.678477549e+00 -3.678477549e+00 3.60 -3.594681319e+00 -3.594681319e+00 3.62 -3.517457923e+00 -3.517457923e+00 3.64 -3.447610421e+00 -3.447610421e+00 3.66 -3.384122134e+00 -3.384122134e+00 3.68 -3.321778061e+00 -3.321778061e+00 3.70 -3.254374428e+00 -3.254374428e+00 3.72 -3.175959583e+00 -3.175959583e+00 3.74 -3.086495648e+00 -3.086495648e+00 3.76 -2.994544538e+00 -2.994544538e+00 3.78 -2.910084313e+00 -2.910084313e+00 3.80 -2.843466333e+00 -2.843466333e+00 3.82 -2.777458762e+00 -2.777458762e+00 3.84 -2.702575537e+00 -2.702575537e+00 3.86 -2.619683839e+00 -2.619683839e+00 3.88 -2.529925451e+00 -2.529925451e+00 3.90 -2.434743348e+00 -2.434743348e+00 3.92 -2.335347155e+00 -2.335347155e+00 3.94 -2.232813827e+00 -2.232813827e+00 3.96 -2.128597482e+00 -2.128597482e+00 3.98 -2.025517976e+00 -2.025517976e+00 4.00 -1.927560757e+00 -1.927560757e+00 4.02 -1.838681119e+00 -1.838681119e+00 4.04 -1.760674760e+00 -1.760674760e+00 4.06 -1.694418844e+00 -1.694418844e+00 4.08 -1.639677113e+00 -1.639677113e+00 4.10 -1.595065413e+00 -1.595065413e+00 4.12 -1.559295949e+00 -1.559295949e+00 4.14 -1.531076167e+00 -1.531076167e+00 4.16 -1.509149863e+00 -1.509149863e+00 4.18 -1.492258551e+00 -1.492258551e+00 4.20 -1.479232265e+00 -1.479232265e+00 4.22 -1.469806883e+00 -1.469806883e+00 4.24 -1.463610439e+00 -1.463610439e+00 4.26 -1.459943286e+00 -1.459943286e+00 4.28 -1.458067721e+00 -1.458067721e+00 4.30 -1.457214587e+00 -1.457214587e+00 4.32 -1.456589609e+00 -1.456589609e+00 4.34 -1.455451347e+00 -1.455451347e+00 4.36 -1.453448791e+00 -1.453448791e+00 4.38 -1.450364030e+00 -1.450364030e+00 4.40 -1.445992179e+00 -1.445992179e+00 4.42 -1.440145546e+00 -1.440145546e+00 4.44 -1.432658627e+00 -1.432658627e+00 4.46 -1.423557655e+00 -1.423557655e+00 4.48 -1.413271525e+00 -1.413271525e+00 4.50 -1.402209905e+00 -1.402209905e+00 4.52 -1.390770091e+00 -1.390770091e+00 4.54 -1.379339278e+00 -1.379339278e+00 4.56 -1.368282022e+00 -1.368282022e+00 4.58 -1.357427376e+00 -1.357427376e+00 4.60 -1.345799022e+00 -1.345799022e+00 4.62 -1.332655475e+00 -1.332655475e+00 4.64 -1.317390337e+00 -1.317390337e+00 4.66 -1.299358077e+00 -1.299358077e+00 4.68 -1.277803483e+00 -1.277803483e+00 4.70 -1.252416067e+00 -1.252416067e+00 4.72 -1.223549785e+00 -1.223549785e+00 4.74 -1.191770692e+00 -1.191770692e+00 4.76 -1.158140625e+00 -1.158140625e+00 4.78 -1.123955626e+00 -1.123955626e+00 4.80 -1.090596274e+00 -1.090596274e+00 4.82 -1.059488656e+00 -1.059488656e+00 4.84 -1.032085999e+00 -1.032085999e+00 4.86 -1.009830650e+00 -1.009830650e+00 4.88 -9.935443473e-01 -9.935443473e-01 4.90 -9.829061971e-01 -9.829061971e-01 4.92 -9.772893053e-01 -9.772893053e-01 4.94 -9.751541870e-01 -9.751541870e-01 4.96 -9.746627848e-01 -9.746627848e-01 4.98 -9.740010599e-01 -9.740010599e-01 5.00 -9.713905157e-01 -9.713905157e-01 5.02 -9.656946460e-01 -9.656946460e-01 5.04 -9.565459422e-01 -9.565459422e-01 5.06 -9.446701023e-01 -9.446701023e-01 5.08 -9.310588228e-01 -9.310588228e-01 5.10 -9.167796795e-01 -9.167796795e-01 5.12 -9.029910654e-01 -9.029910654e-01 5.14 -8.908639627e-01 -8.908639627e-01 5.16 -8.805845598e-01 -8.805845598e-01 5.18 -8.708970624e-01 -8.708970624e-01 5.20 -8.603555406e-01 -8.603555406e-01 5.22 -8.474919618e-01 -8.474919618e-01 5.24 -8.308324827e-01 -8.308324827e-01 5.26 -8.089860058e-01 -8.089860058e-01 5.28 -7.828623562e-01 -7.828623562e-01 5.30 -7.557390160e-01 -7.557390160e-01 5.32 -7.309286152e-01 -7.309286152e-01 5.34 -7.117422413e-01 -7.117422413e-01 5.36 -7.014883758e-01 -7.014883758e-01 5.38 -7.002418409e-01 -7.002418409e-01 5.40 -6.979766019e-01 -6.979766019e-01 5.42 -6.935329995e-01 -6.935329995e-01 5.44 -6.871099127e-01 -6.871099127e-01 5.46 -6.789117751e-01 -6.789117751e-01 5.48 -6.691186256e-01 -6.691186256e-01 5.50 -6.579001118e-01 -6.579001118e-01 5.52 -6.454288822e-01 -6.454288822e-01 5.54 -6.319231615e-01 -6.319231615e-01 5.56 -6.178845915e-01 -6.178845915e-01 5.58 -6.039996062e-01 -6.039996062e-01 5.60 -5.910968363e-01 -5.910968363e-01 5.62 -5.801113096e-01 -5.801113096e-01 5.64 -5.719899078e-01 -5.719899078e-01 5.66 -5.675475170e-01 -5.675475170e-01 5.68 -5.669640788e-01 -5.669640788e-01 5.70 -5.688019550e-01 -5.688019550e-01 5.72 -5.714319931e-01 -5.714319931e-01 5.74 -5.735800182e-01 -5.735800182e-01 5.76 -5.743634271e-01 -5.743634271e-01 5.78 -5.732024595e-01 -5.732024595e-01 5.80 -5.696632227e-01 -5.696632227e-01 5.82 -5.636468279e-01 -5.636468279e-01 5.84 -5.555467454e-01 -5.555467454e-01 5.86 -5.456613789e-01 -5.456613789e-01 5.88 -5.342495445e-01 -5.342495445e-01 5.90 -5.216255354e-01 -5.216255354e-01 5.92 -5.082279961e-01 -5.082279961e-01 5.94 -4.946113346e-01 -4.946113346e-01 5.96 -4.806259300e-01 -4.806259300e-01 5.98 -4.653492666e-01 -4.653492666e-01 6.00 -4.476632622e-01 -4.476632622e-01