# 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 = Ta2TiW # 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 4.729034025e+02 4.729034025e+02 1.08 4.287385170e+02 4.287385170e+02 1.10 3.882167534e+02 3.882167534e+02 1.12 3.506851443e+02 3.506851443e+02 1.14 3.165455679e+02 3.165455679e+02 1.16 2.855615107e+02 2.855615107e+02 1.18 2.578462248e+02 2.578462248e+02 1.20 2.333263605e+02 2.333263605e+02 1.22 2.115901933e+02 2.115901933e+02 1.24 1.922434459e+02 1.922434459e+02 1.26 1.753847178e+02 1.753847178e+02 1.28 1.612731835e+02 1.612731835e+02 1.30 1.489086990e+02 1.489086990e+02 1.32 1.374391877e+02 1.374391877e+02 1.34 1.268981910e+02 1.268981910e+02 1.36 1.172896585e+02 1.172896585e+02 1.38 1.084854751e+02 1.084854751e+02 1.40 1.003884870e+02 1.003884870e+02 1.42 9.277550532e+01 9.277550532e+01 1.44 8.560014571e+01 8.560014571e+01 1.46 7.893824226e+01 7.893824226e+01 1.48 7.285321644e+01 7.285321644e+01 1.50 6.731002323e+01 6.731002323e+01 1.52 6.223432405e+01 6.223432405e+01 1.54 5.746969486e+01 5.746969486e+01 1.56 5.297497871e+01 5.297497871e+01 1.58 4.878734570e+01 4.878734570e+01 1.60 4.494638926e+01 4.494638926e+01 1.62 4.142944615e+01 4.142944615e+01 1.64 3.818817648e+01 3.818817648e+01 1.66 3.522019440e+01 3.522019440e+01 1.68 3.253186614e+01 3.253186614e+01 1.70 3.004208952e+01 3.004208952e+01 1.72 2.759242339e+01 2.759242339e+01 1.74 2.508136586e+01 2.508136586e+01 1.76 2.276424033e+01 2.276424033e+01 1.78 2.065931523e+01 2.065931523e+01 1.80 1.873363603e+01 1.873363603e+01 1.82 1.698985369e+01 1.698985369e+01 1.84 1.540562630e+01 1.540562630e+01 1.86 1.396586673e+01 1.396586673e+01 1.88 1.271435191e+01 1.271435191e+01 1.90 1.162806590e+01 1.162806590e+01 1.92 1.063953426e+01 1.063953426e+01 1.94 9.675017119e+00 9.675017119e+00 1.96 8.712757950e+00 8.712757950e+00 1.98 7.797835387e+00 7.797835387e+00 2.00 6.938865792e+00 6.938865792e+00 2.02 6.169871822e+00 6.169871822e+00 2.04 5.423870096e+00 5.423870096e+00 2.06 4.683646130e+00 4.683646130e+00 2.08 3.969589965e+00 3.969589965e+00 2.10 3.290807882e+00 3.290807882e+00 2.12 2.666479072e+00 2.666479072e+00 2.14 2.104261250e+00 2.104261250e+00 2.16 1.587849771e+00 1.587849771e+00 2.18 1.131622731e+00 1.131622731e+00 2.20 6.090163371e-01 6.090163371e-01 2.22 1.372051237e-02 1.372051237e-02 2.24 -6.272412045e-01 -6.272412045e-01 2.26 -1.146976409e+00 -1.146976409e+00 2.28 -1.555000749e+00 -1.555000749e+00 2.30 -1.926741864e+00 -1.926741864e+00 2.32 -2.281688565e+00 -2.281688565e+00 2.34 -2.712878745e+00 -2.712878745e+00 2.36 -3.112386170e+00 -3.112386170e+00 2.38 -3.604130710e+00 -3.604130710e+00 2.40 -4.093626013e+00 -4.093626013e+00 2.42 -4.536943446e+00 -4.536943446e+00 2.44 -4.935790552e+00 -4.935790552e+00 2.46 -5.294754111e+00 -5.294754111e+00 2.48 -5.588830832e+00 -5.588830832e+00 2.50 -5.853378205e+00 -5.853378205e+00 2.52 -6.093613967e+00 -6.093613967e+00 2.54 -6.312642631e+00 -6.312642631e+00 2.56 -6.513969237e+00 -6.513969237e+00 2.58 -6.696639472e+00 -6.696639472e+00 2.60 -6.859129811e+00 -6.859129811e+00 2.62 -6.999192515e+00 -6.999192515e+00 2.64 -7.118267641e+00 -7.118267641e+00 2.66 -7.230543330e+00 -7.230543330e+00 2.68 -7.322138194e+00 -7.322138194e+00 2.70 -7.389104970e+00 -7.389104970e+00 2.72 -7.442949400e+00 -7.442949400e+00 2.74 -7.485431550e+00 -7.485431550e+00 2.76 -7.513454058e+00 -7.513454058e+00 2.78 -7.526355337e+00 -7.526355337e+00 2.80 -7.529733977e+00 -7.529733977e+00 2.82 -7.525489333e+00 -7.525489333e+00 2.84 -7.520499459e+00 -7.520499459e+00 2.86 -7.512425245e+00 -7.512425245e+00 2.88 -7.500633174e+00 -7.500633174e+00 2.90 -7.485257379e+00 -7.485257379e+00 2.92 -7.463411794e+00 -7.463411794e+00 2.94 -7.429786296e+00 -7.429786296e+00 2.96 -7.376895508e+00 -7.376895508e+00 2.98 -7.301451649e+00 -7.301451649e+00 3.00 -7.209686543e+00 -7.209686543e+00 3.02 -7.124095012e+00 -7.124095012e+00 3.04 -7.049943906e+00 -7.049943906e+00 3.06 -6.986847364e+00 -6.986847364e+00 3.08 -6.929629857e+00 -6.929629857e+00 3.10 -6.866497244e+00 -6.866497244e+00 3.12 -6.791889406e+00 -6.791889406e+00 3.14 -6.712781001e+00 -6.712781001e+00 3.16 -6.632435179e+00 -6.632435179e+00 3.18 -6.550383840e+00 -6.550383840e+00 3.20 -6.465719479e+00 -6.465719479e+00 3.22 -6.372308881e+00 -6.372308881e+00 3.24 -6.277546089e+00 -6.277546089e+00 3.26 -6.188999937e+00 -6.188999937e+00 3.28 -6.103179307e+00 -6.103179307e+00 3.30 -6.020743872e+00 -6.020743872e+00 3.32 -5.939255410e+00 -5.939255410e+00 3.34 -5.855592040e+00 -5.855592040e+00 3.36 -5.773500964e+00 -5.773500964e+00 3.38 -5.685431203e+00 -5.685431203e+00 3.40 -5.600287729e+00 -5.600287729e+00 3.42 -5.524923225e+00 -5.524923225e+00 3.44 -5.454414458e+00 -5.454414458e+00 3.46 -5.384706635e+00 -5.384706635e+00 3.48 -5.312507435e+00 -5.312507435e+00 3.50 -5.238109569e+00 -5.238109569e+00 3.52 -5.164745035e+00 -5.164745035e+00 3.54 -5.096870836e+00 -5.096870836e+00 3.56 -5.039800941e+00 -5.039800941e+00 3.58 -4.993495679e+00 -4.993495679e+00 3.60 -4.952472928e+00 -4.952472928e+00 3.62 -4.911336291e+00 -4.911336291e+00 3.64 -4.864644652e+00 -4.864644652e+00 3.66 -4.809953986e+00 -4.809953986e+00 3.68 -4.748658909e+00 -4.748658909e+00 3.70 -4.681466321e+00 -4.681466321e+00 3.72 -4.608485739e+00 -4.608485739e+00 3.74 -4.529399947e+00 -4.529399947e+00 3.76 -4.443444815e+00 -4.443444815e+00 3.78 -4.350950248e+00 -4.350950248e+00 3.80 -4.254631420e+00 -4.254631420e+00 3.82 -4.153144582e+00 -4.153144582e+00 3.84 -4.050366613e+00 -4.050366613e+00 3.86 -3.933474478e+00 -3.933474478e+00 3.88 -3.779691179e+00 -3.779691179e+00 3.90 -3.603582393e+00 -3.603582393e+00 3.92 -3.443050986e+00 -3.443050986e+00 3.94 -3.309329225e+00 -3.309329225e+00 3.96 -3.188917102e+00 -3.188917102e+00 3.98 -3.073422012e+00 -3.073422012e+00 4.00 -2.961890531e+00 -2.961890531e+00 4.02 -2.856050768e+00 -2.856050768e+00 4.04 -2.755789618e+00 -2.755789618e+00 4.06 -2.659947001e+00 -2.659947001e+00 4.08 -2.568127003e+00 -2.568127003e+00 4.10 -2.480957013e+00 -2.480957013e+00 4.12 -2.398901485e+00 -2.398901485e+00 4.14 -2.322886480e+00 -2.322886480e+00 4.16 -2.254354749e+00 -2.254354749e+00 4.18 -2.194985003e+00 -2.194985003e+00 4.20 -2.146268227e+00 -2.146268227e+00 4.22 -2.107409607e+00 -2.107409607e+00 4.24 -2.076656357e+00 -2.076656357e+00 4.26 -2.052575073e+00 -2.052575073e+00 4.28 -2.033879202e+00 -2.033879202e+00 4.30 -2.019334596e+00 -2.019334596e+00 4.32 -2.007711652e+00 -2.007711652e+00 4.34 -1.997880120e+00 -1.997880120e+00 4.36 -1.989300502e+00 -1.989300502e+00 4.38 -1.981608552e+00 -1.981608552e+00 4.40 -1.974398360e+00 -1.974398360e+00 4.42 -1.967232571e+00 -1.967232571e+00 4.44 -1.959653822e+00 -1.959653822e+00 4.46 -1.950846747e+00 -1.950846747e+00 4.48 -1.939879005e+00 -1.939879005e+00 4.50 -1.927158937e+00 -1.927158937e+00 4.52 -1.913259845e+00 -1.913259845e+00 4.54 -1.898746753e+00 -1.898746753e+00 4.56 -1.884179084e+00 -1.884179084e+00 4.58 -1.870385086e+00 -1.870385086e+00 4.60 -1.858547519e+00 -1.858547519e+00 4.62 -1.848782341e+00 -1.848782341e+00 4.64 -1.840162749e+00 -1.840162749e+00 4.66 -1.831703002e+00 -1.831703002e+00 4.68 -1.822408351e+00 -1.822408351e+00 4.70 -1.811315655e+00 -1.811315655e+00 4.72 -1.797527609e+00 -1.797527609e+00 4.74 -1.780314873e+00 -1.780314873e+00 4.76 -1.760159604e+00 -1.760159604e+00 4.78 -1.738144151e+00 -1.738144151e+00 4.80 -1.715356289e+00 -1.715356289e+00 4.82 -1.692472730e+00 -1.692472730e+00 4.84 -1.669863279e+00 -1.669863279e+00 4.86 -1.647872619e+00 -1.647872619e+00 4.88 -1.626471188e+00 -1.626471188e+00 4.90 -1.604535607e+00 -1.604535607e+00 4.92 -1.580772384e+00 -1.580772384e+00 4.94 -1.554646991e+00 -1.554646991e+00 4.96 -1.525994998e+00 -1.525994998e+00 4.98 -1.494691491e+00 -1.494691491e+00 5.00 -1.460722907e+00 -1.460722907e+00 5.02 -1.425174906e+00 -1.425174906e+00 5.04 -1.390014393e+00 -1.390014393e+00 5.06 -1.355673859e+00 -1.355673859e+00 5.08 -1.322035317e+00 -1.322035317e+00 5.10 -1.288986015e+00 -1.288986015e+00 5.12 -1.256501992e+00 -1.256501992e+00 5.14 -1.224372813e+00 -1.224372813e+00 5.16 -1.191225167e+00 -1.191225167e+00 5.18 -1.156197296e+00 -1.156197296e+00 5.20 -1.118688285e+00 -1.118688285e+00 5.22 -1.078265605e+00 -1.078265605e+00 5.24 -1.034747201e+00 -1.034747201e+00 5.26 -9.882491933e-01 -9.882491933e-01 5.28 -9.394814668e-01 -9.394814668e-01 5.30 -8.896216318e-01 -8.896216318e-01 5.32 -8.397574382e-01 -8.397574382e-01 5.34 -7.916151703e-01 -7.916151703e-01 5.36 -7.477979694e-01 -7.477979694e-01 5.38 -7.092159432e-01 -7.092159432e-01 5.40 -6.723810414e-01 -6.723810414e-01 5.42 -6.369552696e-01 -6.369552696e-01 5.44 -6.017790521e-01 -6.017790521e-01 5.46 -5.664014886e-01 -5.664014886e-01 5.48 -5.312639147e-01 -5.312639147e-01 5.50 -4.975572930e-01 -4.975572930e-01 5.52 -4.670020219e-01 -4.670020219e-01 5.54 -4.414538006e-01 -4.414538006e-01 5.56 -4.213922422e-01 -4.213922422e-01 5.58 -4.058407850e-01 -4.058407850e-01 5.60 -3.933827522e-01 -3.933827522e-01 5.62 -3.823831066e-01 -3.823831066e-01 5.64 -3.711277969e-01 -3.711277969e-01 5.66 -3.578996373e-01 -3.578996373e-01 5.68 -3.414823939e-01 -3.414823939e-01 5.70 -3.230735480e-01 -3.230735480e-01 5.72 -3.046990829e-01 -3.046990829e-01 5.74 -2.883803198e-01 -2.883803198e-01 5.76 -2.761110865e-01 -2.761110865e-01 5.78 -2.698469147e-01 -2.698469147e-01 5.80 -2.714340035e-01 -2.714340035e-01 5.82 -2.812509172e-01 -2.812509172e-01 5.84 -2.966562368e-01 -2.966562368e-01 5.86 -3.147416259e-01 -3.147416259e-01 5.88 -3.328156528e-01 -3.328156528e-01 5.90 -3.483552472e-01 -3.483552472e-01 5.92 -3.589123260e-01 -3.589123260e-01 5.94 -3.620735889e-01 -3.620735889e-01 5.96 -3.569849207e-01 -3.569849207e-01 5.98 -3.444618532e-01 -3.444618532e-01 6.00 -3.251435366e-01 -3.251435366e-01