# 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 = Ta2WZr # 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 3.560951280e+02 3.560951280e+02 1.08 3.310592764e+02 3.310592764e+02 1.10 3.074714724e+02 3.074714724e+02 1.12 2.852460364e+02 2.852460364e+02 1.14 2.641331777e+02 2.641331777e+02 1.16 2.446520267e+02 2.446520267e+02 1.18 2.271331194e+02 2.271331194e+02 1.20 2.103315962e+02 2.103315962e+02 1.22 1.943883906e+02 1.943883906e+02 1.24 1.796593075e+02 1.796593075e+02 1.26 1.657042085e+02 1.657042085e+02 1.28 1.524479548e+02 1.524479548e+02 1.30 1.404650497e+02 1.404650497e+02 1.32 1.296248611e+02 1.296248611e+02 1.34 1.198580285e+02 1.198580285e+02 1.36 1.108096818e+02 1.108096818e+02 1.38 1.024767059e+02 1.024767059e+02 1.40 9.487884290e+01 9.487884290e+01 1.42 8.779229848e+01 8.779229848e+01 1.44 8.111847217e+01 8.111847217e+01 1.46 7.487326841e+01 7.487326841e+01 1.48 6.927002907e+01 6.927002907e+01 1.50 6.418407977e+01 6.418407977e+01 1.52 5.939388513e+01 5.939388513e+01 1.54 5.495652255e+01 5.495652255e+01 1.56 5.090340077e+01 5.090340077e+01 1.58 4.722800461e+01 4.722800461e+01 1.60 4.389704700e+01 4.389704700e+01 1.62 4.086875453e+01 4.086875453e+01 1.64 3.802466189e+01 3.802466189e+01 1.66 3.535775274e+01 3.535775274e+01 1.68 3.296716845e+01 3.296716845e+01 1.70 3.084537988e+01 3.084537988e+01 1.72 2.881974737e+01 2.881974737e+01 1.74 2.668398588e+01 2.668398588e+01 1.76 2.464236179e+01 2.464236179e+01 1.78 2.279141908e+01 2.279141908e+01 1.80 2.114502762e+01 2.114502762e+01 1.82 1.960134185e+01 1.960134185e+01 1.84 1.811994879e+01 1.811994879e+01 1.86 1.666228289e+01 1.666228289e+01 1.88 1.533319262e+01 1.533319262e+01 1.90 1.415439858e+01 1.415439858e+01 1.92 1.310012103e+01 1.310012103e+01 1.94 1.210090813e+01 1.210090813e+01 1.96 1.108568679e+01 1.108568679e+01 1.98 1.001594433e+01 1.001594433e+01 2.00 8.873059433e+00 8.873059433e+00 2.02 7.789275768e+00 7.789275768e+00 2.04 6.824458256e+00 6.824458256e+00 2.06 6.015467498e+00 6.015467498e+00 2.08 5.298569228e+00 5.298569228e+00 2.10 4.660861034e+00 4.660861034e+00 2.12 4.061189379e+00 4.061189379e+00 2.14 3.463781643e+00 3.463781643e+00 2.16 2.867561147e+00 2.867561147e+00 2.18 2.314794424e+00 2.314794424e+00 2.20 1.714093824e+00 1.714093824e+00 2.22 1.136711126e+00 1.136711126e+00 2.24 6.173373120e-01 6.173373120e-01 2.26 1.880402815e-01 1.880402815e-01 2.28 -1.971846702e-01 -1.971846702e-01 2.30 -5.633516858e-01 -5.633516858e-01 2.32 -9.414359759e-01 -9.414359759e-01 2.34 -1.334148091e+00 -1.334148091e+00 2.36 -1.859942695e+00 -1.859942695e+00 2.38 -2.574530191e+00 -2.574530191e+00 2.40 -3.216213313e+00 -3.216213313e+00 2.42 -3.752900428e+00 -3.752900428e+00 2.44 -4.225188374e+00 -4.225188374e+00 2.46 -4.626918574e+00 -4.626918574e+00 2.48 -4.979001550e+00 -4.979001550e+00 2.50 -5.294720668e+00 -5.294720668e+00 2.52 -5.583996383e+00 -5.583996383e+00 2.54 -5.853927262e+00 -5.853927262e+00 2.56 -6.110511565e+00 -6.110511565e+00 2.58 -6.352487761e+00 -6.352487761e+00 2.60 -6.577061635e+00 -6.577061635e+00 2.62 -6.779597455e+00 -6.779597455e+00 2.64 -6.963307956e+00 -6.963307956e+00 2.66 -7.127653151e+00 -7.127653151e+00 2.68 -7.260350574e+00 -7.260350574e+00 2.70 -7.380101110e+00 -7.380101110e+00 2.72 -7.489345936e+00 -7.489345936e+00 2.74 -7.576515676e+00 -7.576515676e+00 2.76 -7.641089489e+00 -7.641089489e+00 2.78 -7.685697693e+00 -7.685697693e+00 2.80 -7.716628407e+00 -7.716628407e+00 2.82 -7.748222768e+00 -7.748222768e+00 2.84 -7.779572102e+00 -7.779572102e+00 2.86 -7.807777084e+00 -7.807777084e+00 2.88 -7.826770954e+00 -7.826770954e+00 2.90 -7.833469324e+00 -7.833469324e+00 2.92 -7.821632814e+00 -7.821632814e+00 2.94 -7.791852571e+00 -7.791852571e+00 2.96 -7.744432437e+00 -7.744432437e+00 2.98 -7.682521530e+00 -7.682521530e+00 3.00 -7.610920842e+00 -7.610920842e+00 3.02 -7.537685222e+00 -7.537685222e+00 3.04 -7.470866417e+00 -7.470866417e+00 3.06 -7.410081703e+00 -7.410081703e+00 3.08 -7.351728724e+00 -7.351728724e+00 3.10 -7.301817311e+00 -7.301817311e+00 3.12 -7.255419671e+00 -7.255419671e+00 3.14 -7.209155277e+00 -7.209155277e+00 3.16 -7.158679399e+00 -7.158679399e+00 3.18 -7.098762254e+00 -7.098762254e+00 3.20 -7.034333848e+00 -7.034333848e+00 3.22 -6.965721677e+00 -6.965721677e+00 3.24 -6.902646267e+00 -6.902646267e+00 3.26 -6.843441123e+00 -6.843441123e+00 3.28 -6.781491362e+00 -6.781491362e+00 3.30 -6.716717043e+00 -6.716717043e+00 3.32 -6.642545286e+00 -6.642545286e+00 3.34 -6.563839723e+00 -6.563839723e+00 3.36 -6.491185305e+00 -6.491185305e+00 3.38 -6.413145950e+00 -6.413145950e+00 3.40 -6.309858214e+00 -6.309858214e+00 3.42 -6.214106402e+00 -6.214106402e+00 3.44 -6.136800647e+00 -6.136800647e+00 3.46 -6.066077588e+00 -6.066077588e+00 3.48 -5.995339026e+00 -5.995339026e+00 3.50 -5.921154131e+00 -5.921154131e+00 3.52 -5.849505361e+00 -5.849505361e+00 3.54 -5.785494486e+00 -5.785494486e+00 3.56 -5.730049867e+00 -5.730049867e+00 3.58 -5.682883477e+00 -5.682883477e+00 3.60 -5.641423086e+00 -5.641423086e+00 3.62 -5.598867445e+00 -5.598867445e+00 3.64 -5.553280825e+00 -5.553280825e+00 3.66 -5.502012532e+00 -5.502012532e+00 3.68 -5.443235392e+00 -5.443235392e+00 3.70 -5.382238100e+00 -5.382238100e+00 3.72 -5.314604125e+00 -5.314604125e+00 3.74 -5.248575823e+00 -5.248575823e+00 3.76 -5.187163512e+00 -5.187163512e+00 3.78 -5.130301150e+00 -5.130301150e+00 3.80 -5.077170127e+00 -5.077170127e+00 3.82 -5.015435506e+00 -5.015435506e+00 3.84 -4.935801861e+00 -4.935801861e+00 3.86 -4.836849918e+00 -4.836849918e+00 3.88 -4.724329570e+00 -4.724329570e+00 3.90 -4.612334702e+00 -4.612334702e+00 3.92 -4.489403523e+00 -4.489403523e+00 3.94 -4.329513348e+00 -4.329513348e+00 3.96 -4.142378265e+00 -4.142378265e+00 3.98 -3.954662032e+00 -3.954662032e+00 4.00 -3.779334944e+00 -3.779334944e+00 4.02 -3.614725610e+00 -3.614725610e+00 4.04 -3.456107633e+00 -3.456107633e+00 4.06 -3.301523200e+00 -3.301523200e+00 4.08 -3.149688086e+00 -3.149688086e+00 4.10 -2.999577726e+00 -2.999577726e+00 4.12 -2.852057985e+00 -2.852057985e+00 4.14 -2.709844165e+00 -2.709844165e+00 4.16 -2.579923410e+00 -2.579923410e+00 4.18 -2.469339469e+00 -2.469339469e+00 4.20 -2.382114196e+00 -2.382114196e+00 4.22 -2.314781245e+00 -2.314781245e+00 4.24 -2.260885349e+00 -2.260885349e+00 4.26 -2.216097912e+00 -2.216097912e+00 4.28 -2.177593268e+00 -2.177593268e+00 4.30 -2.143428828e+00 -2.143428828e+00 4.32 -2.112222450e+00 -2.112222450e+00 4.34 -2.083142496e+00 -2.083142496e+00 4.36 -2.056054784e+00 -2.056054784e+00 4.38 -2.030809330e+00 -2.030809330e+00 4.40 -2.007153516e+00 -2.007153516e+00 4.42 -1.984775924e+00 -1.984775924e+00 4.44 -1.963350436e+00 -1.963350436e+00 4.46 -1.942305311e+00 -1.942305311e+00 4.48 -1.921052614e+00 -1.921052614e+00 4.50 -1.899817779e+00 -1.899817779e+00 4.52 -1.878926741e+00 -1.878926741e+00 4.54 -1.858707304e+00 -1.858707304e+00 4.56 -1.839479217e+00 -1.839479217e+00 4.58 -1.821694176e+00 -1.821694176e+00 4.60 -1.805919420e+00 -1.805919420e+00 4.62 -1.792035038e+00 -1.792035038e+00 4.64 -1.779219499e+00 -1.779219499e+00 4.66 -1.766609235e+00 -1.766609235e+00 4.68 -1.753334500e+00 -1.753334500e+00 4.70 -1.738556978e+00 -1.738556978e+00 4.72 -1.721462127e+00 -1.721462127e+00 4.74 -1.701377055e+00 -1.701377055e+00 4.76 -1.678804673e+00 -1.678804673e+00 4.78 -1.654853152e+00 -1.654853152e+00 4.80 -1.630621302e+00 -1.630621302e+00 4.82 -1.606867388e+00 -1.606867388e+00 4.84 -1.584188264e+00 -1.584188264e+00 4.86 -1.563178805e+00 -1.563178805e+00 4.88 -1.544025267e+00 -1.544025267e+00 4.90 -1.525692735e+00 -1.525692735e+00 4.92 -1.506980735e+00 -1.506980735e+00 4.94 -1.487168197e+00 -1.487168197e+00 4.96 -1.465630825e+00 -1.465630825e+00 4.98 -1.441739793e+00 -1.441739793e+00 5.00 -1.414882239e+00 -1.414882239e+00 5.02 -1.385283759e+00 -1.385283759e+00 5.04 -1.353878189e+00 -1.353878189e+00 5.06 -1.320828362e+00 -1.320828362e+00 5.08 -1.286212363e+00 -1.286212363e+00 5.10 -1.250170639e+00 -1.250170639e+00 5.12 -1.212868160e+00 -1.212868160e+00 5.14 -1.174458845e+00 -1.174458845e+00 5.16 -1.134672012e+00 -1.134672012e+00 5.18 -1.093663524e+00 -1.093663524e+00 5.20 -1.051627388e+00 -1.051627388e+00 5.22 -1.008702854e+00 -1.008702854e+00 5.24 -9.649821596e-01 -9.649821596e-01 5.26 -9.204097133e-01 -9.204097133e-01 5.28 -8.751146526e-01 -8.751146526e-01 5.30 -8.298345738e-01 -8.298345738e-01 5.32 -7.854340830e-01 -7.854340830e-01 5.34 -7.435336286e-01 -7.435336286e-01 5.36 -7.066460536e-01 -7.066460536e-01 5.38 -6.756139062e-01 -6.756139062e-01 5.40 -6.466706980e-01 -6.466706980e-01 5.42 -6.191885567e-01 -6.191885567e-01 5.44 -5.917775952e-01 -5.917775952e-01 5.46 -5.637482447e-01 -5.637482447e-01 5.48 -5.353134459e-01 -5.353134459e-01 5.50 -5.074441018e-01 -5.074441018e-01 5.52 -4.816474561e-01 -4.816474561e-01 5.54 -4.595859869e-01 -4.595859869e-01 5.56 -4.418066543e-01 -4.418066543e-01 5.58 -4.276264048e-01 -4.276264048e-01 5.60 -4.159296000e-01 -4.159296000e-01 5.62 -4.053810527e-01 -4.053810527e-01 5.64 -3.945664827e-01 -3.945664827e-01 5.66 -3.820690828e-01 -3.820690828e-01 5.68 -3.668825219e-01 -3.668825219e-01 5.70 -3.499803410e-01 -3.499803410e-01 5.72 -3.330190834e-01 -3.330190834e-01 5.74 -3.176430847e-01 -3.176430847e-01 5.76 -3.054653430e-01 -3.054653430e-01 5.78 -2.980470220e-01 -2.980470220e-01 5.80 -2.968480728e-01 -2.968480728e-01 5.82 -3.021453687e-01 -3.021453687e-01 5.84 -3.117952990e-01 -3.117952990e-01 5.86 -3.234815899e-01 -3.234815899e-01 5.88 -3.350901141e-01 -3.350901141e-01 5.90 -3.446712922e-01 -3.446712922e-01 5.92 -3.503481787e-01 -3.503481787e-01 5.94 -3.502644966e-01 -3.502644966e-01 5.96 -3.437394655e-01 -3.437394655e-01 5.98 -3.312777956e-01 -3.312777956e-01 6.00 -3.131708166e-01 -3.131708166e-01