# 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 = MoTa2Ti # 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 6.213575832e+02 6.213575832e+02 1.08 5.578850918e+02 5.578850918e+02 1.10 5.001649721e+02 5.001649721e+02 1.12 4.480272541e+02 4.480272541e+02 1.14 4.011803917e+02 4.011803917e+02 1.16 3.588871003e+02 3.588871003e+02 1.18 3.209659071e+02 3.209659071e+02 1.20 2.873976444e+02 2.873976444e+02 1.22 2.577926723e+02 2.577926723e+02 1.24 2.317294192e+02 2.317294192e+02 1.26 2.092463820e+02 2.092463820e+02 1.28 1.902709358e+02 1.902709358e+02 1.30 1.735562598e+02 1.735562598e+02 1.32 1.583324395e+02 1.583324395e+02 1.34 1.444894181e+02 1.444894181e+02 1.36 1.319436439e+02 1.319436439e+02 1.38 1.205559918e+02 1.205559918e+02 1.40 1.101021332e+02 1.101021332e+02 1.42 1.003657013e+02 1.003657013e+02 1.44 9.141234009e+01 9.141234009e+01 1.46 8.320310390e+01 8.320310390e+01 1.48 7.572382027e+01 7.572382027e+01 1.50 6.899726976e+01 6.899726976e+01 1.52 6.298068036e+01 6.298068036e+01 1.54 5.750267017e+01 5.750267017e+01 1.56 5.247869758e+01 5.247869758e+01 1.58 4.785463452e+01 4.785463452e+01 1.60 4.357493879e+01 4.357493879e+01 1.62 3.962809488e+01 3.962809488e+01 1.64 3.604663696e+01 3.604663696e+01 1.66 3.279894498e+01 3.279894498e+01 1.68 2.980125805e+01 2.980125805e+01 1.70 2.701644121e+01 2.701644121e+01 1.72 2.445429928e+01 2.445429928e+01 1.74 2.214689617e+01 2.214689617e+01 1.76 2.008926164e+01 2.008926164e+01 1.78 1.823339250e+01 1.823339250e+01 1.80 1.653364145e+01 1.653364145e+01 1.82 1.500000738e+01 1.500000738e+01 1.84 1.363097323e+01 1.363097323e+01 1.86 1.240625138e+01 1.240625138e+01 1.88 1.133461107e+01 1.133461107e+01 1.90 1.037639793e+01 1.037639793e+01 1.92 9.489230495e+00 9.489230495e+00 1.94 8.679351435e+00 8.679351435e+00 1.96 7.926073237e+00 7.926073237e+00 1.98 7.238814583e+00 7.238814583e+00 2.00 6.596946224e+00 6.596946224e+00 2.02 6.013053725e+00 6.013053725e+00 2.04 5.410852529e+00 5.410852529e+00 2.06 4.780639448e+00 4.780639448e+00 2.08 4.140393164e+00 4.140393164e+00 2.10 3.518920378e+00 3.518920378e+00 2.12 2.987998968e+00 2.987998968e+00 2.14 2.448047029e+00 2.448047029e+00 2.16 1.926552915e+00 1.926552915e+00 2.18 1.407187947e+00 1.407187947e+00 2.20 8.864059651e-01 8.864059651e-01 2.22 3.777524008e-01 3.777524008e-01 2.24 -1.047529884e-01 -1.047529884e-01 2.26 -7.318797817e-01 -7.318797817e-01 2.28 -1.423030627e+00 -1.423030627e+00 2.30 -2.029916379e+00 -2.029916379e+00 2.32 -2.552166846e+00 -2.552166846e+00 2.34 -3.011569870e+00 -3.011569870e+00 2.36 -3.430172528e+00 -3.430172528e+00 2.38 -3.810373295e+00 -3.810373295e+00 2.40 -4.156478844e+00 -4.156478844e+00 2.42 -4.487927498e+00 -4.487927498e+00 2.44 -4.808360730e+00 -4.808360730e+00 2.46 -5.112549100e+00 -5.112549100e+00 2.48 -5.369729362e+00 -5.369729362e+00 2.50 -5.604968987e+00 -5.604968987e+00 2.52 -5.818199198e+00 -5.818199198e+00 2.54 -6.007633030e+00 -6.007633030e+00 2.56 -6.172398528e+00 -6.172398528e+00 2.58 -6.315640628e+00 -6.315640628e+00 2.60 -6.443019771e+00 -6.443019771e+00 2.62 -6.560455260e+00 -6.560455260e+00 2.64 -6.674324293e+00 -6.674324293e+00 2.66 -6.784411653e+00 -6.784411653e+00 2.68 -6.864182349e+00 -6.864182349e+00 2.70 -6.919675216e+00 -6.919675216e+00 2.72 -6.958441274e+00 -6.958441274e+00 2.74 -6.985711201e+00 -6.985711201e+00 2.76 -7.006750146e+00 -7.006750146e+00 2.78 -7.028883109e+00 -7.028883109e+00 2.80 -7.050412735e+00 -7.050412735e+00 2.82 -7.062713026e+00 -7.062713026e+00 2.84 -7.064389905e+00 -7.064389905e+00 2.86 -7.059974988e+00 -7.059974988e+00 2.88 -7.048533517e+00 -7.048533517e+00 2.90 -7.027900984e+00 -7.027900984e+00 2.92 -6.998854606e+00 -6.998854606e+00 2.94 -6.961280584e+00 -6.961280584e+00 2.96 -6.911736238e+00 -6.911736238e+00 2.98 -6.846128638e+00 -6.846128638e+00 3.00 -6.767742555e+00 -6.767742555e+00 3.02 -6.680775158e+00 -6.680775158e+00 3.04 -6.586578037e+00 -6.586578037e+00 3.06 -6.484227465e+00 -6.484227465e+00 3.08 -6.374796902e+00 -6.374796902e+00 3.10 -6.261461296e+00 -6.261461296e+00 3.12 -6.142742537e+00 -6.142742537e+00 3.14 -6.017532690e+00 -6.017532690e+00 3.16 -5.889981704e+00 -5.889981704e+00 3.18 -5.759955692e+00 -5.759955692e+00 3.20 -5.632762097e+00 -5.632762097e+00 3.22 -5.524204468e+00 -5.524204468e+00 3.24 -5.452489456e+00 -5.452489456e+00 3.26 -5.399886639e+00 -5.399886639e+00 3.28 -5.350229444e+00 -5.350229444e+00 3.30 -5.301518803e+00 -5.301518803e+00 3.32 -5.252281338e+00 -5.252281338e+00 3.34 -5.201765277e+00 -5.201765277e+00 3.36 -5.149354166e+00 -5.149354166e+00 3.38 -5.094231843e+00 -5.094231843e+00 3.40 -5.035305470e+00 -5.035305470e+00 3.42 -4.971867058e+00 -4.971867058e+00 3.44 -4.903756769e+00 -4.903756769e+00 3.46 -4.830613134e+00 -4.830613134e+00 3.48 -4.751613461e+00 -4.751613461e+00 3.50 -4.664046365e+00 -4.664046365e+00 3.52 -4.564911196e+00 -4.564911196e+00 3.54 -4.454989965e+00 -4.454989965e+00 3.56 -4.338737317e+00 -4.338737317e+00 3.58 -4.226357466e+00 -4.226357466e+00 3.60 -4.126055662e+00 -4.126055662e+00 3.62 -4.027102126e+00 -4.027102126e+00 3.64 -3.915376511e+00 -3.915376511e+00 3.66 -3.790909499e+00 -3.790909499e+00 3.68 -3.666697512e+00 -3.666697512e+00 3.70 -3.549758383e+00 -3.549758383e+00 3.72 -3.440284024e+00 -3.440284024e+00 3.74 -3.334980689e+00 -3.334980689e+00 3.76 -3.238702290e+00 -3.238702290e+00 3.78 -3.159747649e+00 -3.159747649e+00 3.80 -3.108232643e+00 -3.108232643e+00 3.82 -3.066884029e+00 -3.066884029e+00 3.84 -3.024660625e+00 -3.024660625e+00 3.86 -2.980408582e+00 -2.980408582e+00 3.88 -2.933114253e+00 -2.933114253e+00 3.90 -2.882250417e+00 -2.882250417e+00 3.92 -2.827328712e+00 -2.827328712e+00 3.94 -2.768077509e+00 -2.768077509e+00 3.96 -2.705185388e+00 -2.705185388e+00 3.98 -2.639983246e+00 -2.639983246e+00 4.00 -2.573373911e+00 -2.573373911e+00 4.02 -2.505406166e+00 -2.505406166e+00 4.04 -2.435573877e+00 -2.435573877e+00 4.06 -2.363571540e+00 -2.363571540e+00 4.08 -2.290524970e+00 -2.290524970e+00 4.10 -2.218265837e+00 -2.218265837e+00 4.12 -2.148466425e+00 -2.148466425e+00 4.14 -2.082008249e+00 -2.082008249e+00 4.16 -2.018876421e+00 -2.018876421e+00 4.18 -1.960136191e+00 -1.960136191e+00 4.20 -1.907608467e+00 -1.907608467e+00 4.22 -1.862410567e+00 -1.862410567e+00 4.24 -1.824121389e+00 -1.824121389e+00 4.26 -1.791511985e+00 -1.791511985e+00 4.28 -1.763296453e+00 -1.763296453e+00 4.30 -1.738202598e+00 -1.738202598e+00 4.32 -1.714961497e+00 -1.714961497e+00 4.34 -1.692502963e+00 -1.692502963e+00 4.36 -1.670697573e+00 -1.670697573e+00 4.38 -1.649688459e+00 -1.649688459e+00 4.40 -1.629633080e+00 -1.629633080e+00 4.42 -1.610730569e+00 -1.610730569e+00 4.44 -1.593243764e+00 -1.593243764e+00 4.46 -1.577010132e+00 -1.577010132e+00 4.48 -1.560935014e+00 -1.560935014e+00 4.50 -1.544310805e+00 -1.544310805e+00 4.52 -1.526443030e+00 -1.526443030e+00 4.54 -1.506583352e+00 -1.506583352e+00 4.56 -1.483919495e+00 -1.483919495e+00 4.58 -1.458009796e+00 -1.458009796e+00 4.60 -1.429121079e+00 -1.429121079e+00 4.62 -1.397690418e+00 -1.397690418e+00 4.64 -1.364285068e+00 -1.364285068e+00 4.66 -1.329549875e+00 -1.329549875e+00 4.68 -1.294179553e+00 -1.294179553e+00 4.70 -1.259023858e+00 -1.259023858e+00 4.72 -1.225053756e+00 -1.225053756e+00 4.74 -1.193156691e+00 -1.193156691e+00 4.76 -1.163903171e+00 -1.163903171e+00 4.78 -1.137711047e+00 -1.137711047e+00 4.80 -1.114940272e+00 -1.114940272e+00 4.82 -1.095355943e+00 -1.095355943e+00 4.84 -1.078378951e+00 -1.078378951e+00 4.86 -1.063437699e+00 -1.063437699e+00 4.88 -1.049803330e+00 -1.049803330e+00 4.90 -1.036460781e+00 -1.036460781e+00 4.92 -1.022438906e+00 -1.022438906e+00 4.94 -1.007139318e+00 -1.007139318e+00 4.96 -9.900867260e-01 -9.900867260e-01 4.98 -9.707863847e-01 -9.707863847e-01 5.00 -9.487552519e-01 -9.487552519e-01 5.02 -9.243452395e-01 -9.243452395e-01 5.04 -8.985385054e-01 -8.985385054e-01 5.06 -8.720515076e-01 -8.720515076e-01 5.08 -8.455932058e-01 -8.455932058e-01 5.10 -8.199690875e-01 -8.199690875e-01 5.12 -7.961218728e-01 -7.961218728e-01 5.14 -7.749520791e-01 -7.749520791e-01 5.16 -7.559381985e-01 -7.559381985e-01 5.18 -7.376435084e-01 -7.376435084e-01 5.20 -7.184817189e-01 -7.184817189e-01 5.22 -6.967467145e-01 -6.967467145e-01 5.24 -6.705867739e-01 -6.705867739e-01 5.26 -6.379967790e-01 -6.379967790e-01 5.28 -5.987306872e-01 -5.987306872e-01 5.30 -5.554525104e-01 -5.554525104e-01 5.32 -5.116892726e-01 -5.116892726e-01 5.34 -4.714061908e-01 -4.714061908e-01 5.36 -4.387429425e-01 -4.387429425e-01 5.38 -4.149758603e-01 -4.149758603e-01 5.40 -3.921981982e-01 -3.921981982e-01 5.42 -3.699063415e-01 -3.699063415e-01 5.44 -3.484033447e-01 -3.484033447e-01 5.46 -3.279830439e-01 -3.279830439e-01 5.48 -3.089325202e-01 -3.089325202e-01 5.50 -2.915323784e-01 -2.915323784e-01 5.52 -2.760575154e-01 -2.760575154e-01 5.54 -2.627536030e-01 -2.627536030e-01 5.56 -2.515842230e-01 -2.515842230e-01 5.58 -2.423386203e-01 -2.423386203e-01 5.60 -2.348031653e-01 -2.348031653e-01 5.62 -2.287640322e-01 -2.287640322e-01 5.64 -2.240071825e-01 -2.240071825e-01 5.66 -2.203187027e-01 -2.203187027e-01 5.68 -2.175104564e-01 -2.175104564e-01 5.70 -2.154878113e-01 -2.154878113e-01 5.72 -2.141712882e-01 -2.141712882e-01 5.74 -2.134812094e-01 -2.134812094e-01 5.76 -2.133374749e-01 -2.133374749e-01 5.78 -2.136599707e-01 -2.136599707e-01 5.80 -2.143670911e-01 -2.143670911e-01 5.82 -2.153058179e-01 -2.153058179e-01 5.84 -2.162483948e-01 -2.162483948e-01 5.86 -2.169762374e-01 -2.169762374e-01 5.88 -2.172711319e-01 -2.172711319e-01 5.90 -2.169154209e-01 -2.169154209e-01 5.92 -2.156917921e-01 -2.156917921e-01 5.94 -2.133775395e-01 -2.133775395e-01 5.96 -2.095887969e-01 -2.095887969e-01 5.98 -2.037367799e-01 -2.037367799e-01 6.00 -1.952167363e-01 -1.952167363e-01