# 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 = TaW2Zr # 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 3.116857489e+02 3.116857489e+02 1.08 2.910329102e+02 2.910329102e+02 1.10 2.718884333e+02 2.718884333e+02 1.12 2.542807327e+02 2.542807327e+02 1.14 2.377906635e+02 2.377906635e+02 1.16 2.224880921e+02 2.224880921e+02 1.18 2.086537182e+02 2.086537182e+02 1.20 1.955940853e+02 1.955940853e+02 1.22 1.832029060e+02 1.832029060e+02 1.24 1.716821062e+02 1.716821062e+02 1.26 1.608902299e+02 1.608902299e+02 1.28 1.508213929e+02 1.508213929e+02 1.30 1.415966951e+02 1.415966951e+02 1.32 1.331445396e+02 1.331445396e+02 1.34 1.254363864e+02 1.254363864e+02 1.36 1.181032760e+02 1.181032760e+02 1.38 1.112285598e+02 1.112285598e+02 1.40 1.047798054e+02 1.047798054e+02 1.42 9.876678263e+01 9.876678263e+01 1.44 9.311170757e+01 9.311170757e+01 1.46 8.765026221e+01 8.765026221e+01 1.48 8.242182510e+01 8.242182510e+01 1.50 7.739374773e+01 7.739374773e+01 1.52 7.262594531e+01 7.262594531e+01 1.54 6.823158515e+01 6.823158515e+01 1.56 6.416587718e+01 6.416587718e+01 1.58 6.027823623e+01 6.027823623e+01 1.60 5.653673127e+01 5.653673127e+01 1.62 5.299282494e+01 5.299282494e+01 1.64 4.968753778e+01 4.968753778e+01 1.66 4.659455572e+01 4.659455572e+01 1.68 4.363997668e+01 4.363997668e+01 1.70 4.084938316e+01 4.084938316e+01 1.72 3.820049882e+01 3.820049882e+01 1.74 3.549462317e+01 3.549462317e+01 1.76 3.288715448e+01 3.288715448e+01 1.78 3.043445377e+01 3.043445377e+01 1.80 2.811465157e+01 2.811465157e+01 1.82 2.595092406e+01 2.595092406e+01 1.84 2.395540948e+01 2.395540948e+01 1.86 2.211995573e+01 2.211995573e+01 1.88 2.040970493e+01 2.040970493e+01 1.90 1.877667319e+01 1.877667319e+01 1.92 1.723999636e+01 1.723999636e+01 1.94 1.586772231e+01 1.586772231e+01 1.96 1.464230415e+01 1.464230415e+01 1.98 1.348148506e+01 1.348148506e+01 2.00 1.231569250e+01 1.231569250e+01 2.02 1.117550027e+01 1.117550027e+01 2.04 1.010509291e+01 1.010509291e+01 2.06 9.126150534e+00 9.126150534e+00 2.08 8.234722349e+00 8.234722349e+00 2.10 7.430928904e+00 7.430928904e+00 2.12 6.674573962e+00 6.674573962e+00 2.14 5.890292347e+00 5.890292347e+00 2.16 5.108090968e+00 5.108090968e+00 2.18 4.377503506e+00 4.377503506e+00 2.20 3.614914721e+00 3.614914721e+00 2.22 2.894252261e+00 2.894252261e+00 2.24 2.222937438e+00 2.222937438e+00 2.26 1.597004974e+00 1.597004974e+00 2.28 1.013349613e+00 1.013349613e+00 2.30 4.746018927e-01 4.746018927e-01 2.32 -1.581277508e-02 -1.581277508e-02 2.34 -6.768673863e-01 -6.768673863e-01 2.36 -1.482500898e+00 -1.482500898e+00 2.38 -2.342978226e+00 -2.342978226e+00 2.40 -3.095217336e+00 -3.095217336e+00 2.42 -3.731132557e+00 -3.731132557e+00 2.44 -4.259626097e+00 -4.259626097e+00 2.46 -4.716313945e+00 -4.716313945e+00 2.48 -5.131506065e+00 -5.131506065e+00 2.50 -5.520143906e+00 -5.520143906e+00 2.52 -5.878302288e+00 -5.878302288e+00 2.54 -6.201546825e+00 -6.201546825e+00 2.56 -6.490562170e+00 -6.490562170e+00 2.58 -6.730182327e+00 -6.730182327e+00 2.60 -6.941242563e+00 -6.941242563e+00 2.62 -7.137232665e+00 -7.137232665e+00 2.64 -7.313540940e+00 -7.313540940e+00 2.66 -7.474887956e+00 -7.474887956e+00 2.68 -7.610737435e+00 -7.610737435e+00 2.70 -7.727610947e+00 -7.727610947e+00 2.72 -7.821861629e+00 -7.821861629e+00 2.74 -7.895235141e+00 -7.895235141e+00 2.76 -7.949809168e+00 -7.949809168e+00 2.78 -7.988739408e+00 -7.988739408e+00 2.80 -8.014367291e+00 -8.014367291e+00 2.82 -8.027578897e+00 -8.027578897e+00 2.84 -8.031274751e+00 -8.031274751e+00 2.86 -8.027323023e+00 -8.027323023e+00 2.88 -8.007635429e+00 -8.007635429e+00 2.90 -7.969516231e+00 -7.969516231e+00 2.92 -7.922983063e+00 -7.922983063e+00 2.94 -7.871000374e+00 -7.871000374e+00 2.96 -7.813748970e+00 -7.813748970e+00 2.98 -7.750276733e+00 -7.750276733e+00 3.00 -7.683514323e+00 -7.683514323e+00 3.02 -7.618014746e+00 -7.618014746e+00 3.04 -7.551537602e+00 -7.551537602e+00 3.06 -7.482167393e+00 -7.482167393e+00 3.08 -7.412935033e+00 -7.412935033e+00 3.10 -7.345506257e+00 -7.345506257e+00 3.12 -7.276764116e+00 -7.276764116e+00 3.14 -7.205721948e+00 -7.205721948e+00 3.16 -7.137562085e+00 -7.137562085e+00 3.18 -7.076232364e+00 -7.076232364e+00 3.20 -7.022276119e+00 -7.022276119e+00 3.22 -6.975335710e+00 -6.975335710e+00 3.24 -6.929377323e+00 -6.929377323e+00 3.26 -6.884480902e+00 -6.884480902e+00 3.28 -6.836660840e+00 -6.836660840e+00 3.30 -6.765182463e+00 -6.765182463e+00 3.32 -6.693350864e+00 -6.693350864e+00 3.34 -6.612241342e+00 -6.612241342e+00 3.36 -6.531043309e+00 -6.531043309e+00 3.38 -6.468078445e+00 -6.468078445e+00 3.40 -6.400034231e+00 -6.400034231e+00 3.42 -6.317130679e+00 -6.317130679e+00 3.44 -6.197744988e+00 -6.197744988e+00 3.46 -6.065328834e+00 -6.065328834e+00 3.48 -5.934629940e+00 -5.934629940e+00 3.50 -5.808414231e+00 -5.808414231e+00 3.52 -5.695006277e+00 -5.695006277e+00 3.54 -5.603487904e+00 -5.603487904e+00 3.56 -5.542235147e+00 -5.542235147e+00 3.58 -5.508622205e+00 -5.508622205e+00 3.60 -5.488613023e+00 -5.488613023e+00 3.62 -5.467483230e+00 -5.467483230e+00 3.64 -5.430784773e+00 -5.430784773e+00 3.66 -5.373359737e+00 -5.373359737e+00 3.68 -5.302894666e+00 -5.302894666e+00 3.70 -5.228394167e+00 -5.228394167e+00 3.72 -5.159059769e+00 -5.159059769e+00 3.74 -5.099958199e+00 -5.099958199e+00 3.76 -5.048731213e+00 -5.048731213e+00 3.78 -5.002136302e+00 -5.002136302e+00 3.80 -4.952829227e+00 -4.952829227e+00 3.82 -4.862762114e+00 -4.862762114e+00 3.84 -4.729478684e+00 -4.729478684e+00 3.86 -4.583154038e+00 -4.583154038e+00 3.88 -4.350772023e+00 -4.350772023e+00 3.90 -4.050600613e+00 -4.050600613e+00 3.92 -3.766262796e+00 -3.766262796e+00 3.94 -3.472681962e+00 -3.472681962e+00 3.96 -3.265135042e+00 -3.265135042e+00 3.98 -3.125221497e+00 -3.125221497e+00 4.00 -2.997056156e+00 -2.997056156e+00 4.02 -2.879069060e+00 -2.879069060e+00 4.04 -2.777685562e+00 -2.777685562e+00 4.06 -2.688723776e+00 -2.688723776e+00 4.08 -2.605063205e+00 -2.605063205e+00 4.10 -2.522793830e+00 -2.522793830e+00 4.12 -2.442253972e+00 -2.442253972e+00 4.14 -2.366376961e+00 -2.366376961e+00 4.16 -2.297720399e+00 -2.297720399e+00 4.18 -2.238485222e+00 -2.238485222e+00 4.20 -2.190508080e+00 -2.190508080e+00 4.22 -2.154456006e+00 -2.154456006e+00 4.24 -2.129456720e+00 -2.129456720e+00 4.26 -2.113993650e+00 -2.113993650e+00 4.28 -2.106527433e+00 -2.106527433e+00 4.30 -2.105507211e+00 -2.105507211e+00 4.32 -2.109370522e+00 -2.109370522e+00 4.34 -2.116548155e+00 -2.116548155e+00 4.36 -2.125649635e+00 -2.125649635e+00 4.38 -2.135358371e+00 -2.135358371e+00 4.40 -2.144340080e+00 -2.144340080e+00 4.42 -2.151221811e+00 -2.151221811e+00 4.44 -2.154602840e+00 -2.154602840e+00 4.46 -2.153165817e+00 -2.153165817e+00 4.48 -2.146744265e+00 -2.146744265e+00 4.50 -2.136896708e+00 -2.136896708e+00 4.52 -2.125410925e+00 -2.125410925e+00 4.54 -2.114090141e+00 -2.114090141e+00 4.56 -2.104748154e+00 -2.104748154e+00 4.58 -2.098834510e+00 -2.098834510e+00 4.60 -2.096941172e+00 -2.096941172e+00 4.62 -2.098214796e+00 -2.098214796e+00 4.64 -2.100561594e+00 -2.100561594e+00 4.66 -2.101826506e+00 -2.101826506e+00 4.68 -2.099947013e+00 -2.099947013e+00 4.70 -2.093584987e+00 -2.093584987e+00 4.72 -2.082333442e+00 -2.082333442e+00 4.74 -2.066225460e+00 -2.066225460e+00 4.76 -2.046472732e+00 -2.046472732e+00 4.78 -2.024734601e+00 -2.024734601e+00 4.80 -2.002572717e+00 -2.002572717e+00 4.82 -1.980422560e+00 -1.980422560e+00 4.84 -1.957829496e+00 -1.957829496e+00 4.86 -1.934249494e+00 -1.934249494e+00 4.88 -1.908782022e+00 -1.908782022e+00 4.90 -1.879767864e+00 -1.879767864e+00 4.92 -1.845679024e+00 -1.845679024e+00 4.94 -1.807537295e+00 -1.807537295e+00 4.96 -1.767745830e+00 -1.767745830e+00 4.98 -1.728938950e+00 -1.728938950e+00 5.00 -1.693961353e+00 -1.693961353e+00 5.02 -1.666288998e+00 -1.666288998e+00 5.04 -1.648648628e+00 -1.648648628e+00 5.06 -1.638366919e+00 -1.638366919e+00 5.08 -1.631019853e+00 -1.631019853e+00 5.10 -1.622109910e+00 -1.622109910e+00 5.12 -1.607133452e+00 -1.607133452e+00 5.14 -1.581429876e+00 -1.581429876e+00 5.16 -1.542007368e+00 -1.542007368e+00 5.18 -1.491021624e+00 -1.491021624e+00 5.20 -1.431949770e+00 -1.431949770e+00 5.22 -1.368695855e+00 -1.368695855e+00 5.24 -1.304069167e+00 -1.304069167e+00 5.26 -1.241626796e+00 -1.241626796e+00 5.28 -1.185350676e+00 -1.185350676e+00 5.30 -1.136662796e+00 -1.136662796e+00 5.32 -1.094979745e+00 -1.094979745e+00 5.34 -1.058803154e+00 -1.058803154e+00 5.36 -1.026393813e+00 -1.026393813e+00 5.38 -9.961406351e-01 -9.961406351e-01 5.40 -9.661796746e-01 -9.661796746e-01 5.42 -9.365097078e-01 -9.365097078e-01 5.44 -9.072867730e-01 -9.072867730e-01 5.46 -8.785681097e-01 -8.785681097e-01 5.48 -8.505693860e-01 -8.505693860e-01 5.50 -8.237011387e-01 -8.237011387e-01 5.52 -7.985330891e-01 -7.985330891e-01 5.54 -7.757021129e-01 -7.757021129e-01 5.56 -7.551123680e-01 -7.551123680e-01 5.58 -7.360610300e-01 -7.360610300e-01 5.60 -7.177613418e-01 -7.177613418e-01 5.62 -6.993565970e-01 -6.993565970e-01 5.64 -6.799282463e-01 -6.799282463e-01 5.66 -6.584923739e-01 -6.584923739e-01 5.68 -6.343233426e-01 -6.343233426e-01 5.70 -6.083380726e-01 -6.083380726e-01 5.72 -5.820704689e-01 -5.820704689e-01 5.74 -5.571299155e-01 -5.571299155e-01 5.76 -5.352264512e-01 -5.352264512e-01 5.78 -5.181082567e-01 -5.181082567e-01 5.80 -5.075522117e-01 -5.075522117e-01 5.82 -5.041553040e-01 -5.041553040e-01 5.84 -5.057583414e-01 -5.057583414e-01 5.86 -5.097070888e-01 -5.097070888e-01 5.88 -5.133415046e-01 -5.133415046e-01 5.90 -5.140138363e-01 -5.140138363e-01 5.92 -5.090383967e-01 -5.090383967e-01 5.94 -4.957156604e-01 -4.957156604e-01 5.96 -4.730340465e-01 -4.730340465e-01 5.98 -4.418703161e-01 -4.418703161e-01 6.00 -4.030356315e-01 -4.030356315e-01