# 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 = TaTi2W # 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 4.553718825e+02 4.553718825e+02 1.08 4.096370971e+02 4.096370971e+02 1.10 3.680806783e+02 3.680806783e+02 1.12 3.303226368e+02 3.303226368e+02 1.14 2.960699404e+02 2.960699404e+02 1.16 2.652666767e+02 2.652666767e+02 1.18 2.379958049e+02 2.379958049e+02 1.20 2.142434119e+02 2.142434119e+02 1.22 1.935550269e+02 1.935550269e+02 1.24 1.753335323e+02 1.753335323e+02 1.26 1.596820583e+02 1.596820583e+02 1.28 1.467446676e+02 1.467446676e+02 1.30 1.353893726e+02 1.353893726e+02 1.32 1.248074852e+02 1.248074852e+02 1.34 1.149296555e+02 1.149296555e+02 1.36 1.059260551e+02 1.059260551e+02 1.38 9.782823265e+01 9.782823265e+01 1.40 9.023843613e+01 9.023843613e+01 1.42 8.295907872e+01 8.295907872e+01 1.44 7.618523844e+01 7.618523844e+01 1.46 7.002022518e+01 7.002022518e+01 1.48 6.437353138e+01 6.437353138e+01 1.50 5.901069121e+01 5.901069121e+01 1.52 5.400273633e+01 5.400273633e+01 1.54 4.937722433e+01 4.937722433e+01 1.56 4.499480251e+01 4.499480251e+01 1.58 4.078851652e+01 4.078851652e+01 1.60 3.682133058e+01 3.682133058e+01 1.62 3.321823780e+01 3.321823780e+01 1.64 2.999190035e+01 2.999190035e+01 1.66 2.702071288e+01 2.702071288e+01 1.68 2.418047792e+01 2.418047792e+01 1.70 2.146974047e+01 2.146974047e+01 1.72 1.896972990e+01 1.896972990e+01 1.74 1.672528732e+01 1.672528732e+01 1.76 1.472400915e+01 1.472400915e+01 1.78 1.289911351e+01 1.289911351e+01 1.80 1.123126223e+01 1.123126223e+01 1.82 9.717417834e+00 9.717417834e+00 1.84 8.404207916e+00 8.404207916e+00 1.86 7.309721084e+00 7.309721084e+00 1.88 6.384436353e+00 6.384436353e+00 1.90 5.605068010e+00 5.605068010e+00 1.92 4.900236344e+00 4.900236344e+00 1.94 4.318355917e+00 4.318355917e+00 1.96 3.849370595e+00 3.849370595e+00 1.98 3.456151683e+00 3.456151683e+00 2.00 3.094449546e+00 3.094449546e+00 2.02 2.744980749e+00 2.744980749e+00 2.04 2.401802987e+00 2.401802987e+00 2.06 2.038972490e+00 2.038972490e+00 2.08 1.645591189e+00 1.645591189e+00 2.10 1.249594133e+00 1.249594133e+00 2.12 8.386638926e-01 8.386638926e-01 2.14 4.623430048e-01 4.623430048e-01 2.16 1.352616504e-01 1.352616504e-01 2.18 -1.776813195e-01 -1.776813195e-01 2.20 -5.081832330e-01 -5.081832330e-01 2.22 -8.348713152e-01 -8.348713152e-01 2.24 -1.128652013e+00 -1.128652013e+00 2.26 -1.368892445e+00 -1.368892445e+00 2.28 -1.551408522e+00 -1.551408522e+00 2.30 -2.041231257e+00 -2.041231257e+00 2.32 -2.491520689e+00 -2.491520689e+00 2.34 -2.904793826e+00 -2.904793826e+00 2.36 -3.314023422e+00 -3.314023422e+00 2.38 -3.709436078e+00 -3.709436078e+00 2.40 -4.064469456e+00 -4.064469456e+00 2.42 -4.371247669e+00 -4.371247669e+00 2.44 -4.648956560e+00 -4.648956560e+00 2.46 -4.925633750e+00 -4.925633750e+00 2.48 -5.181163539e+00 -5.181163539e+00 2.50 -5.421594794e+00 -5.421594794e+00 2.52 -5.636001562e+00 -5.636001562e+00 2.54 -5.814379962e+00 -5.814379962e+00 2.56 -5.948116012e+00 -5.948116012e+00 2.58 -6.060241907e+00 -6.060241907e+00 2.60 -6.161884363e+00 -6.161884363e+00 2.62 -6.260035962e+00 -6.260035962e+00 2.64 -6.357732276e+00 -6.357732276e+00 2.66 -6.442634111e+00 -6.442634111e+00 2.68 -6.509874030e+00 -6.509874030e+00 2.70 -6.561907560e+00 -6.561907560e+00 2.72 -6.591864878e+00 -6.591864878e+00 2.74 -6.606850933e+00 -6.606850933e+00 2.76 -6.617344713e+00 -6.617344713e+00 2.78 -6.627028378e+00 -6.627028378e+00 2.80 -6.632139303e+00 -6.632139303e+00 2.82 -6.637509749e+00 -6.637509749e+00 2.84 -6.636923953e+00 -6.636923953e+00 2.86 -6.618847217e+00 -6.618847217e+00 2.88 -6.590746727e+00 -6.590746727e+00 2.90 -6.554621669e+00 -6.554621669e+00 2.92 -6.510620097e+00 -6.510620097e+00 2.94 -6.456035601e+00 -6.456035601e+00 2.96 -6.390235297e+00 -6.390235297e+00 2.98 -6.321693532e+00 -6.321693532e+00 3.00 -6.246187026e+00 -6.246187026e+00 3.02 -6.170106411e+00 -6.170106411e+00 3.04 -6.102881474e+00 -6.102881474e+00 3.06 -6.039054359e+00 -6.039054359e+00 3.08 -5.973109684e+00 -5.973109684e+00 3.10 -5.898462439e+00 -5.898462439e+00 3.12 -5.811771083e+00 -5.811771083e+00 3.14 -5.720267019e+00 -5.720267019e+00 3.16 -5.628861899e+00 -5.628861899e+00 3.18 -5.544832816e+00 -5.544832816e+00 3.20 -5.472148857e+00 -5.472148857e+00 3.22 -5.412169777e+00 -5.412169777e+00 3.24 -5.364855548e+00 -5.364855548e+00 3.26 -5.322404504e+00 -5.322404504e+00 3.28 -5.280465040e+00 -5.280465040e+00 3.30 -5.225094266e+00 -5.225094266e+00 3.32 -5.165536657e+00 -5.165536657e+00 3.34 -5.104386054e+00 -5.104386054e+00 3.36 -5.041149062e+00 -5.041149062e+00 3.38 -4.970305443e+00 -4.970305443e+00 3.40 -4.890255077e+00 -4.890255077e+00 3.42 -4.795011673e+00 -4.795011673e+00 3.44 -4.695580656e+00 -4.695580656e+00 3.46 -4.587983737e+00 -4.587983737e+00 3.48 -4.478753752e+00 -4.478753752e+00 3.50 -4.339930900e+00 -4.339930900e+00 3.52 -4.165495286e+00 -4.165495286e+00 3.54 -3.986832967e+00 -3.986832967e+00 3.56 -3.839909804e+00 -3.839909804e+00 3.58 -3.716908008e+00 -3.716908008e+00 3.60 -3.603282449e+00 -3.603282449e+00 3.62 -3.496756812e+00 -3.496756812e+00 3.64 -3.394689936e+00 -3.394689936e+00 3.66 -3.294476597e+00 -3.294476597e+00 3.68 -3.196249154e+00 -3.196249154e+00 3.70 -3.101834503e+00 -3.101834503e+00 3.72 -3.014968205e+00 -3.014968205e+00 3.74 -2.939153202e+00 -2.939153202e+00 3.76 -2.875165010e+00 -2.875165010e+00 3.78 -2.822995833e+00 -2.822995833e+00 3.80 -2.782827657e+00 -2.782827657e+00 3.82 -2.746790792e+00 -2.746790792e+00 3.84 -2.710127527e+00 -2.710127527e+00 3.86 -2.671071015e+00 -2.671071015e+00 3.88 -2.629856617e+00 -2.629856617e+00 3.90 -2.588456943e+00 -2.588456943e+00 3.92 -2.548494696e+00 -2.548494696e+00 3.94 -2.511216248e+00 -2.511216248e+00 3.96 -2.476952765e+00 -2.476952765e+00 3.98 -2.445955562e+00 -2.445955562e+00 4.00 -2.418701958e+00 -2.418701958e+00 4.02 -2.394838982e+00 -2.394838982e+00 4.04 -2.373216179e+00 -2.373216179e+00 4.06 -2.350177945e+00 -2.350177945e+00 4.08 -2.322081306e+00 -2.322081306e+00 4.10 -2.287067221e+00 -2.287067221e+00 4.12 -2.247724165e+00 -2.247724165e+00 4.14 -2.208347815e+00 -2.208347815e+00 4.16 -2.172616950e+00 -2.172616950e+00 4.18 -2.142495908e+00 -2.142495908e+00 4.20 -2.118808228e+00 -2.118808228e+00 4.22 -2.101422066e+00 -2.101422066e+00 4.24 -2.089044042e+00 -2.089044042e+00 4.26 -2.079994142e+00 -2.079994142e+00 4.28 -2.072689869e+00 -2.072689869e+00 4.30 -2.065567586e+00 -2.065567586e+00 4.32 -2.057065503e+00 -2.057065503e+00 4.34 -2.045956122e+00 -2.045956122e+00 4.36 -2.032600790e+00 -2.032600790e+00 4.38 -2.017741688e+00 -2.017741688e+00 4.40 -2.002040766e+00 -2.002040766e+00 4.42 -1.986113852e+00 -1.986113852e+00 4.44 -1.970570923e+00 -1.970570923e+00 4.46 -1.955709855e+00 -1.955709855e+00 4.48 -1.941038409e+00 -1.941038409e+00 4.50 -1.926332437e+00 -1.926332437e+00 4.52 -1.911397619e+00 -1.911397619e+00 4.54 -1.895988801e+00 -1.895988801e+00 4.56 -1.879803095e+00 -1.879803095e+00 4.58 -1.862657359e+00 -1.862657359e+00 4.60 -1.844618101e+00 -1.844618101e+00 4.62 -1.825503637e+00 -1.825503637e+00 4.64 -1.804866985e+00 -1.804866985e+00 4.66 -1.782346736e+00 -1.782346736e+00 4.68 -1.757710496e+00 -1.757710496e+00 4.70 -1.731045991e+00 -1.731045991e+00 4.72 -1.702881238e+00 -1.702881238e+00 4.74 -1.673863431e+00 -1.673863431e+00 4.76 -1.644513265e+00 -1.644513265e+00 4.78 -1.615371564e+00 -1.615371564e+00 4.80 -1.586929820e+00 -1.586929820e+00 4.82 -1.558796896e+00 -1.558796896e+00 4.84 -1.529882032e+00 -1.529882032e+00 4.86 -1.499022731e+00 -1.499022731e+00 4.88 -1.465236939e+00 -1.465236939e+00 4.90 -1.427795402e+00 -1.427795402e+00 4.92 -1.386152794e+00 -1.386152794e+00 4.94 -1.341408301e+00 -1.341408301e+00 4.96 -1.295392193e+00 -1.295392193e+00 4.98 -1.249968591e+00 -1.249968591e+00 5.00 -1.207266320e+00 -1.207266320e+00 5.02 -1.169637254e+00 -1.169637254e+00 5.04 -1.138686246e+00 -1.138686246e+00 5.06 -1.113277059e+00 -1.113277059e+00 5.08 -1.091500478e+00 -1.091500478e+00 5.10 -1.071454615e+00 -1.071454615e+00 5.12 -1.051279426e+00 -1.051279426e+00 5.14 -1.029079602e+00 -1.029079602e+00 5.16 -1.003346186e+00 -1.003346186e+00 5.18 -9.743955582e-01 -9.743955582e-01 5.20 -9.427549633e-01 -9.427549633e-01 5.22 -9.087265133e-01 -9.087265133e-01 5.24 -8.722585166e-01 -8.722585166e-01 5.26 -8.327793389e-01 -8.327793389e-01 5.28 -7.896995241e-01 -7.896995241e-01 5.30 -7.432939180e-01 -7.432939180e-01 5.32 -6.960554273e-01 -6.960554273e-01 5.34 -6.533311305e-01 -6.533311305e-01 5.36 -6.199868348e-01 -6.199868348e-01 5.38 -5.954530398e-01 -5.954530398e-01 5.40 -5.696118656e-01 -5.696118656e-01 5.42 -5.415126825e-01 -5.415126825e-01 5.44 -5.117901527e-01 -5.117901527e-01 5.46 -4.812016114e-01 -4.812016114e-01 5.48 -4.505361408e-01 -4.505361408e-01 5.50 -4.206046543e-01 -4.206046543e-01 5.52 -3.922202950e-01 -3.922202950e-01 5.54 -3.661293032e-01 -3.661293032e-01 5.56 -3.421822469e-01 -3.421822469e-01 5.58 -3.195075608e-01 -3.195075608e-01 5.60 -2.971885485e-01 -2.971885485e-01 5.62 -2.743000681e-01 -2.743000681e-01 5.64 -2.499179314e-01 -2.499179314e-01 5.66 -2.230768408e-01 -2.230768408e-01 5.68 -1.931187890e-01 -1.931187890e-01 5.70 -1.614360305e-01 -1.614360305e-01 5.72 -1.302748747e-01 -1.302748747e-01 5.74 -1.018787264e-01 -1.018787264e-01 5.76 -7.841613824e-02 -7.841613824e-02 5.78 -6.194851054e-02 -6.194851054e-02 5.80 -5.443158940e-02 -5.443158940e-02 5.82 -5.661128355e-02 -5.661128355e-02 5.84 -6.643835259e-02 -6.643835259e-02 5.86 -8.143056481e-02 -8.143056481e-02 5.88 -9.918743800e-02 -9.918743800e-02 5.90 -1.174309715e-01 -1.174309715e-01 5.92 -1.340144435e-01 -1.340144435e-01 5.94 -1.468820533e-01 -1.468820533e-01 5.96 -1.548546011e-01 -1.548546011e-01 5.98 -1.578598746e-01 -1.578598746e-01 6.00 -1.557386480e-01 -1.557386480e-01