# 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 = TiW2Zr # 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 3.996972590e+02 3.996972590e+02 1.08 3.671497687e+02 3.671497687e+02 1.10 3.374702081e+02 3.374702081e+02 1.12 3.108814922e+02 3.108814922e+02 1.14 2.858672071e+02 2.858672071e+02 1.16 2.626077612e+02 2.626077612e+02 1.18 2.417671883e+02 2.417671883e+02 1.20 2.227330438e+02 2.227330438e+02 1.22 2.050567123e+02 2.050567123e+02 1.24 1.889178745e+02 1.889178745e+02 1.26 1.743112996e+02 1.743112996e+02 1.28 1.610136116e+02 1.610136116e+02 1.30 1.488018161e+02 1.488018161e+02 1.32 1.375903605e+02 1.375903605e+02 1.34 1.272662217e+02 1.272662217e+02 1.36 1.176565355e+02 1.176565355e+02 1.38 1.089411479e+02 1.089411479e+02 1.40 1.008435217e+02 1.008435217e+02 1.42 9.348833443e+01 9.348833443e+01 1.44 8.692521402e+01 8.692521402e+01 1.46 8.085472407e+01 8.085472407e+01 1.48 7.515064434e+01 7.515064434e+01 1.50 6.972229266e+01 6.972229266e+01 1.52 6.455311524e+01 6.455311524e+01 1.54 5.976456842e+01 5.976456842e+01 1.56 5.532236190e+01 5.532236190e+01 1.58 5.109616684e+01 5.109616684e+01 1.60 4.706085760e+01 4.706085760e+01 1.62 4.334950324e+01 4.334950324e+01 1.64 4.002043056e+01 4.002043056e+01 1.66 3.692182048e+01 3.692182048e+01 1.68 3.389320163e+01 3.389320163e+01 1.70 3.104744491e+01 3.104744491e+01 1.72 2.856678470e+01 2.856678470e+01 1.74 2.636925444e+01 2.636925444e+01 1.76 2.427305833e+01 2.427305833e+01 1.78 2.224976582e+01 2.224976582e+01 1.80 2.030221348e+01 2.030221348e+01 1.82 1.844607890e+01 1.844607890e+01 1.84 1.675234402e+01 1.675234402e+01 1.86 1.525194250e+01 1.525194250e+01 1.88 1.388991826e+01 1.388991826e+01 1.90 1.259928941e+01 1.259928941e+01 1.92 1.142779090e+01 1.142779090e+01 1.94 1.047517638e+01 1.047517638e+01 1.96 9.692877966e+00 9.692877966e+00 1.98 8.995109878e+00 8.995109878e+00 2.00 8.240680903e+00 8.240680903e+00 2.02 7.472618848e+00 7.472618848e+00 2.04 6.773107814e+00 6.773107814e+00 2.06 6.152124823e+00 6.152124823e+00 2.08 5.576374084e+00 5.576374084e+00 2.10 5.053578385e+00 5.053578385e+00 2.12 4.581311382e+00 4.581311382e+00 2.14 4.072576335e+00 4.072576335e+00 2.16 3.550963115e+00 3.550963115e+00 2.18 3.017919978e+00 3.017919978e+00 2.20 2.479936813e+00 2.479936813e+00 2.22 1.970085798e+00 1.970085798e+00 2.24 1.462037998e+00 1.462037998e+00 2.26 9.643932772e-01 9.643932772e-01 2.28 5.162104009e-01 5.162104009e-01 2.30 4.956182668e-02 4.956182668e-02 2.32 -6.189309933e-01 -6.189309933e-01 2.34 -1.249102102e+00 -1.249102102e+00 2.36 -1.934476016e+00 -1.934476016e+00 2.38 -2.620544749e+00 -2.620544749e+00 2.40 -3.237683700e+00 -3.237683700e+00 2.42 -3.740668176e+00 -3.740668176e+00 2.44 -4.144950476e+00 -4.144950476e+00 2.46 -4.506629563e+00 -4.506629563e+00 2.48 -4.866323939e+00 -4.866323939e+00 2.50 -5.208721499e+00 -5.208721499e+00 2.52 -5.501771833e+00 -5.501771833e+00 2.54 -5.758729806e+00 -5.758729806e+00 2.56 -5.968887659e+00 -5.968887659e+00 2.58 -6.144590808e+00 -6.144590808e+00 2.60 -6.300378333e+00 -6.300378333e+00 2.62 -6.456593506e+00 -6.456593506e+00 2.64 -6.611853195e+00 -6.611853195e+00 2.66 -6.751476856e+00 -6.751476856e+00 2.68 -6.866247155e+00 -6.866247155e+00 2.70 -6.951100563e+00 -6.951100563e+00 2.72 -7.012385267e+00 -7.012385267e+00 2.74 -7.054634796e+00 -7.054634796e+00 2.76 -7.090666381e+00 -7.090666381e+00 2.78 -7.124518020e+00 -7.124518020e+00 2.80 -7.152876093e+00 -7.152876093e+00 2.82 -7.174829614e+00 -7.174829614e+00 2.84 -7.188134406e+00 -7.188134406e+00 2.86 -7.184273843e+00 -7.184273843e+00 2.88 -7.165571956e+00 -7.165571956e+00 2.90 -7.133025199e+00 -7.133025199e+00 2.92 -7.077602352e+00 -7.077602352e+00 2.94 -7.017386168e+00 -7.017386168e+00 2.96 -6.956747530e+00 -6.956747530e+00 2.98 -6.893821602e+00 -6.893821602e+00 3.00 -6.836770810e+00 -6.836770810e+00 3.02 -6.770819211e+00 -6.770819211e+00 3.04 -6.686740279e+00 -6.686740279e+00 3.06 -6.604223169e+00 -6.604223169e+00 3.08 -6.523100926e+00 -6.523100926e+00 3.10 -6.435384768e+00 -6.435384768e+00 3.12 -6.340760298e+00 -6.340760298e+00 3.14 -6.240802870e+00 -6.240802870e+00 3.16 -6.118602308e+00 -6.118602308e+00 3.18 -5.998809745e+00 -5.998809745e+00 3.20 -5.918856617e+00 -5.918856617e+00 3.22 -5.879222112e+00 -5.879222112e+00 3.24 -5.861140619e+00 -5.861140619e+00 3.26 -5.853978053e+00 -5.853978053e+00 3.28 -5.859303484e+00 -5.859303484e+00 3.30 -5.855959389e+00 -5.855959389e+00 3.32 -5.800642165e+00 -5.800642165e+00 3.34 -5.726771634e+00 -5.726771634e+00 3.36 -5.652342173e+00 -5.652342173e+00 3.38 -5.585212284e+00 -5.585212284e+00 3.40 -5.549736971e+00 -5.549736971e+00 3.42 -5.495333645e+00 -5.495333645e+00 3.44 -5.377731635e+00 -5.377731635e+00 3.46 -5.244896386e+00 -5.244896386e+00 3.48 -5.107403299e+00 -5.107403299e+00 3.50 -4.968002213e+00 -4.968002213e+00 3.52 -4.835023806e+00 -4.835023806e+00 3.54 -4.718810904e+00 -4.718810904e+00 3.56 -4.630637950e+00 -4.630637950e+00 3.58 -4.570156472e+00 -4.570156472e+00 3.60 -4.523947404e+00 -4.523947404e+00 3.62 -4.476981032e+00 -4.476981032e+00 3.64 -4.413712839e+00 -4.413712839e+00 3.66 -4.328516683e+00 -4.328516683e+00 3.68 -4.230696945e+00 -4.230696945e+00 3.70 -4.131786937e+00 -4.131786937e+00 3.72 -4.044894437e+00 -4.044894437e+00 3.74 -3.978521179e+00 -3.978521179e+00 3.76 -3.929604646e+00 -3.929604646e+00 3.78 -3.890949572e+00 -3.890949572e+00 3.80 -3.843007457e+00 -3.843007457e+00 3.82 -3.751561685e+00 -3.751561685e+00 3.84 -3.648767777e+00 -3.648767777e+00 3.86 -3.523813020e+00 -3.523813020e+00 3.88 -3.314399151e+00 -3.314399151e+00 3.90 -3.077032720e+00 -3.077032720e+00 3.92 -2.854784122e+00 -2.854784122e+00 3.94 -2.692071814e+00 -2.692071814e+00 3.96 -2.609540021e+00 -2.609540021e+00 3.98 -2.546355311e+00 -2.546355311e+00 4.00 -2.484994849e+00 -2.484994849e+00 4.02 -2.433152700e+00 -2.433152700e+00 4.04 -2.392498185e+00 -2.392498185e+00 4.06 -2.358153724e+00 -2.358153724e+00 4.08 -2.325078285e+00 -2.325078285e+00 4.10 -2.290637559e+00 -2.290637559e+00 4.12 -2.254499721e+00 -2.254499721e+00 4.14 -2.218104239e+00 -2.218104239e+00 4.16 -2.183284377e+00 -2.183284377e+00 4.18 -2.151978008e+00 -2.151978008e+00 4.20 -2.125954901e+00 -2.125954901e+00 4.22 -2.106366786e+00 -2.106366786e+00 4.24 -2.093356639e+00 -2.093356639e+00 4.26 -2.086292119e+00 -2.086292119e+00 4.28 -2.084287095e+00 -2.084287095e+00 4.30 -2.086280640e+00 -2.086280640e+00 4.32 -2.091083957e+00 -2.091083957e+00 4.34 -2.097512407e+00 -2.097512407e+00 4.36 -2.104462271e+00 -2.104462271e+00 4.38 -2.110769687e+00 -2.110769687e+00 4.40 -2.115366524e+00 -2.115366524e+00 4.42 -2.117369209e+00 -2.117369209e+00 4.44 -2.116070059e+00 -2.116070059e+00 4.46 -2.111053405e+00 -2.111053405e+00 4.48 -2.102759002e+00 -2.102759002e+00 4.50 -2.092320266e+00 -2.092320266e+00 4.52 -2.080918226e+00 -2.080918226e+00 4.54 -2.069686819e+00 -2.069686819e+00 4.56 -2.059706173e+00 -2.059706173e+00 4.58 -2.051502435e+00 -2.051502435e+00 4.60 -2.044487765e+00 -2.044487765e+00 4.62 -2.037446605e+00 -2.037446605e+00 4.64 -2.028799613e+00 -2.028799613e+00 4.66 -2.017146079e+00 -2.017146079e+00 4.68 -2.001324730e+00 -2.001324730e+00 4.70 -1.981118126e+00 -1.981118126e+00 4.72 -1.957452714e+00 -1.957452714e+00 4.74 -1.931436630e+00 -1.931436630e+00 4.76 -1.904112381e+00 -1.904112381e+00 4.78 -1.876517528e+00 -1.876517528e+00 4.80 -1.849620964e+00 -1.849620964e+00 4.82 -1.823017469e+00 -1.823017469e+00 4.84 -1.795113875e+00 -1.795113875e+00 4.86 -1.764123055e+00 -1.764123055e+00 4.88 -1.728327945e+00 -1.728327945e+00 4.90 -1.686492063e+00 -1.686492063e+00 4.92 -1.637746586e+00 -1.637746586e+00 4.94 -1.584636604e+00 -1.584636604e+00 4.96 -1.531680071e+00 -1.531680071e+00 4.98 -1.482996562e+00 -1.482996562e+00 5.00 -1.442723873e+00 -1.442723873e+00 5.02 -1.416218706e+00 -1.416218706e+00 5.04 -1.407120447e+00 -1.407120447e+00 5.06 -1.410827399e+00 -1.410827399e+00 5.08 -1.419769616e+00 -1.419769616e+00 5.10 -1.426653391e+00 -1.426653391e+00 5.12 -1.424757335e+00 -1.424757335e+00 5.14 -1.407507921e+00 -1.407507921e+00 5.16 -1.371051408e+00 -1.371051408e+00 5.18 -1.317589982e+00 -1.317589982e+00 5.20 -1.252377621e+00 -1.252377621e+00 5.22 -1.184997703e+00 -1.184997703e+00 5.24 -1.125229460e+00 -1.125229460e+00 5.26 -1.075059423e+00 -1.075059423e+00 5.28 -1.033996016e+00 -1.033996016e+00 5.30 -1.002891427e+00 -1.002891427e+00 5.32 -9.809797957e-01 -9.809797957e-01 5.34 -9.654539805e-01 -9.654539805e-01 5.36 -9.525867913e-01 -9.525867913e-01 5.38 -9.388810122e-01 -9.388810122e-01 5.40 -9.230256288e-01 -9.230256288e-01 5.42 -9.046606969e-01 -9.046606969e-01 5.44 -8.839590471e-01 -8.839590471e-01 5.46 -8.612297514e-01 -8.612297514e-01 5.48 -8.368555122e-01 -8.368555122e-01 5.50 -8.112740834e-01 -8.112740834e-01 5.52 -7.849560036e-01 -7.849560036e-01 5.54 -7.583575279e-01 -7.583575279e-01 5.56 -7.313991832e-01 -7.313991832e-01 5.58 -7.035283146e-01 -7.035283146e-01 5.60 -6.740897496e-01 -6.740897496e-01 5.62 -6.424037802e-01 -6.424037802e-01 5.64 -6.077983966e-01 -6.077983966e-01 5.66 -5.696241982e-01 -5.696241982e-01 5.68 -5.274682220e-01 -5.274682220e-01 5.70 -4.828450177e-01 -4.828450177e-01 5.72 -4.385529443e-01 -4.385529443e-01 5.74 -3.964508775e-01 -3.964508775e-01 5.76 -3.582858600e-01 -3.582858600e-01 5.78 -3.259225980e-01 -3.259225980e-01 5.80 -3.011748637e-01 -3.011748637e-01 5.82 -2.848774569e-01 -2.848774569e-01 5.84 -2.754417078e-01 -2.754417078e-01 5.86 -2.708261524e-01 -2.708261524e-01 5.88 -2.689836602e-01 -2.689836602e-01 5.90 -2.679326763e-01 -2.679326763e-01 5.92 -2.657760439e-01 -2.657760439e-01 5.94 -2.606709600e-01 -2.606709600e-01 5.96 -2.514777172e-01 -2.514777172e-01 5.98 -2.382444982e-01 -2.382444982e-01 6.00 -2.211519730e-01 -2.211519730e-01