# 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 = NbW2Zr # 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 2.561860780e+02 2.561860780e+02 1.08 2.402016900e+02 2.402016900e+02 1.10 2.250259622e+02 2.250259622e+02 1.12 2.115652667e+02 2.115652667e+02 1.14 1.986208157e+02 1.986208157e+02 1.16 1.870172676e+02 1.870172676e+02 1.18 1.762858967e+02 1.762858967e+02 1.20 1.655504795e+02 1.655504795e+02 1.22 1.559161364e+02 1.559161364e+02 1.24 1.474856069e+02 1.474856069e+02 1.26 1.396074256e+02 1.396074256e+02 1.28 1.326921102e+02 1.326921102e+02 1.30 1.264037637e+02 1.264037637e+02 1.32 1.201340448e+02 1.201340448e+02 1.34 1.141465652e+02 1.141465652e+02 1.36 1.085772729e+02 1.085772729e+02 1.38 1.038148212e+02 1.038148212e+02 1.40 9.916739087e+01 9.916739087e+01 1.42 9.440400905e+01 9.440400905e+01 1.44 8.979442908e+01 8.979442908e+01 1.46 8.525760559e+01 8.525760559e+01 1.48 8.114506062e+01 8.114506062e+01 1.50 7.728083959e+01 7.728083959e+01 1.52 7.324797827e+01 7.324797827e+01 1.54 6.934589016e+01 6.934589016e+01 1.56 6.554909003e+01 6.554909003e+01 1.58 6.182063570e+01 6.182063570e+01 1.60 5.824685123e+01 5.824685123e+01 1.62 5.487613090e+01 5.487613090e+01 1.64 5.157421188e+01 5.157421188e+01 1.66 4.832892945e+01 4.832892945e+01 1.68 4.520759589e+01 4.520759589e+01 1.70 4.225506979e+01 4.225506979e+01 1.72 3.950396859e+01 3.950396859e+01 1.74 3.691580247e+01 3.691580247e+01 1.76 3.450035109e+01 3.450035109e+01 1.78 3.235056073e+01 3.235056073e+01 1.80 3.041356416e+01 3.041356416e+01 1.82 2.841379119e+01 2.841379119e+01 1.84 2.646192386e+01 2.646192386e+01 1.86 2.468837905e+01 2.468837905e+01 1.88 2.301687203e+01 2.301687203e+01 1.90 2.136243220e+01 2.136243220e+01 1.92 1.970839817e+01 1.970839817e+01 1.94 1.811323542e+01 1.811323542e+01 1.96 1.661172991e+01 1.661172991e+01 1.98 1.522878571e+01 1.522878571e+01 2.00 1.400052370e+01 1.400052370e+01 2.02 1.296296705e+01 1.296296705e+01 2.04 1.210253945e+01 1.210253945e+01 2.06 1.123479081e+01 1.123479081e+01 2.08 1.022724986e+01 1.022724986e+01 2.10 9.244564324e+00 9.244564324e+00 2.12 8.323741161e+00 8.323741161e+00 2.14 7.380310303e+00 7.380310303e+00 2.16 6.440365067e+00 6.440365067e+00 2.18 5.517677045e+00 5.517677045e+00 2.20 4.631480466e+00 4.631480466e+00 2.22 3.792566564e+00 3.792566564e+00 2.24 3.007113629e+00 3.007113629e+00 2.26 2.256143937e+00 2.256143937e+00 2.28 1.531850094e+00 1.531850094e+00 2.30 8.429265595e-01 8.429265595e-01 2.32 9.006388459e-02 9.006388459e-02 2.34 -7.990543032e-01 -7.990543032e-01 2.36 -1.821014009e+00 -1.821014009e+00 2.38 -2.701585333e+00 -2.701585333e+00 2.40 -3.424675975e+00 -3.424675975e+00 2.42 -3.949694683e+00 -3.949694683e+00 2.44 -4.307572613e+00 -4.307572613e+00 2.46 -4.627801254e+00 -4.627801254e+00 2.48 -5.002126138e+00 -5.002126138e+00 2.50 -5.372038790e+00 -5.372038790e+00 2.52 -5.727644778e+00 -5.727644778e+00 2.54 -6.036367646e+00 -6.036367646e+00 2.56 -6.336904437e+00 -6.336904437e+00 2.58 -6.609847461e+00 -6.609847461e+00 2.60 -6.848586838e+00 -6.848586838e+00 2.62 -7.056153701e+00 -7.056153701e+00 2.64 -7.235974147e+00 -7.235974147e+00 2.66 -7.383862004e+00 -7.383862004e+00 2.68 -7.504078282e+00 -7.504078282e+00 2.70 -7.595693605e+00 -7.595693605e+00 2.72 -7.663312665e+00 -7.663312665e+00 2.74 -7.714913153e+00 -7.714913153e+00 2.76 -7.760498440e+00 -7.760498440e+00 2.78 -7.803208996e+00 -7.803208996e+00 2.80 -7.840239235e+00 -7.840239235e+00 2.82 -7.867381382e+00 -7.867381382e+00 2.84 -7.880787978e+00 -7.880787978e+00 2.86 -7.882476192e+00 -7.882476192e+00 2.88 -7.869544888e+00 -7.869544888e+00 2.90 -7.837093391e+00 -7.837093391e+00 2.92 -7.792492632e+00 -7.792492632e+00 2.94 -7.747955642e+00 -7.747955642e+00 2.96 -7.710823039e+00 -7.710823039e+00 2.98 -7.675327067e+00 -7.675327067e+00 3.00 -7.637794783e+00 -7.637794783e+00 3.02 -7.607894539e+00 -7.607894539e+00 3.04 -7.589419624e+00 -7.589419624e+00 3.06 -7.574633181e+00 -7.574633181e+00 3.08 -7.554623808e+00 -7.554623808e+00 3.10 -7.521309230e+00 -7.521309230e+00 3.12 -7.462766355e+00 -7.462766355e+00 3.14 -7.375271917e+00 -7.375271917e+00 3.16 -7.258700784e+00 -7.258700784e+00 3.18 -7.110922319e+00 -7.110922319e+00 3.20 -6.956331083e+00 -6.956331083e+00 3.22 -6.824594585e+00 -6.824594585e+00 3.24 -6.744164230e+00 -6.744164230e+00 3.26 -6.697727115e+00 -6.697727115e+00 3.28 -6.643060489e+00 -6.643060489e+00 3.30 -6.563085747e+00 -6.563085747e+00 3.32 -6.477260570e+00 -6.477260570e+00 3.34 -6.384013480e+00 -6.384013480e+00 3.36 -6.294308823e+00 -6.294308823e+00 3.38 -6.212605992e+00 -6.212605992e+00 3.40 -6.150157736e+00 -6.150157736e+00 3.42 -6.088006452e+00 -6.088006452e+00 3.44 -5.999241063e+00 -5.999241063e+00 3.46 -5.880811030e+00 -5.880811030e+00 3.48 -5.758753699e+00 -5.758753699e+00 3.50 -5.637880048e+00 -5.637880048e+00 3.52 -5.525534973e+00 -5.525534973e+00 3.54 -5.430731418e+00 -5.430731418e+00 3.56 -5.364300797e+00 -5.364300797e+00 3.58 -5.325703235e+00 -5.325703235e+00 3.60 -5.302170691e+00 -5.302170691e+00 3.62 -5.280203446e+00 -5.280203446e+00 3.64 -5.246540848e+00 -5.246540848e+00 3.66 -5.197705891e+00 -5.197705891e+00 3.68 -5.141907335e+00 -5.141907335e+00 3.70 -5.086333072e+00 -5.086333072e+00 3.72 -5.038197573e+00 -5.038197573e+00 3.74 -4.999308153e+00 -4.999308153e+00 3.76 -4.960844478e+00 -4.960844478e+00 3.78 -4.906587202e+00 -4.906587202e+00 3.80 -4.805784646e+00 -4.805784646e+00 3.82 -4.664861915e+00 -4.664861915e+00 3.84 -4.522259289e+00 -4.522259289e+00 3.86 -4.324233437e+00 -4.324233437e+00 3.88 -4.039158584e+00 -4.039158584e+00 3.90 -3.735903547e+00 -3.735903547e+00 3.92 -3.446008050e+00 -3.446008050e+00 3.94 -3.229582490e+00 -3.229582490e+00 3.96 -3.079879144e+00 -3.079879144e+00 3.98 -2.946490819e+00 -2.946490819e+00 4.00 -2.823534229e+00 -2.823534229e+00 4.02 -2.717763201e+00 -2.717763201e+00 4.04 -2.630459542e+00 -2.630459542e+00 4.06 -2.556233817e+00 -2.556233817e+00 4.08 -2.488196717e+00 -2.488196717e+00 4.10 -2.421850418e+00 -2.421850418e+00 4.12 -2.359123413e+00 -2.359123413e+00 4.14 -2.304545214e+00 -2.304545214e+00 4.16 -2.260050181e+00 -2.260050181e+00 4.18 -2.225728232e+00 -2.225728232e+00 4.20 -2.200604203e+00 -2.200604203e+00 4.22 -2.183455929e+00 -2.183455929e+00 4.24 -2.172707964e+00 -2.172707964e+00 4.26 -2.167760546e+00 -2.167760546e+00 4.28 -2.168443549e+00 -2.168443549e+00 4.30 -2.174311884e+00 -2.174311884e+00 4.32 -2.184475268e+00 -2.184475268e+00 4.34 -2.197688562e+00 -2.197688562e+00 4.36 -2.212398585e+00 -2.212398585e+00 4.38 -2.227400653e+00 -2.227400653e+00 4.40 -2.241868109e+00 -2.241868109e+00 4.42 -2.254560104e+00 -2.254560104e+00 4.44 -2.263754685e+00 -2.263754685e+00 4.46 -2.268039539e+00 -2.268039539e+00 4.48 -2.267730159e+00 -2.267730159e+00 4.50 -2.264446504e+00 -2.264446504e+00 4.52 -2.260048694e+00 -2.260048694e+00 4.54 -2.256472095e+00 -2.256472095e+00 4.56 -2.255720054e+00 -2.255720054e+00 4.58 -2.259076381e+00 -2.259076381e+00 4.60 -2.266291180e+00 -2.266291180e+00 4.62 -2.275811579e+00 -2.275811579e+00 4.64 -2.284852396e+00 -2.284852396e+00 4.66 -2.290295561e+00 -2.290295561e+00 4.68 -2.288991384e+00 -2.288991384e+00 4.70 -2.279030079e+00 -2.279030079e+00 4.72 -2.260232792e+00 -2.260232792e+00 4.74 -2.233259358e+00 -2.233259358e+00 4.76 -2.200437733e+00 -2.200437733e+00 4.78 -2.164658441e+00 -2.164658441e+00 4.80 -2.128735096e+00 -2.128735096e+00 4.82 -2.094105606e+00 -2.094105606e+00 4.84 -2.061042465e+00 -2.061042465e+00 4.86 -2.029677470e+00 -2.029677470e+00 4.88 -1.999385903e+00 -1.999385903e+00 4.90 -1.967739136e+00 -1.967739136e+00 4.92 -1.932260030e+00 -1.932260030e+00 4.94 -1.893865163e+00 -1.893865163e+00 4.96 -1.855355659e+00 -1.855355659e+00 4.98 -1.819593041e+00 -1.819593041e+00 5.00 -1.789170783e+00 -1.789170783e+00 5.02 -1.768174881e+00 -1.768174881e+00 5.04 -1.760278246e+00 -1.760278246e+00 5.06 -1.761740124e+00 -1.761740124e+00 5.08 -1.766387395e+00 -1.766387395e+00 5.10 -1.768372173e+00 -1.768372173e+00 5.12 -1.762290501e+00 -1.762290501e+00 5.14 -1.742839516e+00 -1.742839516e+00 5.16 -1.706984596e+00 -1.706984596e+00 5.18 -1.657296748e+00 -1.657296748e+00 5.20 -1.596844000e+00 -1.596844000e+00 5.22 -1.529985452e+00 -1.529985452e+00 5.24 -1.465164584e+00 -1.465164584e+00 5.26 -1.410484990e+00 -1.410484990e+00 5.28 -1.368880729e+00 -1.368880729e+00 5.30 -1.337701196e+00 -1.337701196e+00 5.32 -1.314194303e+00 -1.314194303e+00 5.34 -1.296139240e+00 -1.296139240e+00 5.36 -1.281453910e+00 -1.281453910e+00 5.38 -1.267826275e+00 -1.267826275e+00 5.40 -1.252829202e+00 -1.252829202e+00 5.42 -1.236324252e+00 -1.236324252e+00 5.44 -1.218842527e+00 -1.218842527e+00 5.46 -1.200679906e+00 -1.200679906e+00 5.48 -1.181656085e+00 -1.181656085e+00 5.50 -1.161586442e+00 -1.161586442e+00 5.52 -1.140504434e+00 -1.140504434e+00 5.54 -1.118757771e+00 -1.118757771e+00 5.56 -1.096415723e+00 -1.096415723e+00 5.58 -1.073003375e+00 -1.073003375e+00 5.60 -1.047706394e+00 -1.047706394e+00 5.62 -1.019290391e+00 -1.019290391e+00 5.64 -9.859659814e-01 -9.859659814e-01 5.66 -9.451350686e-01 -9.451350686e-01 5.68 -8.936438581e-01 -8.936438581e-01 5.70 -8.311755148e-01 -8.311755148e-01 5.72 -7.604448264e-01 -7.604448264e-01 5.74 -6.874118749e-01 -6.874118749e-01 5.76 -6.235766001e-01 -6.235766001e-01 5.78 -5.791152081e-01 -5.791152081e-01 5.80 -5.640274307e-01 -5.640274307e-01 5.82 -5.806492933e-01 -5.806492933e-01 5.84 -6.187570867e-01 -6.187570867e-01 5.86 -6.640061094e-01 -6.640061094e-01 5.88 -7.048679214e-01 -7.048679214e-01 5.90 -7.347751187e-01 -7.347751187e-01 5.92 -7.495629823e-01 -7.495629823e-01 5.94 -7.454230350e-01 -7.454230350e-01 5.96 -7.209829952e-01 -7.209829952e-01 5.98 -6.772283323e-01 -6.772283323e-01 6.00 -6.144154059e-01 -6.144154059e-01