# 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 = NbTiZr2 # 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 1.010291654e+03 1.010291654e+03 1.08 8.820347005e+02 8.820347005e+02 1.10 7.711690533e+02 7.711690533e+02 1.12 6.751725285e+02 6.751725285e+02 1.14 5.912314630e+02 5.912314630e+02 1.16 5.184203144e+02 5.184203144e+02 1.18 4.554037001e+02 4.554037001e+02 1.20 4.006171626e+02 4.006171626e+02 1.22 3.529597801e+02 3.529597801e+02 1.24 3.114620515e+02 3.114620515e+02 1.26 2.750987937e+02 2.750987937e+02 1.28 2.433299131e+02 2.433299131e+02 1.30 2.157464251e+02 2.157464251e+02 1.32 1.915394226e+02 1.915394226e+02 1.34 1.701696001e+02 1.701696001e+02 1.36 1.512472871e+02 1.512472871e+02 1.38 1.347266542e+02 1.347266542e+02 1.40 1.201490545e+02 1.201490545e+02 1.42 1.071366662e+02 1.071366662e+02 1.44 9.563823031e+01 9.563823031e+01 1.46 8.545356412e+01 8.545356412e+01 1.48 7.646958581e+01 7.646958581e+01 1.50 6.855973367e+01 6.855973367e+01 1.52 6.152536056e+01 6.152536056e+01 1.54 5.528693773e+01 5.528693773e+01 1.56 4.967811215e+01 4.967811215e+01 1.58 4.466325512e+01 4.466325512e+01 1.60 4.026571886e+01 4.026571886e+01 1.62 3.642694169e+01 3.642694169e+01 1.64 3.296318222e+01 3.296318222e+01 1.66 2.978313430e+01 2.978313430e+01 1.68 2.685994144e+01 2.685994144e+01 1.70 2.420981208e+01 2.420981208e+01 1.72 2.186475923e+01 2.186475923e+01 1.74 1.978859231e+01 1.978859231e+01 1.76 1.792967864e+01 1.792967864e+01 1.78 1.630528618e+01 1.630528618e+01 1.80 1.489975672e+01 1.489975672e+01 1.82 1.356713962e+01 1.356713962e+01 1.84 1.234608665e+01 1.234608665e+01 1.86 1.117553868e+01 1.117553868e+01 1.88 1.010730073e+01 1.010730073e+01 1.90 9.160491005e+00 9.160491005e+00 1.92 8.329628722e+00 8.329628722e+00 1.94 7.639507573e+00 7.639507573e+00 1.96 7.029125396e+00 7.029125396e+00 1.98 6.451811747e+00 6.451811747e+00 2.00 5.878790179e+00 5.878790179e+00 2.02 5.340134716e+00 5.340134716e+00 2.04 4.871333837e+00 4.871333837e+00 2.06 4.417254027e+00 4.417254027e+00 2.08 3.926899685e+00 3.926899685e+00 2.10 3.446573668e+00 3.446573668e+00 2.12 2.991468911e+00 2.991468911e+00 2.14 2.572710737e+00 2.572710737e+00 2.16 2.188068894e+00 2.188068894e+00 2.18 1.792216895e+00 1.792216895e+00 2.20 1.142807453e+00 1.142807453e+00 2.22 5.167214888e-01 5.167214888e-01 2.24 -7.645276539e-02 -7.645276539e-02 2.26 -6.130587895e-01 -6.130587895e-01 2.28 -1.027250556e+00 -1.027250556e+00 2.30 -1.374652710e+00 -1.374652710e+00 2.32 -1.691417579e+00 -1.691417579e+00 2.34 -1.990225290e+00 -1.990225290e+00 2.36 -2.278489123e+00 -2.278489123e+00 2.38 -2.558320996e+00 -2.558320996e+00 2.40 -2.820175278e+00 -2.820175278e+00 2.42 -3.057267328e+00 -3.057267328e+00 2.44 -3.275185750e+00 -3.275185750e+00 2.46 -3.492784238e+00 -3.492784238e+00 2.48 -3.714386689e+00 -3.714386689e+00 2.50 -3.921376809e+00 -3.921376809e+00 2.52 -4.115951462e+00 -4.115951462e+00 2.54 -4.295271256e+00 -4.295271256e+00 2.56 -4.467162895e+00 -4.467162895e+00 2.58 -4.625367301e+00 -4.625367301e+00 2.60 -4.787084797e+00 -4.787084797e+00 2.62 -4.963101161e+00 -4.963101161e+00 2.64 -5.147099011e+00 -5.147099011e+00 2.66 -5.323917770e+00 -5.323917770e+00 2.68 -5.481390680e+00 -5.481390680e+00 2.70 -5.614800414e+00 -5.614800414e+00 2.72 -5.723493149e+00 -5.723493149e+00 2.74 -5.814083081e+00 -5.814083081e+00 2.76 -5.895579630e+00 -5.895579630e+00 2.78 -5.969407677e+00 -5.969407677e+00 2.80 -6.032338675e+00 -6.032338675e+00 2.82 -6.082304360e+00 -6.082304360e+00 2.84 -6.120632606e+00 -6.120632606e+00 2.86 -6.151195059e+00 -6.151195059e+00 2.88 -6.176834097e+00 -6.176834097e+00 2.90 -6.199955840e+00 -6.199955840e+00 2.92 -6.217942441e+00 -6.217942441e+00 2.94 -6.233515786e+00 -6.233515786e+00 2.96 -6.249005977e+00 -6.249005977e+00 2.98 -6.254243331e+00 -6.254243331e+00 3.00 -6.246840286e+00 -6.246840286e+00 3.02 -6.229909709e+00 -6.229909709e+00 3.04 -6.203466934e+00 -6.203466934e+00 3.06 -6.167780927e+00 -6.167780927e+00 3.08 -6.126948443e+00 -6.126948443e+00 3.10 -6.088821379e+00 -6.088821379e+00 3.12 -6.056600357e+00 -6.056600357e+00 3.14 -6.024059950e+00 -6.024059950e+00 3.16 -5.981494412e+00 -5.981494412e+00 3.18 -5.917627497e+00 -5.917627497e+00 3.20 -5.840497813e+00 -5.840497813e+00 3.22 -5.771057002e+00 -5.771057002e+00 3.24 -5.728940294e+00 -5.728940294e+00 3.26 -5.699864351e+00 -5.699864351e+00 3.28 -5.670292994e+00 -5.670292994e+00 3.30 -5.639815966e+00 -5.639815966e+00 3.32 -5.607811380e+00 -5.607811380e+00 3.34 -5.573679497e+00 -5.573679497e+00 3.36 -5.536075134e+00 -5.536075134e+00 3.38 -5.492122028e+00 -5.492122028e+00 3.40 -5.436022354e+00 -5.436022354e+00 3.42 -5.362806998e+00 -5.362806998e+00 3.44 -5.268109514e+00 -5.268109514e+00 3.46 -5.155871735e+00 -5.155871735e+00 3.48 -5.041694159e+00 -5.041694159e+00 3.50 -4.942534952e+00 -4.942534952e+00 3.52 -4.856671962e+00 -4.856671962e+00 3.54 -4.773826699e+00 -4.773826699e+00 3.56 -4.684652227e+00 -4.684652227e+00 3.58 -4.583007318e+00 -4.583007318e+00 3.60 -4.465251435e+00 -4.465251435e+00 3.62 -4.337827290e+00 -4.337827290e+00 3.64 -4.211933600e+00 -4.211933600e+00 3.66 -4.094877178e+00 -4.094877178e+00 3.68 -3.987671014e+00 -3.987671014e+00 3.70 -3.886383101e+00 -3.886383101e+00 3.72 -3.786818499e+00 -3.786818499e+00 3.74 -3.687596819e+00 -3.687596819e+00 3.76 -3.591041806e+00 -3.591041806e+00 3.78 -3.500242598e+00 -3.500242598e+00 3.80 -3.418110717e+00 -3.418110717e+00 3.82 -3.336051741e+00 -3.336051741e+00 3.84 -3.249002896e+00 -3.249002896e+00 3.86 -3.156318553e+00 -3.156318553e+00 3.88 -3.057896828e+00 -3.057896828e+00 3.90 -2.954697973e+00 -2.954697973e+00 3.92 -2.851370320e+00 -2.851370320e+00 3.94 -2.755563738e+00 -2.755563738e+00 3.96 -2.669216871e+00 -2.669216871e+00 3.98 -2.586869353e+00 -2.586869353e+00 4.00 -2.499707891e+00 -2.499707891e+00 4.02 -2.408838791e+00 -2.408838791e+00 4.04 -2.321398359e+00 -2.321398359e+00 4.06 -2.243499739e+00 -2.243499739e+00 4.08 -2.177200833e+00 -2.177200833e+00 4.10 -2.120920358e+00 -2.120920358e+00 4.12 -2.072841186e+00 -2.072841186e+00 4.14 -2.031151568e+00 -2.031151568e+00 4.16 -1.994142420e+00 -1.994142420e+00 4.18 -1.960157002e+00 -1.960157002e+00 4.20 -1.927673658e+00 -1.927673658e+00 4.22 -1.896011188e+00 -1.896011188e+00 4.24 -1.864989901e+00 -1.864989901e+00 4.26 -1.834551934e+00 -1.834551934e+00 4.28 -1.804617156e+00 -1.804617156e+00 4.30 -1.775081180e+00 -1.775081180e+00 4.32 -1.745830107e+00 -1.745830107e+00 4.34 -1.716812314e+00 -1.716812314e+00 4.36 -1.688212671e+00 -1.688212671e+00 4.38 -1.660280915e+00 -1.660280915e+00 4.40 -1.633148518e+00 -1.633148518e+00 4.42 -1.606756245e+00 -1.606756245e+00 4.44 -1.581062051e+00 -1.581062051e+00 4.46 -1.556205400e+00 -1.556205400e+00 4.48 -1.532322580e+00 -1.532322580e+00 4.50 -1.509266448e+00 -1.509266448e+00 4.52 -1.486832236e+00 -1.486832236e+00 4.54 -1.464762707e+00 -1.464762707e+00 4.56 -1.442731695e+00 -1.442731695e+00 4.58 -1.420183139e+00 -1.420183139e+00 4.60 -1.396316894e+00 -1.396316894e+00 4.62 -1.370698162e+00 -1.370698162e+00 4.64 -1.343311912e+00 -1.343311912e+00 4.66 -1.314318204e+00 -1.314318204e+00 4.68 -1.283969720e+00 -1.283969720e+00 4.70 -1.252677353e+00 -1.252677353e+00 4.72 -1.220971012e+00 -1.220971012e+00 4.74 -1.189322188e+00 -1.189322188e+00 4.76 -1.157869427e+00 -1.157869427e+00 4.78 -1.126614504e+00 -1.126614504e+00 4.80 -1.095531960e+00 -1.095531960e+00 4.82 -1.064668394e+00 -1.064668394e+00 4.84 -1.034111998e+00 -1.034111998e+00 4.86 -1.003939988e+00 -1.003939988e+00 4.88 -9.742599050e-01 -9.742599050e-01 4.90 -9.452558716e-01 -9.452558716e-01 4.92 -9.171489697e-01 -9.171489697e-01 4.94 -8.903513366e-01 -8.903513366e-01 4.96 -8.653743884e-01 -8.653743884e-01 4.98 -8.427338917e-01 -8.427338917e-01 5.00 -8.229128072e-01 -8.229128072e-01 5.02 -8.061823914e-01 -8.061823914e-01 5.04 -7.924454489e-01 -7.924454489e-01 5.06 -7.810546085e-01 -7.810546085e-01 5.08 -7.712237675e-01 -7.712237675e-01 5.10 -7.621634543e-01 -7.621634543e-01 5.12 -7.530862195e-01 -7.530862195e-01 5.14 -7.432711435e-01 -7.432711435e-01 5.16 -7.325379273e-01 -7.325379273e-01 5.18 -7.209660493e-01 -7.209660493e-01 5.20 -7.086405468e-01 -7.086405468e-01 5.22 -6.956511796e-01 -6.956511796e-01 5.24 -6.820886629e-01 -6.820886629e-01 5.26 -6.680559634e-01 -6.680559634e-01 5.28 -6.541430904e-01 -6.541430904e-01 5.30 -6.410735726e-01 -6.410735726e-01 5.32 -6.295678813e-01 -6.295678813e-01 5.34 -6.204392821e-01 -6.204392821e-01 5.36 -6.145547288e-01 -6.145547288e-01 5.38 -6.116946570e-01 -6.116946570e-01 5.40 -6.081648097e-01 -6.081648097e-01 5.42 -6.033138098e-01 -6.033138098e-01 5.44 -5.972668217e-01 -5.972668217e-01 5.46 -5.901794752e-01 -5.901794752e-01 5.48 -5.822031056e-01 -5.822031056e-01 5.50 -5.734830019e-01 -5.734830019e-01 5.52 -5.641567150e-01 -5.641567150e-01 5.54 -5.543394297e-01 -5.543394297e-01 5.56 -5.440002132e-01 -5.440002132e-01 5.58 -5.330159806e-01 -5.330159806e-01 5.60 -5.212666079e-01 -5.212666079e-01 5.62 -5.086370569e-01 -5.086370569e-01 5.64 -4.950073824e-01 -4.950073824e-01 5.66 -4.802629077e-01 -4.802629077e-01 5.68 -4.643403610e-01 -4.643403610e-01 5.70 -4.473830004e-01 -4.473830004e-01 5.72 -4.295842221e-01 -4.295842221e-01 5.74 -4.111273669e-01 -4.111273669e-01 5.76 -3.922189399e-01 -3.922189399e-01 5.78 -3.729262343e-01 -3.729262343e-01 5.80 -3.534953618e-01 -3.534953618e-01 5.82 -3.342012968e-01 -3.342012968e-01 5.84 -3.151823078e-01 -3.151823078e-01 5.86 -2.965662638e-01 -2.965662638e-01 5.88 -2.785362736e-01 -2.785362736e-01 5.90 -2.617486593e-01 -2.617486593e-01 5.92 -2.469474893e-01 -2.469474893e-01 5.94 -2.343702098e-01 -2.343702098e-01 5.96 -2.236479651e-01 -2.236479651e-01 5.98 -2.137381438e-01 -2.137381438e-01 6.00 -2.035475933e-01 -2.035475933e-01