# 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 = Nb2TaTi # 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 3.351346672e+03 3.351346672e+03 1.08 2.941802945e+03 2.941802945e+03 1.10 2.584469233e+03 2.584469233e+03 1.12 2.272421372e+03 2.272421372e+03 1.14 1.998829635e+03 1.998829635e+03 1.16 1.758331161e+03 1.758331161e+03 1.18 1.547509391e+03 1.547509391e+03 1.20 1.362403198e+03 1.362403198e+03 1.22 1.199412866e+03 1.199412866e+03 1.24 1.055922600e+03 1.055922600e+03 1.26 9.299970003e+02 9.299970003e+02 1.28 8.193465075e+02 8.193465075e+02 1.30 7.219179251e+02 7.219179251e+02 1.32 6.362310325e+02 6.362310325e+02 1.34 5.608115000e+02 5.608115000e+02 1.36 4.943498926e+02 4.943498926e+02 1.38 4.357766394e+02 4.357766394e+02 1.40 3.841296117e+02 3.841296117e+02 1.42 3.384641983e+02 3.384641983e+02 1.44 2.981270134e+02 2.981270134e+02 1.46 2.625862106e+02 2.625862106e+02 1.48 2.315943840e+02 2.315943840e+02 1.50 2.043364844e+02 2.043364844e+02 1.52 1.803071080e+02 1.803071080e+02 1.54 1.590478303e+02 1.590478303e+02 1.56 1.402820409e+02 1.402820409e+02 1.58 1.237034702e+02 1.237034702e+02 1.60 1.090134939e+02 1.090134939e+02 1.62 9.605666022e+01 9.605666022e+01 1.64 8.470685402e+01 8.470685402e+01 1.66 7.471338258e+01 7.471338258e+01 1.68 6.583692077e+01 6.583692077e+01 1.70 5.799118832e+01 5.799118832e+01 1.72 5.112423825e+01 5.112423825e+01 1.74 4.509740289e+01 4.509740289e+01 1.76 3.974071626e+01 3.974071626e+01 1.78 3.495939349e+01 3.495939349e+01 1.80 3.071624859e+01 3.071624859e+01 1.82 2.696645156e+01 2.696645156e+01 1.84 2.364995440e+01 2.364995440e+01 1.86 2.073342709e+01 2.073342709e+01 1.88 1.817320832e+01 1.817320832e+01 1.90 1.592475312e+01 1.592475312e+01 1.92 1.396397478e+01 1.396397478e+01 1.94 1.226042107e+01 1.226042107e+01 1.96 1.076902223e+01 1.076902223e+01 1.98 9.434641702e+00 9.434641702e+00 2.00 8.210939720e+00 8.210939720e+00 2.02 7.114928682e+00 7.114928682e+00 2.04 6.117019683e+00 6.117019683e+00 2.06 5.202590303e+00 5.202590303e+00 2.08 4.360026433e+00 4.360026433e+00 2.10 3.566716926e+00 3.566716926e+00 2.12 2.821651778e+00 2.821651778e+00 2.14 2.112209857e+00 2.112209857e+00 2.16 1.457178231e+00 1.457178231e+00 2.18 8.649556432e-01 8.649556432e-01 2.20 3.354635755e-01 3.354635755e-01 2.22 -2.494433689e-01 -2.494433689e-01 2.24 -7.790584901e-01 -7.790584901e-01 2.26 -1.287420231e+00 -1.287420231e+00 2.28 -1.750283960e+00 -1.750283960e+00 2.30 -2.157540354e+00 -2.157540354e+00 2.32 -2.498283786e+00 -2.498283786e+00 2.34 -2.803383261e+00 -2.803383261e+00 2.36 -3.116007625e+00 -3.116007625e+00 2.38 -3.450448815e+00 -3.450448815e+00 2.40 -3.784809163e+00 -3.784809163e+00 2.42 -4.110519316e+00 -4.110519316e+00 2.44 -4.424794179e+00 -4.424794179e+00 2.46 -4.710025776e+00 -4.710025776e+00 2.48 -4.964072952e+00 -4.964072952e+00 2.50 -5.200528405e+00 -5.200528405e+00 2.52 -5.420282850e+00 -5.420282850e+00 2.54 -5.623625249e+00 -5.623625249e+00 2.56 -5.810195267e+00 -5.810195267e+00 2.58 -5.978669466e+00 -5.978669466e+00 2.60 -6.129603376e+00 -6.129603376e+00 2.62 -6.263513917e+00 -6.263513917e+00 2.64 -6.384503375e+00 -6.384503375e+00 2.66 -6.484970385e+00 -6.484970385e+00 2.68 -6.572317086e+00 -6.572317086e+00 2.70 -6.653328150e+00 -6.653328150e+00 2.72 -6.722877259e+00 -6.722877259e+00 2.74 -6.779294099e+00 -6.779294099e+00 2.76 -6.824273552e+00 -6.824273552e+00 2.78 -6.861204037e+00 -6.861204037e+00 2.80 -6.893856319e+00 -6.893856319e+00 2.82 -6.925478450e+00 -6.925478450e+00 2.84 -6.954754163e+00 -6.954754163e+00 2.86 -6.974756227e+00 -6.974756227e+00 2.88 -6.980224087e+00 -6.980224087e+00 2.90 -6.967972906e+00 -6.967972906e+00 2.92 -6.942300656e+00 -6.942300656e+00 2.94 -6.908610903e+00 -6.908610903e+00 2.96 -6.872728149e+00 -6.872728149e+00 2.98 -6.838287738e+00 -6.838287738e+00 3.00 -6.804306623e+00 -6.804306623e+00 3.02 -6.768565192e+00 -6.768565192e+00 3.04 -6.728533616e+00 -6.728533616e+00 3.06 -6.683975524e+00 -6.683975524e+00 3.08 -6.634998766e+00 -6.634998766e+00 3.10 -6.582869290e+00 -6.582869290e+00 3.12 -6.526450434e+00 -6.526450434e+00 3.14 -6.465813089e+00 -6.465813089e+00 3.16 -6.402847409e+00 -6.402847409e+00 3.18 -6.337579765e+00 -6.337579765e+00 3.20 -6.270066541e+00 -6.270066541e+00 3.22 -6.203006957e+00 -6.203006957e+00 3.24 -6.140703896e+00 -6.140703896e+00 3.26 -6.080284587e+00 -6.080284587e+00 3.28 -6.016114619e+00 -6.016114619e+00 3.30 -5.945554583e+00 -5.945554583e+00 3.32 -5.867531251e+00 -5.867531251e+00 3.34 -5.780863988e+00 -5.780863988e+00 3.36 -5.685045156e+00 -5.685045156e+00 3.38 -5.581474234e+00 -5.581474234e+00 3.40 -5.473354327e+00 -5.473354327e+00 3.42 -5.361437142e+00 -5.361437142e+00 3.44 -5.245465650e+00 -5.245465650e+00 3.46 -5.128373586e+00 -5.128373586e+00 3.48 -5.009255691e+00 -5.009255691e+00 3.50 -4.887114007e+00 -4.887114007e+00 3.52 -4.769907338e+00 -4.769907338e+00 3.54 -4.663274967e+00 -4.663274967e+00 3.56 -4.570112844e+00 -4.570112844e+00 3.58 -4.492020768e+00 -4.492020768e+00 3.60 -4.426504749e+00 -4.426504749e+00 3.62 -4.368562880e+00 -4.368562880e+00 3.64 -4.312767285e+00 -4.312767285e+00 3.66 -4.256474757e+00 -4.256474757e+00 3.68 -4.200067351e+00 -4.200067351e+00 3.70 -4.143691340e+00 -4.143691340e+00 3.72 -4.087461061e+00 -4.087461061e+00 3.74 -4.032245561e+00 -4.032245561e+00 3.76 -3.979676198e+00 -3.979676198e+00 3.78 -3.931758039e+00 -3.931758039e+00 3.80 -3.890100449e+00 -3.890100449e+00 3.82 -3.847690104e+00 -3.847690104e+00 3.84 -3.800934484e+00 -3.800934484e+00 3.86 -3.748773016e+00 -3.748773016e+00 3.88 -3.687922887e+00 -3.687922887e+00 3.90 -3.612010156e+00 -3.612010156e+00 3.92 -3.511437394e+00 -3.511437394e+00 3.94 -3.388579104e+00 -3.388579104e+00 3.96 -3.262277245e+00 -3.262277245e+00 3.98 -3.142018919e+00 -3.142018919e+00 4.00 -3.018771855e+00 -3.018771855e+00 4.02 -2.891992276e+00 -2.891992276e+00 4.04 -2.774594168e+00 -2.774594168e+00 4.06 -2.674954389e+00 -2.674954389e+00 4.08 -2.590338024e+00 -2.590338024e+00 4.10 -2.516428561e+00 -2.516428561e+00 4.12 -2.450625389e+00 -2.450625389e+00 4.14 -2.391374469e+00 -2.391374469e+00 4.16 -2.337612028e+00 -2.337612028e+00 4.18 -2.288692740e+00 -2.288692740e+00 4.20 -2.243986536e+00 -2.243986536e+00 4.22 -2.203972984e+00 -2.203972984e+00 4.24 -2.168741403e+00 -2.168741403e+00 4.26 -2.137681778e+00 -2.137681778e+00 4.28 -2.109790791e+00 -2.109790791e+00 4.30 -2.084123429e+00 -2.084123429e+00 4.32 -2.059865131e+00 -2.059865131e+00 4.34 -2.036378850e+00 -2.036378850e+00 4.36 -2.013854332e+00 -2.013854332e+00 4.38 -1.992815350e+00 -1.992815350e+00 4.40 -1.973853111e+00 -1.973853111e+00 4.42 -1.957614247e+00 -1.957614247e+00 4.44 -1.944781509e+00 -1.944781509e+00 4.46 -1.935554516e+00 -1.935554516e+00 4.48 -1.928920283e+00 -1.928920283e+00 4.50 -1.923845809e+00 -1.923845809e+00 4.52 -1.919267444e+00 -1.919267444e+00 4.54 -1.914088325e+00 -1.914088325e+00 4.56 -1.907191223e+00 -1.907191223e+00 4.58 -1.897860440e+00 -1.897860440e+00 4.60 -1.886042653e+00 -1.886042653e+00 4.62 -1.871619061e+00 -1.871619061e+00 4.64 -1.854381355e+00 -1.854381355e+00 4.66 -1.834109275e+00 -1.834109275e+00 4.68 -1.810575199e+00 -1.810575199e+00 4.70 -1.783439923e+00 -1.783439923e+00 4.72 -1.752232705e+00 -1.752232705e+00 4.74 -1.716633095e+00 -1.716633095e+00 4.76 -1.677260265e+00 -1.677260265e+00 4.78 -1.635127628e+00 -1.635127628e+00 4.80 -1.591373586e+00 -1.591373586e+00 4.82 -1.547045105e+00 -1.547045105e+00 4.84 -1.503130971e+00 -1.503130971e+00 4.86 -1.460663038e+00 -1.460663038e+00 4.88 -1.420031402e+00 -1.420031402e+00 4.90 -1.380202156e+00 -1.380202156e+00 4.92 -1.340140239e+00 -1.340140239e+00 4.94 -1.299990212e+00 -1.299990212e+00 4.96 -1.260317631e+00 -1.260317631e+00 4.98 -1.221638255e+00 -1.221638255e+00 5.00 -1.184422649e+00 -1.184422649e+00 5.02 -1.150172605e+00 -1.150172605e+00 5.04 -1.120700795e+00 -1.120700795e+00 5.06 -1.095817405e+00 -1.095817405e+00 5.08 -1.074714896e+00 -1.074714896e+00 5.10 -1.056710615e+00 -1.056710615e+00 5.12 -1.041354573e+00 -1.041354573e+00 5.14 -1.028087366e+00 -1.028087366e+00 5.16 -1.015393690e+00 -1.015393690e+00 5.18 -1.002256742e+00 -1.002256742e+00 5.20 -9.877565572e-01 -9.877565572e-01 5.22 -9.708789343e-01 -9.708789343e-01 5.24 -9.504832780e-01 -9.504832780e-01 5.26 -9.252817201e-01 -9.252817201e-01 5.28 -8.946240531e-01 -8.946240531e-01 5.30 -8.595577743e-01 -8.595577743e-01 5.32 -8.219068766e-01 -8.219068766e-01 5.34 -7.842055153e-01 -7.842055153e-01 5.36 -7.497413363e-01 -7.497413363e-01 5.38 -7.200690757e-01 -7.200690757e-01 5.40 -6.894244043e-01 -6.894244043e-01 5.42 -6.576743762e-01 -6.576743762e-01 5.44 -6.251411962e-01 -6.251411962e-01 5.46 -5.922644831e-01 -5.922644831e-01 5.48 -5.596269591e-01 -5.596269591e-01 5.50 -5.277642435e-01 -5.277642435e-01 5.52 -4.980173232e-01 -4.980173232e-01 5.54 -4.711385419e-01 -4.711385419e-01 5.56 -4.467918171e-01 -4.467918171e-01 5.58 -4.243816449e-01 -4.243816449e-01 5.60 -4.032570990e-01 -4.032570990e-01 5.62 -3.827333870e-01 -3.827333870e-01 5.64 -3.621010521e-01 -3.621010521e-01 5.66 -3.406321587e-01 -3.406321587e-01 5.68 -3.179080871e-01 -3.179080871e-01 5.70 -2.949636438e-01 -2.949636438e-01 5.72 -2.732518323e-01 -2.732518323e-01 5.74 -2.542527324e-01 -2.542527324e-01 5.76 -2.394686380e-01 -2.394686380e-01 5.78 -2.304127987e-01 -2.304127987e-01 5.80 -2.285791809e-01 -2.285791809e-01 5.82 -2.343738079e-01 -2.343738079e-01 5.84 -2.461287357e-01 -2.461287357e-01 5.86 -2.619406564e-01 -2.619406564e-01 5.88 -2.799287548e-01 -2.799287548e-01 5.90 -2.982394948e-01 -2.982394948e-01 5.92 -3.150489585e-01 -3.150489585e-01 5.94 -3.285867829e-01 -3.285867829e-01 5.96 -3.375933594e-01 -3.375933594e-01 5.98 -3.412619524e-01 -3.412619524e-01 6.00 -3.387942135e-01 -3.387942135e-01