# 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 = Nb2TaW # 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 6.535812769e+02 6.535812769e+02 1.08 5.897821569e+02 5.897821569e+02 1.10 5.324354294e+02 5.324354294e+02 1.12 4.815663683e+02 4.815663683e+02 1.14 4.365437920e+02 4.365437920e+02 1.16 3.967356919e+02 3.967356919e+02 1.18 3.607623715e+02 3.607623715e+02 1.20 3.277319823e+02 3.277319823e+02 1.22 2.984923476e+02 2.984923476e+02 1.24 2.726469008e+02 2.726469008e+02 1.26 2.494308197e+02 2.494308197e+02 1.28 2.289296132e+02 2.289296132e+02 1.30 2.105078700e+02 2.105078700e+02 1.32 1.935759174e+02 1.935759174e+02 1.34 1.781365736e+02 1.781365736e+02 1.36 1.642722779e+02 1.642722779e+02 1.38 1.521339140e+02 1.521339140e+02 1.40 1.410156164e+02 1.410156164e+02 1.42 1.303315946e+02 1.303315946e+02 1.44 1.203612223e+02 1.203612223e+02 1.46 1.112506178e+02 1.112506178e+02 1.48 1.034343850e+02 1.034343850e+02 1.50 9.618024964e+01 9.618024964e+01 1.52 8.912804300e+01 8.912804300e+01 1.54 8.257951480e+01 8.257951480e+01 1.56 7.645619460e+01 7.645619460e+01 1.58 7.064544962e+01 7.064544962e+01 1.60 6.517074161e+01 6.517074161e+01 1.62 6.014218851e+01 6.014218851e+01 1.64 5.545542498e+01 5.545542498e+01 1.66 5.106600035e+01 5.106600035e+01 1.68 4.704704415e+01 4.704704415e+01 1.70 4.336360302e+01 4.336360302e+01 1.72 3.995051287e+01 3.995051287e+01 1.74 3.678227047e+01 3.678227047e+01 1.76 3.386764683e+01 3.386764683e+01 1.78 3.127051869e+01 3.127051869e+01 1.80 2.899601863e+01 2.899601863e+01 1.82 2.674730804e+01 2.674730804e+01 1.84 2.460124460e+01 2.460124460e+01 1.86 2.267579202e+01 2.267579202e+01 1.88 2.090298292e+01 2.090298292e+01 1.90 1.924440315e+01 1.924440315e+01 1.92 1.759550960e+01 1.759550960e+01 1.94 1.598988891e+01 1.598988891e+01 1.96 1.446709909e+01 1.446709909e+01 1.98 1.309167960e+01 1.309167960e+01 2.00 1.191034767e+01 1.191034767e+01 2.02 1.090959993e+01 1.090959993e+01 2.04 1.003355634e+01 1.003355634e+01 2.06 9.106619714e+00 9.106619714e+00 2.08 8.016496042e+00 8.016496042e+00 2.10 6.909871038e+00 6.909871038e+00 2.12 5.835866398e+00 5.835866398e+00 2.14 4.808780425e+00 4.808780425e+00 2.16 3.830734396e+00 3.830734396e+00 2.18 2.920501609e+00 2.920501609e+00 2.20 2.102825413e+00 2.102825413e+00 2.22 1.304366873e+00 1.304366873e+00 2.24 5.912137065e-01 5.912137065e-01 2.26 -6.650265326e-02 -6.650265326e-02 2.28 -6.810126623e-01 -6.810126623e-01 2.30 -1.256203159e+00 -1.256203159e+00 2.32 -1.792321224e+00 -1.792321224e+00 2.34 -2.350545470e+00 -2.350545470e+00 2.36 -3.088174803e+00 -3.088174803e+00 2.38 -3.812989619e+00 -3.812989619e+00 2.40 -4.387482236e+00 -4.387482236e+00 2.42 -4.791005048e+00 -4.791005048e+00 2.44 -5.077871574e+00 -5.077871574e+00 2.46 -5.338563808e+00 -5.338563808e+00 2.48 -5.636980530e+00 -5.636980530e+00 2.50 -5.922090029e+00 -5.922090029e+00 2.52 -6.197869238e+00 -6.197869238e+00 2.54 -6.473194104e+00 -6.473194104e+00 2.56 -6.749050383e+00 -6.749050383e+00 2.58 -6.994045575e+00 -6.994045575e+00 2.60 -7.211360795e+00 -7.211360795e+00 2.62 -7.389183032e+00 -7.389183032e+00 2.64 -7.523066614e+00 -7.523066614e+00 2.66 -7.618881030e+00 -7.618881030e+00 2.68 -7.696030859e+00 -7.696030859e+00 2.70 -7.761157201e+00 -7.761157201e+00 2.72 -7.819081057e+00 -7.819081057e+00 2.74 -7.872461895e+00 -7.872461895e+00 2.76 -7.921685381e+00 -7.921685381e+00 2.78 -7.966986006e+00 -7.966986006e+00 2.80 -8.004495716e+00 -8.004495716e+00 2.82 -8.030010737e+00 -8.030010737e+00 2.84 -8.044678930e+00 -8.044678930e+00 2.86 -8.049277268e+00 -8.049277268e+00 2.88 -8.040792983e+00 -8.040792983e+00 2.90 -8.015190078e+00 -8.015190078e+00 2.92 -7.976967066e+00 -7.976967066e+00 2.94 -7.932516857e+00 -7.932516857e+00 2.96 -7.882748037e+00 -7.882748037e+00 2.98 -7.830352125e+00 -7.830352125e+00 3.00 -7.786392711e+00 -7.786392711e+00 3.02 -7.750791061e+00 -7.750791061e+00 3.04 -7.734857916e+00 -7.734857916e+00 3.06 -7.734119937e+00 -7.734119937e+00 3.08 -7.730170880e+00 -7.730170880e+00 3.10 -7.704169470e+00 -7.704169470e+00 3.12 -7.640128470e+00 -7.640128470e+00 3.14 -7.538651803e+00 -7.538651803e+00 3.16 -7.401434001e+00 -7.401434001e+00 3.18 -7.234021464e+00 -7.234021464e+00 3.20 -7.057472237e+00 -7.057472237e+00 3.22 -6.901560436e+00 -6.901560436e+00 3.24 -6.797353012e+00 -6.797353012e+00 3.26 -6.724592202e+00 -6.724592202e+00 3.28 -6.648056768e+00 -6.648056768e+00 3.30 -6.566824840e+00 -6.566824840e+00 3.32 -6.480975740e+00 -6.480975740e+00 3.34 -6.389911489e+00 -6.389911489e+00 3.36 -6.292062609e+00 -6.292062609e+00 3.38 -6.186612189e+00 -6.186612189e+00 3.40 -6.074871996e+00 -6.074871996e+00 3.42 -5.959095216e+00 -5.959095216e+00 3.44 -5.840405277e+00 -5.840405277e+00 3.46 -5.719935040e+00 -5.719935040e+00 3.48 -5.602068916e+00 -5.602068916e+00 3.50 -5.492842957e+00 -5.492842957e+00 3.52 -5.394243760e+00 -5.394243760e+00 3.54 -5.307461567e+00 -5.307461567e+00 3.56 -5.240637083e+00 -5.240637083e+00 3.58 -5.186977343e+00 -5.186977343e+00 3.60 -5.141794737e+00 -5.141794737e+00 3.62 -5.104212157e+00 -5.104212157e+00 3.64 -5.057296694e+00 -5.057296694e+00 3.66 -5.004209140e+00 -5.004209140e+00 3.68 -4.948717055e+00 -4.948717055e+00 3.70 -4.892974183e+00 -4.892974183e+00 3.72 -4.839168338e+00 -4.839168338e+00 3.74 -4.787476980e+00 -4.787476980e+00 3.76 -4.733343464e+00 -4.733343464e+00 3.78 -4.671656174e+00 -4.671656174e+00 3.80 -4.597855090e+00 -4.597855090e+00 3.82 -4.507537417e+00 -4.507537417e+00 3.84 -4.401372401e+00 -4.401372401e+00 3.86 -4.278317459e+00 -4.278317459e+00 3.88 -4.134500934e+00 -4.134500934e+00 3.90 -3.971992531e+00 -3.971992531e+00 3.92 -3.800212280e+00 -3.800212280e+00 3.94 -3.632315332e+00 -3.632315332e+00 3.96 -3.473472312e+00 -3.473472312e+00 3.98 -3.320844931e+00 -3.320844931e+00 4.00 -3.174065296e+00 -3.174065296e+00 4.02 -3.038905046e+00 -3.038905046e+00 4.04 -2.920235078e+00 -2.920235078e+00 4.06 -2.819550151e+00 -2.819550151e+00 4.08 -2.733176207e+00 -2.733176207e+00 4.10 -2.655484739e+00 -2.655484739e+00 4.12 -2.584637073e+00 -2.584637073e+00 4.14 -2.521963714e+00 -2.521963714e+00 4.16 -2.468634766e+00 -2.468634766e+00 4.18 -2.423647861e+00 -2.423647861e+00 4.20 -2.384097608e+00 -2.384097608e+00 4.22 -2.350202167e+00 -2.350202167e+00 4.24 -2.322340260e+00 -2.322340260e+00 4.26 -2.300093778e+00 -2.300093778e+00 4.28 -2.282992980e+00 -2.282992980e+00 4.30 -2.270289131e+00 -2.270289131e+00 4.32 -2.260413241e+00 -2.260413241e+00 4.34 -2.251615391e+00 -2.251615391e+00 4.36 -2.243779180e+00 -2.243779180e+00 4.38 -2.237371651e+00 -2.237371651e+00 4.40 -2.232848277e+00 -2.232848277e+00 4.42 -2.230673673e+00 -2.230673673e+00 4.44 -2.231331479e+00 -2.231331479e+00 4.46 -2.234750945e+00 -2.234750945e+00 4.48 -2.239756330e+00 -2.239756330e+00 4.50 -2.245817899e+00 -2.245817899e+00 4.52 -2.252496045e+00 -2.252496045e+00 4.54 -2.259336318e+00 -2.259336318e+00 4.56 -2.265873638e+00 -2.265873638e+00 4.58 -2.272007034e+00 -2.272007034e+00 4.60 -2.278136009e+00 -2.278136009e+00 4.62 -2.283507556e+00 -2.283507556e+00 4.64 -2.286395850e+00 -2.286395850e+00 4.66 -2.285101703e+00 -2.285101703e+00 4.68 -2.278092072e+00 -2.278092072e+00 4.70 -2.264050549e+00 -2.264050549e+00 4.72 -2.241824387e+00 -2.241824387e+00 4.74 -2.210680489e+00 -2.210680489e+00 4.76 -2.172425385e+00 -2.172425385e+00 4.78 -2.129894560e+00 -2.129894560e+00 4.80 -2.086022454e+00 -2.086022454e+00 4.82 -2.043153254e+00 -2.043153254e+00 4.84 -2.003147249e+00 -2.003147249e+00 4.86 -1.967814645e+00 -1.967814645e+00 4.88 -1.937684666e+00 -1.937684666e+00 4.90 -1.910025982e+00 -1.910025982e+00 4.92 -1.881801801e+00 -1.881801801e+00 4.94 -1.852109758e+00 -1.852109758e+00 4.96 -1.821013659e+00 -1.821013659e+00 4.98 -1.788586729e+00 -1.788586729e+00 5.00 -1.754970683e+00 -1.754970683e+00 5.02 -1.722288964e+00 -1.722288964e+00 5.04 -1.693943291e+00 -1.693943291e+00 5.06 -1.669505617e+00 -1.669505617e+00 5.08 -1.647511673e+00 -1.647511673e+00 5.10 -1.626462731e+00 -1.626462731e+00 5.12 -1.604826455e+00 -1.604826455e+00 5.14 -1.580804847e+00 -1.580804847e+00 5.16 -1.552306808e+00 -1.552306808e+00 5.18 -1.520083350e+00 -1.520083350e+00 5.20 -1.485472717e+00 -1.485472717e+00 5.22 -1.449835039e+00 -1.449835039e+00 5.24 -1.414543948e+00 -1.414543948e+00 5.26 -1.380989019e+00 -1.380989019e+00 5.28 -1.350336853e+00 -1.350336853e+00 5.30 -1.323329611e+00 -1.323329611e+00 5.32 -1.300448189e+00 -1.300448189e+00 5.34 -1.281629001e+00 -1.281629001e+00 5.36 -1.265989996e+00 -1.265989996e+00 5.38 -1.252001790e+00 -1.252001790e+00 5.40 -1.236400697e+00 -1.236400697e+00 5.42 -1.218336561e+00 -1.218336561e+00 5.44 -1.197202358e+00 -1.197202358e+00 5.46 -1.172673369e+00 -1.172673369e+00 5.48 -1.144835996e+00 -1.144835996e+00 5.50 -1.114312414e+00 -1.114312414e+00 5.52 -1.082291489e+00 -1.082291489e+00 5.54 -1.050390813e+00 -1.050390813e+00 5.56 -1.019316087e+00 -1.019316087e+00 5.58 -9.883756806e-01 -9.883756806e-01 5.60 -9.562317720e-01 -9.562317720e-01 5.62 -9.209758873e-01 -9.209758873e-01 5.64 -8.801030880e-01 -8.801030880e-01 5.66 -8.303396829e-01 -8.303396829e-01 5.68 -7.688241384e-01 -7.688241384e-01 5.70 -6.991765465e-01 -6.991765465e-01 5.72 -6.292304058e-01 -6.292304058e-01 5.74 -5.658884885e-01 -5.658884885e-01 5.76 -5.172914214e-01 -5.172914214e-01 5.78 -4.926339905e-01 -4.926339905e-01 5.80 -4.995713273e-01 -4.995713273e-01 5.82 -5.398314131e-01 -5.398314131e-01 5.84 -6.009588202e-01 -6.009588202e-01 5.86 -6.698809397e-01 -6.698809397e-01 5.88 -7.358323301e-01 -7.358323301e-01 5.90 -7.905702886e-01 -7.905702886e-01 5.92 -8.275241498e-01 -8.275241498e-01 5.94 -8.405518156e-01 -8.405518156e-01 5.96 -8.277672384e-01 -8.277672384e-01 5.98 -7.914738075e-01 -7.914738075e-01 6.00 -7.334196702e-01 -7.334196702e-01