# 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 = MoTaW2 # 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 3.488965854e+02 3.488965854e+02 1.08 3.227995829e+02 3.227995829e+02 1.10 2.995850833e+02 2.995850833e+02 1.12 2.784872209e+02 2.784872209e+02 1.14 2.598077892e+02 2.598077892e+02 1.16 2.429175738e+02 2.429175738e+02 1.18 2.272183507e+02 2.272183507e+02 1.20 2.122611651e+02 2.122611651e+02 1.22 1.984379612e+02 1.984379612e+02 1.24 1.858546452e+02 1.858546452e+02 1.26 1.740919726e+02 1.740919726e+02 1.28 1.631349796e+02 1.631349796e+02 1.30 1.532104457e+02 1.532104457e+02 1.32 1.442413386e+02 1.442413386e+02 1.34 1.360632781e+02 1.360632781e+02 1.36 1.282991302e+02 1.282991302e+02 1.38 1.211016842e+02 1.211016842e+02 1.40 1.145398414e+02 1.145398414e+02 1.42 1.083843455e+02 1.083843455e+02 1.44 1.024189018e+02 1.024189018e+02 1.46 9.661390915e+01 9.661390915e+01 1.48 9.117622451e+01 9.117622451e+01 1.50 8.608495145e+01 8.608495145e+01 1.52 8.117626580e+01 8.117626580e+01 1.54 7.645903890e+01 7.645903890e+01 1.56 7.200893965e+01 7.200893965e+01 1.58 6.780169634e+01 6.780169634e+01 1.60 6.377310165e+01 6.377310165e+01 1.62 5.989054289e+01 5.989054289e+01 1.64 5.616976487e+01 5.616976487e+01 1.66 5.271046188e+01 5.271046188e+01 1.68 4.957788132e+01 4.957788132e+01 1.70 4.668886892e+01 4.668886892e+01 1.72 4.387098730e+01 4.387098730e+01 1.74 4.094834640e+01 4.094834640e+01 1.76 3.810221489e+01 3.810221489e+01 1.78 3.538301894e+01 3.538301894e+01 1.80 3.281065187e+01 3.281065187e+01 1.82 3.038939229e+01 3.038939229e+01 1.84 2.815553972e+01 2.815553972e+01 1.86 2.602166407e+01 2.602166407e+01 1.88 2.401719278e+01 2.401719278e+01 1.90 2.212224335e+01 2.212224335e+01 1.92 2.030352699e+01 2.030352699e+01 1.94 1.853844254e+01 1.853844254e+01 1.96 1.679057268e+01 1.679057268e+01 1.98 1.506943606e+01 1.506943606e+01 2.00 1.336334258e+01 1.336334258e+01 2.02 1.169533680e+01 1.169533680e+01 2.04 1.014916748e+01 1.014916748e+01 2.06 8.742091880e+00 8.742091880e+00 2.08 7.476352500e+00 7.476352500e+00 2.10 6.349072638e+00 6.349072638e+00 2.12 5.345096787e+00 5.345096787e+00 2.14 4.428038089e+00 4.428038089e+00 2.16 3.574655338e+00 3.574655338e+00 2.18 2.813649020e+00 2.813649020e+00 2.20 2.047557695e+00 2.047557695e+00 2.22 1.344056981e+00 1.344056981e+00 2.24 7.152723032e-01 7.152723032e-01 2.26 1.687905893e-01 1.687905893e-01 2.28 -3.036229303e-01 -3.036229303e-01 2.30 -7.258282638e-01 -7.258282638e-01 2.32 -1.121035224e+00 -1.121035224e+00 2.34 -1.802896172e+00 -1.802896172e+00 2.36 -2.754263781e+00 -2.754263781e+00 2.38 -3.614488910e+00 -3.614488910e+00 2.40 -4.314726201e+00 -4.314726201e+00 2.42 -4.886113921e+00 -4.886113921e+00 2.44 -5.358340976e+00 -5.358340976e+00 2.46 -5.752524930e+00 -5.752524930e+00 2.48 -6.087638225e+00 -6.087638225e+00 2.50 -6.390762875e+00 -6.390762875e+00 2.52 -6.674054483e+00 -6.674054483e+00 2.54 -6.947855566e+00 -6.947855566e+00 2.56 -7.218172234e+00 -7.218172234e+00 2.58 -7.446327358e+00 -7.446327358e+00 2.60 -7.648258784e+00 -7.648258784e+00 2.62 -7.806772463e+00 -7.806772463e+00 2.64 -7.913751683e+00 -7.913751683e+00 2.66 -7.989647814e+00 -7.989647814e+00 2.68 -8.056324354e+00 -8.056324354e+00 2.70 -8.113279895e+00 -8.113279895e+00 2.72 -8.160169835e+00 -8.160169835e+00 2.74 -8.195280094e+00 -8.195280094e+00 2.76 -8.214810783e+00 -8.214810783e+00 2.78 -8.215847603e+00 -8.215847603e+00 2.80 -8.197033040e+00 -8.197033040e+00 2.82 -8.161900552e+00 -8.161900552e+00 2.84 -8.110796222e+00 -8.110796222e+00 2.86 -8.048739404e+00 -8.048739404e+00 2.88 -7.980519869e+00 -7.980519869e+00 2.90 -7.907813160e+00 -7.907813160e+00 2.92 -7.830235321e+00 -7.830235321e+00 2.94 -7.742513612e+00 -7.742513612e+00 2.96 -7.634384486e+00 -7.634384486e+00 2.98 -7.504504652e+00 -7.504504652e+00 3.00 -7.366214222e+00 -7.366214222e+00 3.02 -7.238220098e+00 -7.238220098e+00 3.04 -7.142029979e+00 -7.142029979e+00 3.06 -7.074848759e+00 -7.074848759e+00 3.08 -7.017653826e+00 -7.017653826e+00 3.10 -6.952839541e+00 -6.952839541e+00 3.12 -6.862758342e+00 -6.862758342e+00 3.14 -6.752371909e+00 -6.752371909e+00 3.16 -6.640478837e+00 -6.640478837e+00 3.18 -6.550559438e+00 -6.550559438e+00 3.20 -6.484347622e+00 -6.484347622e+00 3.22 -6.424116864e+00 -6.424116864e+00 3.24 -6.362104345e+00 -6.362104345e+00 3.26 -6.277916857e+00 -6.277916857e+00 3.28 -6.193552576e+00 -6.193552576e+00 3.30 -6.108592422e+00 -6.108592422e+00 3.32 -6.019391194e+00 -6.019391194e+00 3.34 -5.922994341e+00 -5.922994341e+00 3.36 -5.853341295e+00 -5.853341295e+00 3.38 -5.782903396e+00 -5.782903396e+00 3.40 -5.656671742e+00 -5.656671742e+00 3.42 -5.518445209e+00 -5.518445209e+00 3.44 -5.396591937e+00 -5.396591937e+00 3.46 -5.284885923e+00 -5.284885923e+00 3.48 -5.177149222e+00 -5.177149222e+00 3.50 -5.074614871e+00 -5.074614871e+00 3.52 -4.984828596e+00 -4.984828596e+00 3.54 -4.917041701e+00 -4.917041701e+00 3.56 -4.880846952e+00 -4.880846952e+00 3.58 -4.873981235e+00 -4.873981235e+00 3.60 -4.881719260e+00 -4.881719260e+00 3.62 -4.888526799e+00 -4.888526799e+00 3.64 -4.879066744e+00 -4.879066744e+00 3.66 -4.848152230e+00 -4.848152230e+00 3.68 -4.803826470e+00 -4.803826470e+00 3.70 -4.754421244e+00 -4.754421244e+00 3.72 -4.706992420e+00 -4.706992420e+00 3.74 -4.662030913e+00 -4.662030913e+00 3.76 -4.613620568e+00 -4.613620568e+00 3.78 -4.555452221e+00 -4.555452221e+00 3.80 -4.476128362e+00 -4.476128362e+00 3.82 -4.360977782e+00 -4.360977782e+00 3.84 -4.203176782e+00 -4.203176782e+00 3.86 -3.996612958e+00 -3.996612958e+00 3.88 -3.762823777e+00 -3.762823777e+00 3.90 -3.531574688e+00 -3.531574688e+00 3.92 -3.266321691e+00 -3.266321691e+00 3.94 -3.047196792e+00 -3.047196792e+00 3.96 -2.858168048e+00 -2.858168048e+00 3.98 -2.694814767e+00 -2.694814767e+00 4.00 -2.567793087e+00 -2.567793087e+00 4.02 -2.466617751e+00 -2.466617751e+00 4.04 -2.377648429e+00 -2.377648429e+00 4.06 -2.293067759e+00 -2.293067759e+00 4.08 -2.211175311e+00 -2.211175311e+00 4.10 -2.132391009e+00 -2.132391009e+00 4.12 -2.057933581e+00 -2.057933581e+00 4.14 -1.989813359e+00 -1.989813359e+00 4.16 -1.930003414e+00 -1.930003414e+00 4.18 -1.880710209e+00 -1.880710209e+00 4.20 -1.844077464e+00 -1.844077464e+00 4.22 -1.821137119e+00 -1.821137119e+00 4.24 -1.811058260e+00 -1.811058260e+00 4.26 -1.812166531e+00 -1.812166531e+00 4.28 -1.822713610e+00 -1.822713610e+00 4.30 -1.840904653e+00 -1.840904653e+00 4.32 -1.864910092e+00 -1.864910092e+00 4.34 -1.892881440e+00 -1.892881440e+00 4.36 -1.923152001e+00 -1.923152001e+00 4.38 -1.954079925e+00 -1.954079925e+00 4.40 -1.984001833e+00 -1.984001833e+00 4.42 -2.011226513e+00 -2.011226513e+00 4.44 -2.034030696e+00 -2.034030696e+00 4.46 -2.050563794e+00 -2.050563794e+00 4.48 -2.060174894e+00 -2.060174894e+00 4.50 -2.064734429e+00 -2.064734429e+00 4.52 -2.066451624e+00 -2.066451624e+00 4.54 -2.067565429e+00 -2.067565429e+00 4.56 -2.070341706e+00 -2.070341706e+00 4.58 -2.076775191e+00 -2.076775191e+00 4.60 -2.087989330e+00 -2.087989330e+00 4.62 -2.102841938e+00 -2.102841938e+00 4.64 -2.118236056e+00 -2.118236056e+00 4.66 -2.131025763e+00 -2.131025763e+00 4.68 -2.138228011e+00 -2.138228011e+00 4.70 -2.137875716e+00 -2.137875716e+00 4.72 -2.129304828e+00 -2.129304828e+00 4.74 -2.112377225e+00 -2.112377225e+00 4.76 -2.089323305e+00 -2.089323305e+00 4.78 -2.063431552e+00 -2.063431552e+00 4.80 -2.037919671e+00 -2.037919671e+00 4.82 -2.014661750e+00 -2.014661750e+00 4.84 -1.994425654e+00 -1.994425654e+00 4.86 -1.977893674e+00 -1.977893674e+00 4.88 -1.964875446e+00 -1.964875446e+00 4.90 -1.952660926e+00 -1.952660926e+00 4.92 -1.938205029e+00 -1.938205029e+00 4.94 -1.920807688e+00 -1.920807688e+00 4.96 -1.901084082e+00 -1.901084082e+00 4.98 -1.879897752e+00 -1.879897752e+00 5.00 -1.858493863e+00 -1.858493863e+00 5.02 -1.839731071e+00 -1.839731071e+00 5.04 -1.827060306e+00 -1.827060306e+00 5.06 -1.818603555e+00 -1.818603555e+00 5.08 -1.810792043e+00 -1.810792043e+00 5.10 -1.800054663e+00 -1.800054663e+00 5.12 -1.782871944e+00 -1.782871944e+00 5.14 -1.755580847e+00 -1.755580847e+00 5.16 -1.715489692e+00 -1.715489692e+00 5.18 -1.664689693e+00 -1.664689693e+00 5.20 -1.606307081e+00 -1.606307081e+00 5.22 -1.542902074e+00 -1.542902074e+00 5.24 -1.477059118e+00 -1.477059118e+00 5.26 -1.412954753e+00 -1.412954753e+00 5.28 -1.354943046e+00 -1.354943046e+00 5.30 -1.303882395e+00 -1.303882395e+00 5.32 -1.259107764e+00 -1.259107764e+00 5.34 -1.219580037e+00 -1.219580037e+00 5.36 -1.184146444e+00 -1.184146444e+00 5.38 -1.150676554e+00 -1.150676554e+00 5.40 -1.114720236e+00 -1.114720236e+00 5.42 -1.076377225e+00 -1.076377225e+00 5.44 -1.036913595e+00 -1.036913595e+00 5.46 -9.974857052e-01 -9.974857052e-01 5.48 -9.587559975e-01 -9.587559975e-01 5.50 -9.213728572e-01 -9.213728572e-01 5.52 -8.861964747e-01 -8.861964747e-01 5.54 -8.542859613e-01 -8.542859613e-01 5.56 -8.258785360e-01 -8.258785360e-01 5.58 -8.004403053e-01 -8.004403053e-01 5.60 -7.774960262e-01 -7.774960262e-01 5.62 -7.565543421e-01 -7.565543421e-01 5.64 -7.369941709e-01 -7.369941709e-01 5.66 -7.179525869e-01 -7.179525869e-01 5.68 -6.984182009e-01 -6.984182009e-01 5.70 -6.785298812e-01 -6.785298812e-01 5.72 -6.592822841e-01 -6.592822841e-01 5.74 -6.420086366e-01 -6.420086366e-01 5.76 -6.283596092e-01 -6.283596092e-01 5.78 -6.201891283e-01 -6.201891283e-01 5.80 -6.193985603e-01 -6.193985603e-01 5.82 -6.267382830e-01 -6.267382830e-01 5.84 -6.398009563e-01 -6.398009563e-01 5.86 -6.555218627e-01 -6.555218627e-01 5.88 -6.708182349e-01 -6.708182349e-01 5.90 -6.826001561e-01 -6.826001561e-01 5.92 -6.877655662e-01 -6.877655662e-01 5.94 -6.832676444e-01 -6.832676444e-01 5.96 -6.681124901e-01 -6.681124901e-01 5.98 -6.437979750e-01 -6.437979750e-01 6.00 -6.117177779e-01 -6.117177779e-01