# 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 = NbTi2W # 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 3.118615305e+03 3.118615305e+03 1.08 2.740430878e+03 2.740430878e+03 1.10 2.408867314e+03 2.408867314e+03 1.12 2.118320999e+03 2.118320999e+03 1.14 1.862838077e+03 1.862838077e+03 1.16 1.638631446e+03 1.638631446e+03 1.18 1.442073304e+03 1.442073304e+03 1.20 1.269392502e+03 1.269392502e+03 1.22 1.117823605e+03 1.117823605e+03 1.24 9.845069530e+02 9.845069530e+02 1.26 8.673258444e+02 8.673258444e+02 1.28 7.644721751e+02 7.644721751e+02 1.30 6.740374157e+02 6.740374157e+02 1.32 5.940796130e+02 5.940796130e+02 1.34 5.236112414e+02 5.236112414e+02 1.36 4.615059183e+02 4.615059183e+02 1.38 4.069762415e+02 4.069762415e+02 1.40 3.588675359e+02 3.588675359e+02 1.42 3.162943728e+02 3.162943728e+02 1.44 2.787923305e+02 2.787923305e+02 1.46 2.459963657e+02 2.459963657e+02 1.48 2.173871843e+02 2.173871843e+02 1.50 1.920814940e+02 1.920814940e+02 1.52 1.696294586e+02 1.696294586e+02 1.54 1.496776660e+02 1.496776660e+02 1.56 1.319436119e+02 1.319436119e+02 1.58 1.162575669e+02 1.162575669e+02 1.60 1.025022765e+02 1.025022765e+02 1.62 9.038544426e+01 9.038544426e+01 1.64 7.965196625e+01 7.965196625e+01 1.66 7.012074131e+01 7.012074131e+01 1.68 6.154201604e+01 6.154201604e+01 1.70 5.386927160e+01 5.386927160e+01 1.72 4.713777529e+01 4.713777529e+01 1.74 4.125439872e+01 4.125439872e+01 1.76 3.613534419e+01 3.613534419e+01 1.78 3.162714695e+01 3.162714695e+01 1.80 2.748532602e+01 2.748532602e+01 1.82 2.376491626e+01 2.376491626e+01 1.84 2.048827823e+01 2.048827823e+01 1.86 1.763243329e+01 1.763243329e+01 1.88 1.513215971e+01 1.513215971e+01 1.90 1.293028625e+01 1.293028625e+01 1.92 1.105183032e+01 1.105183032e+01 1.94 9.510413536e+00 9.510413536e+00 1.96 8.238661511e+00 8.238661511e+00 1.98 7.095683347e+00 7.095683347e+00 2.00 5.993518137e+00 5.993518137e+00 2.02 4.967979230e+00 4.967979230e+00 2.04 4.068230263e+00 4.068230263e+00 2.06 3.278943652e+00 3.278943652e+00 2.08 2.562701912e+00 2.562701912e+00 2.10 1.924665512e+00 1.924665512e+00 2.12 1.304909118e+00 1.304909118e+00 2.14 7.447106840e-01 7.447106840e-01 2.16 2.534878391e-01 2.534878391e-01 2.18 -1.928659024e-01 -1.928659024e-01 2.20 -6.132312349e-01 -6.132312349e-01 2.22 -1.000920041e+00 -1.000920041e+00 2.24 -1.307118622e+00 -1.307118622e+00 2.26 -1.577845377e+00 -1.577845377e+00 2.28 -2.083667622e+00 -2.083667622e+00 2.30 -2.501945689e+00 -2.501945689e+00 2.32 -2.846979144e+00 -2.846979144e+00 2.34 -3.136705858e+00 -3.136705858e+00 2.36 -3.386871906e+00 -3.386871906e+00 2.38 -3.628552998e+00 -3.628552998e+00 2.40 -3.911538237e+00 -3.911538237e+00 2.42 -4.224174765e+00 -4.224174765e+00 2.44 -4.499656903e+00 -4.499656903e+00 2.46 -4.759724474e+00 -4.759724474e+00 2.48 -5.015885675e+00 -5.015885675e+00 2.50 -5.252822409e+00 -5.252822409e+00 2.52 -5.447885182e+00 -5.447885182e+00 2.54 -5.614504861e+00 -5.614504861e+00 2.56 -5.749666969e+00 -5.749666969e+00 2.58 -5.864783230e+00 -5.864783230e+00 2.60 -5.975594317e+00 -5.975594317e+00 2.62 -6.094644745e+00 -6.094644745e+00 2.64 -6.217806691e+00 -6.217806691e+00 2.66 -6.320927391e+00 -6.320927391e+00 2.68 -6.392823150e+00 -6.392823150e+00 2.70 -6.433782788e+00 -6.433782788e+00 2.72 -6.453590551e+00 -6.453590551e+00 2.74 -6.463337314e+00 -6.463337314e+00 2.76 -6.471246867e+00 -6.471246867e+00 2.78 -6.481382298e+00 -6.481382298e+00 2.80 -6.494844978e+00 -6.494844978e+00 2.82 -6.504838882e+00 -6.504838882e+00 2.84 -6.503185852e+00 -6.503185852e+00 2.86 -6.492714814e+00 -6.492714814e+00 2.88 -6.474753568e+00 -6.474753568e+00 2.90 -6.447958867e+00 -6.447958867e+00 2.92 -6.412712580e+00 -6.412712580e+00 2.94 -6.368592765e+00 -6.368592765e+00 2.96 -6.323308751e+00 -6.323308751e+00 2.98 -6.275340253e+00 -6.275340253e+00 3.00 -6.213130883e+00 -6.213130883e+00 3.02 -6.140177571e+00 -6.140177571e+00 3.04 -6.045537858e+00 -6.045537858e+00 3.06 -5.939581562e+00 -5.939581562e+00 3.08 -5.840738213e+00 -5.840738213e+00 3.10 -5.760409264e+00 -5.760409264e+00 3.12 -5.693607630e+00 -5.693607630e+00 3.14 -5.625705307e+00 -5.625705307e+00 3.16 -5.559416188e+00 -5.559416188e+00 3.18 -5.500291487e+00 -5.500291487e+00 3.20 -5.447992632e+00 -5.447992632e+00 3.22 -5.405689137e+00 -5.405689137e+00 3.24 -5.369476425e+00 -5.369476425e+00 3.26 -5.337442404e+00 -5.337442404e+00 3.28 -5.303636425e+00 -5.303636425e+00 3.30 -5.270665186e+00 -5.270665186e+00 3.32 -5.213410347e+00 -5.213410347e+00 3.34 -5.146301911e+00 -5.146301911e+00 3.36 -5.053090641e+00 -5.053090641e+00 3.38 -4.952578053e+00 -4.952578053e+00 3.40 -4.856173505e+00 -4.856173505e+00 3.42 -4.761224714e+00 -4.761224714e+00 3.44 -4.634926554e+00 -4.634926554e+00 3.46 -4.497292217e+00 -4.497292217e+00 3.48 -4.351521047e+00 -4.351521047e+00 3.50 -4.205330757e+00 -4.205330757e+00 3.52 -4.066055932e+00 -4.066055932e+00 3.54 -3.942284319e+00 -3.942284319e+00 3.56 -3.840625865e+00 -3.840625865e+00 3.58 -3.758556537e+00 -3.758556537e+00 3.60 -3.687842334e+00 -3.687842334e+00 3.62 -3.619316301e+00 -3.619316301e+00 3.64 -3.541437292e+00 -3.541437292e+00 3.66 -3.447987979e+00 -3.447987979e+00 3.68 -3.343762180e+00 -3.343762180e+00 3.70 -3.236390834e+00 -3.236390834e+00 3.72 -3.135566263e+00 -3.135566263e+00 3.74 -3.049354637e+00 -3.049354637e+00 3.76 -2.979515985e+00 -2.979515985e+00 3.78 -2.925517614e+00 -2.925517614e+00 3.80 -2.884321872e+00 -2.884321872e+00 3.82 -2.846240765e+00 -2.846240765e+00 3.84 -2.806925700e+00 -2.806925700e+00 3.86 -2.765880554e+00 -2.765880554e+00 3.88 -2.723008286e+00 -2.723008286e+00 3.90 -2.678192274e+00 -2.678192274e+00 3.92 -2.630688237e+00 -2.630688237e+00 3.94 -2.583313811e+00 -2.583313811e+00 3.96 -2.539135804e+00 -2.539135804e+00 3.98 -2.491172110e+00 -2.491172110e+00 4.00 -2.435680458e+00 -2.435680458e+00 4.02 -2.380442493e+00 -2.380442493e+00 4.04 -2.331729584e+00 -2.331729584e+00 4.06 -2.288349552e+00 -2.288349552e+00 4.08 -2.247573265e+00 -2.247573265e+00 4.10 -2.207800902e+00 -2.207800902e+00 4.12 -2.169220474e+00 -2.169220474e+00 4.14 -2.133299883e+00 -2.133299883e+00 4.16 -2.101433441e+00 -2.101433441e+00 4.18 -2.074591332e+00 -2.074591332e+00 4.20 -2.053352245e+00 -2.053352245e+00 4.22 -2.038604507e+00 -2.038604507e+00 4.24 -2.030035085e+00 -2.030035085e+00 4.26 -2.026182395e+00 -2.026182395e+00 4.28 -2.025481162e+00 -2.025481162e+00 4.30 -2.026282356e+00 -2.026282356e+00 4.32 -2.026853846e+00 -2.026853846e+00 4.34 -2.025665752e+00 -2.025665752e+00 4.36 -2.022719292e+00 -2.022719292e+00 4.38 -2.018603688e+00 -2.018603688e+00 4.40 -2.013891389e+00 -2.013891389e+00 4.42 -2.009153963e+00 -2.009153963e+00 4.44 -2.004975837e+00 -2.004975837e+00 4.46 -2.001668260e+00 -2.001668260e+00 4.48 -1.998806532e+00 -1.998806532e+00 4.50 -1.996232024e+00 -1.996232024e+00 4.52 -1.993833133e+00 -1.993833133e+00 4.54 -1.991461299e+00 -1.991461299e+00 4.56 -1.988936135e+00 -1.988936135e+00 4.58 -1.986023559e+00 -1.986023559e+00 4.60 -1.982239792e+00 -1.982239792e+00 4.62 -1.976723804e+00 -1.976723804e+00 4.64 -1.968321764e+00 -1.968321764e+00 4.66 -1.955979727e+00 -1.955979727e+00 4.68 -1.938753263e+00 -1.938753263e+00 4.70 -1.916182244e+00 -1.916182244e+00 4.72 -1.888673808e+00 -1.888673808e+00 4.74 -1.856986294e+00 -1.856986294e+00 4.76 -1.822104747e+00 -1.822104747e+00 4.78 -1.785071140e+00 -1.785071140e+00 4.80 -1.746775899e+00 -1.746775899e+00 4.82 -1.707400889e+00 -1.707400889e+00 4.84 -1.666702182e+00 -1.666702182e+00 4.86 -1.624581313e+00 -1.624581313e+00 4.88 -1.581159266e+00 -1.581159266e+00 4.90 -1.536565994e+00 -1.536565994e+00 4.92 -1.490882539e+00 -1.490882539e+00 4.94 -1.444636771e+00 -1.444636771e+00 4.96 -1.396940741e+00 -1.396940741e+00 4.98 -1.348885339e+00 -1.348885339e+00 5.00 -1.304376120e+00 -1.304376120e+00 5.02 -1.269069505e+00 -1.269069505e+00 5.04 -1.247488515e+00 -1.247488515e+00 5.06 -1.236926605e+00 -1.236926605e+00 5.08 -1.232373489e+00 -1.232373489e+00 5.10 -1.229139928e+00 -1.229139928e+00 5.12 -1.223128485e+00 -1.223128485e+00 5.14 -1.210287780e+00 -1.210287780e+00 5.16 -1.186975002e+00 -1.186975002e+00 5.18 -1.151920183e+00 -1.151920183e+00 5.20 -1.104282204e+00 -1.104282204e+00 5.22 -1.044689128e+00 -1.044689128e+00 5.24 -9.767431982e-01 -9.767431982e-01 5.26 -9.075612647e-01 -9.075612647e-01 5.28 -8.446611227e-01 -8.446611227e-01 5.30 -7.908292102e-01 -7.908292102e-01 5.32 -7.467807138e-01 -7.467807138e-01 5.34 -7.129229278e-01 -7.129229278e-01 5.36 -6.887893952e-01 -6.887893952e-01 5.38 -6.721778475e-01 -6.721778475e-01 5.40 -6.533363174e-01 -6.533363174e-01 5.42 -6.304556286e-01 -6.304556286e-01 5.44 -6.041312361e-01 -6.041312361e-01 5.46 -5.750830733e-01 -5.750830733e-01 5.48 -5.440564827e-01 -5.440564827e-01 5.50 -5.118271258e-01 -5.118271258e-01 5.52 -4.791898819e-01 -4.791898819e-01 5.54 -4.469118376e-01 -4.469118376e-01 5.56 -4.149723396e-01 -4.149723396e-01 5.58 -3.827048786e-01 -3.827048786e-01 5.60 -3.492853651e-01 -3.492853651e-01 5.62 -3.140770994e-01 -3.140770994e-01 5.64 -2.767434979e-01 -2.767434979e-01 5.66 -2.352963630e-01 -2.352963630e-01 5.68 -1.854343549e-01 -1.854343549e-01 5.70 -1.295645299e-01 -1.295645299e-01 5.72 -7.717172856e-02 -7.717172856e-02 5.74 -3.728197177e-02 -3.728197177e-02 5.76 -1.586782551e-02 -1.586782551e-02 5.78 -1.427943052e-02 -1.427943052e-02 5.80 -2.897746296e-02 -2.897746296e-02 5.82 -5.225918896e-02 -5.225918896e-02 5.84 -7.427352661e-02 -7.427352661e-02 5.86 -8.763804243e-02 -8.763804243e-02 5.88 -8.965912333e-02 -8.965912333e-02 5.90 -8.319344077e-02 -8.319344077e-02 5.92 -7.608191511e-02 -7.608191511e-02 5.94 -7.860481164e-02 -7.860481164e-02 5.96 -9.779832547e-02 -9.779832547e-02 5.98 -1.277669757e-01 -1.277669757e-01 6.00 -1.522913850e-01 -1.522913850e-01