# 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 = MoTa2W # 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 4.796787720e+02 4.796787720e+02 1.08 4.441299113e+02 4.441299113e+02 1.10 4.111455236e+02 4.111455236e+02 1.12 3.805497574e+02 3.805497574e+02 1.14 3.522230989e+02 3.522230989e+02 1.16 3.258293287e+02 3.258293287e+02 1.18 3.015371756e+02 3.015371756e+02 1.20 2.787801252e+02 2.787801252e+02 1.22 2.575821213e+02 2.575821213e+02 1.24 2.380058522e+02 2.380058522e+02 1.26 2.197809559e+02 2.197809559e+02 1.28 2.028247856e+02 2.028247856e+02 1.30 1.873394323e+02 1.873394323e+02 1.32 1.733484520e+02 1.733484520e+02 1.34 1.606192928e+02 1.606192928e+02 1.36 1.486998161e+02 1.486998161e+02 1.38 1.376160258e+02 1.376160258e+02 1.40 1.274257507e+02 1.274257507e+02 1.42 1.179431749e+02 1.179431749e+02 1.44 1.091432573e+02 1.091432573e+02 1.46 1.010514689e+02 1.010514689e+02 1.48 9.369611242e+01 9.369611242e+01 1.50 8.695768139e+01 8.695768139e+01 1.52 8.071718063e+01 8.071718063e+01 1.54 7.489965844e+01 7.489965844e+01 1.56 6.950017851e+01 6.950017851e+01 1.58 6.448529583e+01 6.448529583e+01 1.60 5.979147739e+01 5.979147739e+01 1.62 5.537396367e+01 5.537396367e+01 1.64 5.123786212e+01 5.123786212e+01 1.66 4.740707195e+01 4.740707195e+01 1.68 4.387725305e+01 4.387725305e+01 1.70 4.061149011e+01 4.061149011e+01 1.72 3.749610992e+01 3.749610992e+01 1.74 3.429905465e+01 3.429905465e+01 1.76 3.127128258e+01 3.127128258e+01 1.78 2.851425894e+01 2.851425894e+01 1.80 2.604366194e+01 2.604366194e+01 1.82 2.384584500e+01 2.384584500e+01 1.84 2.187286652e+01 2.187286652e+01 1.86 2.007028670e+01 2.007028670e+01 1.88 1.844982364e+01 1.844982364e+01 1.90 1.698203201e+01 1.698203201e+01 1.92 1.566193560e+01 1.566193560e+01 1.94 1.446779753e+01 1.446779753e+01 1.96 1.335027012e+01 1.335027012e+01 1.98 1.223540413e+01 1.223540413e+01 2.00 1.105917217e+01 1.105917217e+01 2.02 9.899826960e+00 9.899826960e+00 2.04 8.756357692e+00 8.756357692e+00 2.06 7.668872701e+00 7.668872701e+00 2.08 6.647671267e+00 6.647671267e+00 2.10 5.678605369e+00 5.678605369e+00 2.12 4.803827041e+00 4.803827041e+00 2.14 3.913298300e+00 3.913298300e+00 2.16 3.057435847e+00 3.057435847e+00 2.18 2.279823165e+00 2.279823165e+00 2.20 1.499297639e+00 1.499297639e+00 2.22 7.880086091e-01 7.880086091e-01 2.24 -1.780029567e-02 -1.780029567e-02 2.26 -6.580106129e-01 -6.580106129e-01 2.28 -1.169052689e+00 -1.169052689e+00 2.30 -1.621846730e+00 -1.621846730e+00 2.32 -2.052991507e+00 -2.052991507e+00 2.34 -2.459561125e+00 -2.459561125e+00 2.36 -2.948546154e+00 -2.948546154e+00 2.38 -3.646755255e+00 -3.646755255e+00 2.40 -4.248028970e+00 -4.248028970e+00 2.42 -4.765143895e+00 -4.765143895e+00 2.44 -5.217536039e+00 -5.217536039e+00 2.46 -5.607774826e+00 -5.607774826e+00 2.48 -5.943279780e+00 -5.943279780e+00 2.50 -6.241222490e+00 -6.241222490e+00 2.52 -6.503751074e+00 -6.503751074e+00 2.54 -6.738065084e+00 -6.738065084e+00 2.56 -6.952599119e+00 -6.952599119e+00 2.58 -7.152327583e+00 -7.152327583e+00 2.60 -7.336950074e+00 -7.336950074e+00 2.62 -7.492611630e+00 -7.492611630e+00 2.64 -7.632780748e+00 -7.632780748e+00 2.66 -7.750282342e+00 -7.750282342e+00 2.68 -7.847115523e+00 -7.847115523e+00 2.70 -7.928969707e+00 -7.928969707e+00 2.72 -7.995997458e+00 -7.995997458e+00 2.74 -8.048980181e+00 -8.048980181e+00 2.76 -8.085976371e+00 -8.085976371e+00 2.78 -8.101349731e+00 -8.101349731e+00 2.80 -8.102388480e+00 -8.102388480e+00 2.82 -8.091711260e+00 -8.091711260e+00 2.84 -8.068453604e+00 -8.068453604e+00 2.86 -8.032518548e+00 -8.032518548e+00 2.88 -7.987742981e+00 -7.987742981e+00 2.90 -7.939569245e+00 -7.939569245e+00 2.92 -7.889929196e+00 -7.889929196e+00 2.94 -7.832765096e+00 -7.832765096e+00 2.96 -7.759325618e+00 -7.759325618e+00 2.98 -7.676462159e+00 -7.676462159e+00 3.00 -7.588066324e+00 -7.588066324e+00 3.02 -7.496337040e+00 -7.496337040e+00 3.04 -7.404488218e+00 -7.404488218e+00 3.06 -7.317209979e+00 -7.317209979e+00 3.08 -7.234317959e+00 -7.234317959e+00 3.10 -7.154990235e+00 -7.154990235e+00 3.12 -7.075615646e+00 -7.075615646e+00 3.14 -6.996886003e+00 -6.996886003e+00 3.16 -6.921926617e+00 -6.921926617e+00 3.18 -6.852848398e+00 -6.852848398e+00 3.20 -6.782841227e+00 -6.782841227e+00 3.22 -6.716847021e+00 -6.716847021e+00 3.24 -6.658737539e+00 -6.658737539e+00 3.26 -6.596224384e+00 -6.596224384e+00 3.28 -6.523443744e+00 -6.523443744e+00 3.30 -6.442051103e+00 -6.442051103e+00 3.32 -6.334582141e+00 -6.334582141e+00 3.34 -6.207313044e+00 -6.207313044e+00 3.36 -6.073211101e+00 -6.073211101e+00 3.38 -5.935645177e+00 -5.935645177e+00 3.40 -5.803453760e+00 -5.803453760e+00 3.42 -5.684471685e+00 -5.684471685e+00 3.44 -5.578079065e+00 -5.578079065e+00 3.46 -5.481201254e+00 -5.481201254e+00 3.48 -5.392273038e+00 -5.392273038e+00 3.50 -5.311300024e+00 -5.311300024e+00 3.52 -5.238511253e+00 -5.238511253e+00 3.54 -5.174721934e+00 -5.174721934e+00 3.56 -5.121225454e+00 -5.121225454e+00 3.58 -5.076005956e+00 -5.076005956e+00 3.60 -5.033497424e+00 -5.033497424e+00 3.62 -4.988139868e+00 -4.988139868e+00 3.64 -4.934453433e+00 -4.934453433e+00 3.66 -4.869287128e+00 -4.869287128e+00 3.68 -4.793686881e+00 -4.793686881e+00 3.70 -4.709260191e+00 -4.709260191e+00 3.72 -4.617290358e+00 -4.617290358e+00 3.74 -4.520404906e+00 -4.520404906e+00 3.76 -4.422520734e+00 -4.422520734e+00 3.78 -4.327028242e+00 -4.327028242e+00 3.80 -4.237918287e+00 -4.237918287e+00 3.82 -4.142685018e+00 -4.142685018e+00 3.84 -4.045062445e+00 -4.045062445e+00 3.86 -3.944234372e+00 -3.944234372e+00 3.88 -3.794763786e+00 -3.794763786e+00 3.90 -3.605288111e+00 -3.605288111e+00 3.92 -3.437667975e+00 -3.437667975e+00 3.94 -3.296216697e+00 -3.296216697e+00 3.96 -3.162424904e+00 -3.162424904e+00 3.98 -3.033861347e+00 -3.033861347e+00 4.00 -2.915646276e+00 -2.915646276e+00 4.02 -2.808146241e+00 -2.808146241e+00 4.04 -2.709559847e+00 -2.709559847e+00 4.06 -2.617140672e+00 -2.617140672e+00 4.08 -2.528429491e+00 -2.528429491e+00 4.10 -2.442067706e+00 -2.442067706e+00 4.12 -2.358222426e+00 -2.358222426e+00 4.14 -2.278659494e+00 -2.278659494e+00 4.16 -2.205381874e+00 -2.205381874e+00 4.18 -2.140696313e+00 -2.140696313e+00 4.20 -2.087083370e+00 -2.087083370e+00 4.22 -2.045948155e+00 -2.045948155e+00 4.24 -2.016604902e+00 -2.016604902e+00 4.26 -1.996961984e+00 -1.996961984e+00 4.28 -1.984647992e+00 -1.984647992e+00 4.30 -1.977131661e+00 -1.977131661e+00 4.32 -1.971775584e+00 -1.971775584e+00 4.34 -1.966126482e+00 -1.966126482e+00 4.36 -1.959643488e+00 -1.959643488e+00 4.38 -1.952632425e+00 -1.952632425e+00 4.40 -1.945423490e+00 -1.945423490e+00 4.42 -1.938355605e+00 -1.938355605e+00 4.44 -1.931772902e+00 -1.931772902e+00 4.46 -1.925429019e+00 -1.925429019e+00 4.48 -1.918121446e+00 -1.918121446e+00 4.50 -1.909861593e+00 -1.909861593e+00 4.52 -1.900838911e+00 -1.900838911e+00 4.54 -1.891238030e+00 -1.891238030e+00 4.56 -1.881250824e+00 -1.881250824e+00 4.58 -1.871391266e+00 -1.871391266e+00 4.60 -1.862628983e+00 -1.862628983e+00 4.62 -1.854908679e+00 -1.854908679e+00 4.64 -1.847156990e+00 -1.847156990e+00 4.66 -1.838243009e+00 -1.838243009e+00 4.68 -1.827036931e+00 -1.827036931e+00 4.70 -1.812707771e+00 -1.812707771e+00 4.72 -1.794830952e+00 -1.794830952e+00 4.74 -1.773220642e+00 -1.773220642e+00 4.76 -1.749064473e+00 -1.749064473e+00 4.78 -1.724174022e+00 -1.724174022e+00 4.80 -1.700332564e+00 -1.700332564e+00 4.82 -1.678559426e+00 -1.678559426e+00 4.84 -1.659269585e+00 -1.659269585e+00 4.86 -1.642848599e+00 -1.642848599e+00 4.88 -1.629109729e+00 -1.629109729e+00 4.90 -1.616427442e+00 -1.616427442e+00 4.92 -1.602990305e+00 -1.602990305e+00 4.94 -1.587844347e+00 -1.587844347e+00 4.96 -1.570537094e+00 -1.570537094e+00 4.98 -1.550703451e+00 -1.550703451e+00 5.00 -1.528090231e+00 -1.528090231e+00 5.02 -1.503652523e+00 -1.503652523e+00 5.04 -1.479112348e+00 -1.479112348e+00 5.06 -1.454364343e+00 -1.454364343e+00 5.08 -1.428736401e+00 -1.428736401e+00 5.10 -1.401605297e+00 -1.401605297e+00 5.12 -1.372442819e+00 -1.372442819e+00 5.14 -1.340632432e+00 -1.340632432e+00 5.16 -1.304990634e+00 -1.304990634e+00 5.18 -1.265530437e+00 -1.265530437e+00 5.20 -1.222532450e+00 -1.222532450e+00 5.22 -1.176227411e+00 -1.176227411e+00 5.24 -1.126737774e+00 -1.126737774e+00 5.26 -1.074103502e+00 -1.074103502e+00 5.28 -1.019219815e+00 -1.019219815e+00 5.30 -9.639974550e-01 -9.639974550e-01 5.32 -9.092661605e-01 -9.092661605e-01 5.34 -8.567409289e-01 -8.567409289e-01 5.36 -8.119108500e-01 -8.119108500e-01 5.38 -7.767703933e-01 -7.767703933e-01 5.40 -7.430879009e-01 -7.430879009e-01 5.42 -7.098824482e-01 -7.098824482e-01 5.44 -6.760563013e-01 -6.760563013e-01 5.46 -6.412428005e-01 -6.412428005e-01 5.48 -6.059747923e-01 -6.059747923e-01 5.50 -5.715409894e-01 -5.715409894e-01 5.52 -5.397641724e-01 -5.397641724e-01 5.54 -5.126202187e-01 -5.126202187e-01 5.56 -4.908826207e-01 -4.908826207e-01 5.58 -4.739812712e-01 -4.739812712e-01 5.60 -4.609076493e-01 -4.609076493e-01 5.62 -4.504340908e-01 -4.504340908e-01 5.64 -4.412536688e-01 -4.412536688e-01 5.66 -4.320564279e-01 -4.320564279e-01 5.68 -4.218432456e-01 -4.218432456e-01 5.70 -4.111683655e-01 -4.111683655e-01 5.72 -4.011586288e-01 -4.011586288e-01 5.74 -3.929314568e-01 -3.929314568e-01 5.76 -3.875746807e-01 -3.875746807e-01 5.78 -3.861255245e-01 -3.861255245e-01 5.80 -3.895221123e-01 -3.895221123e-01 5.82 -3.977373706e-01 -3.977373706e-01 5.84 -4.087513141e-01 -4.087513141e-01 5.86 -4.204210278e-01 -4.204210278e-01 5.88 -4.308027900e-01 -4.308027900e-01 5.90 -4.381154042e-01 -4.381154042e-01 5.92 -4.406495286e-01 -4.406495286e-01 5.94 -4.367057240e-01 -4.367057240e-01 5.96 -4.256115941e-01 -4.256115941e-01 5.98 -4.078297831e-01 -4.078297831e-01 6.00 -3.836210118e-01 -3.836210118e-01