# 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 = Mo2WZr # 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 4.797790969e+02 4.797790969e+02 1.08 4.449079941e+02 4.449079941e+02 1.10 4.136779495e+02 4.136779495e+02 1.12 3.852622561e+02 3.852622561e+02 1.14 3.589171115e+02 3.589171115e+02 1.16 3.343303174e+02 3.343303174e+02 1.18 3.113854212e+02 3.113854212e+02 1.20 2.898125603e+02 2.898125603e+02 1.22 2.698984470e+02 2.698984470e+02 1.24 2.518754287e+02 2.518754287e+02 1.26 2.351610835e+02 2.351610835e+02 1.28 2.197017240e+02 2.197017240e+02 1.30 2.056059108e+02 2.056059108e+02 1.32 1.926889490e+02 1.926889490e+02 1.34 1.807299968e+02 1.807299968e+02 1.36 1.693599349e+02 1.693599349e+02 1.38 1.586200834e+02 1.586200834e+02 1.40 1.486793429e+02 1.486793429e+02 1.42 1.394657505e+02 1.394657505e+02 1.44 1.307273866e+02 1.307273866e+02 1.46 1.223106593e+02 1.223106593e+02 1.48 1.142658660e+02 1.142658660e+02 1.50 1.067161507e+02 1.067161507e+02 1.52 9.969916741e+01 9.969916741e+01 1.54 9.317013243e+01 9.317013243e+01 1.56 8.707001502e+01 8.707001502e+01 1.58 8.128366325e+01 8.128366325e+01 1.60 7.587597299e+01 7.587597299e+01 1.62 7.072631199e+01 7.072631199e+01 1.64 6.580326631e+01 6.580326631e+01 1.66 6.116794481e+01 6.116794481e+01 1.68 5.690994470e+01 5.690994470e+01 1.70 5.301968946e+01 5.301968946e+01 1.72 4.940615633e+01 4.940615633e+01 1.74 4.600427629e+01 4.600427629e+01 1.76 4.279097295e+01 4.279097295e+01 1.78 3.975971465e+01 3.975971465e+01 1.80 3.692415885e+01 3.692415885e+01 1.82 3.429429836e+01 3.429429836e+01 1.84 3.182300933e+01 3.182300933e+01 1.86 2.941841301e+01 2.941841301e+01 1.88 2.712948759e+01 2.712948759e+01 1.90 2.499257101e+01 2.499257101e+01 1.92 2.297619575e+01 2.297619575e+01 1.94 2.102606008e+01 2.102606008e+01 1.96 1.912072815e+01 1.912072815e+01 1.98 1.728814205e+01 1.728814205e+01 2.00 1.553005797e+01 1.553005797e+01 2.02 1.385658616e+01 1.385658616e+01 2.04 1.233471323e+01 1.233471323e+01 2.06 1.098553032e+01 1.098553032e+01 2.08 9.765996806e+00 9.765996806e+00 2.10 8.677942666e+00 8.677942666e+00 2.12 7.705839120e+00 7.705839120e+00 2.14 6.809727617e+00 6.809727617e+00 2.16 5.963442997e+00 5.963442997e+00 2.18 5.153573463e+00 5.153573463e+00 2.20 4.369864614e+00 4.369864614e+00 2.22 3.569980933e+00 3.569980933e+00 2.24 2.764728034e+00 2.764728034e+00 2.26 2.079537987e+00 2.079537987e+00 2.28 1.393347202e+00 1.393347202e+00 2.30 4.340807504e-01 4.340807504e-01 2.32 -3.650073283e-01 -3.650073283e-01 2.34 -1.077175003e+00 -1.077175003e+00 2.36 -1.856766218e+00 -1.856766218e+00 2.38 -2.545522194e+00 -2.545522194e+00 2.40 -3.137939361e+00 -3.137939361e+00 2.42 -3.667825752e+00 -3.667825752e+00 2.44 -4.142333931e+00 -4.142333931e+00 2.46 -4.551375684e+00 -4.551375684e+00 2.48 -4.899906423e+00 -4.899906423e+00 2.50 -5.214759611e+00 -5.214759611e+00 2.52 -5.501969380e+00 -5.501969380e+00 2.54 -5.765033772e+00 -5.765033772e+00 2.56 -6.019970801e+00 -6.019970801e+00 2.58 -6.257188129e+00 -6.257188129e+00 2.60 -6.469556146e+00 -6.469556146e+00 2.62 -6.655777788e+00 -6.655777788e+00 2.64 -6.806979060e+00 -6.806979060e+00 2.66 -6.925725464e+00 -6.925725464e+00 2.68 -7.017455243e+00 -7.017455243e+00 2.70 -7.089348599e+00 -7.089348599e+00 2.72 -7.145912278e+00 -7.145912278e+00 2.74 -7.189970302e+00 -7.189970302e+00 2.76 -7.220910242e+00 -7.220910242e+00 2.78 -7.238398065e+00 -7.238398065e+00 2.80 -7.241327554e+00 -7.241327554e+00 2.82 -7.228664687e+00 -7.228664687e+00 2.84 -7.203540165e+00 -7.203540165e+00 2.86 -7.173796776e+00 -7.173796776e+00 2.88 -7.141138385e+00 -7.141138385e+00 2.90 -7.103733452e+00 -7.103733452e+00 2.92 -7.054924978e+00 -7.054924978e+00 2.94 -6.987752783e+00 -6.987752783e+00 2.96 -6.892746406e+00 -6.892746406e+00 2.98 -6.781874976e+00 -6.781874976e+00 3.00 -6.662736227e+00 -6.662736227e+00 3.02 -6.542588436e+00 -6.542588436e+00 3.04 -6.431849425e+00 -6.431849425e+00 3.06 -6.330133436e+00 -6.330133436e+00 3.08 -6.235168319e+00 -6.235168319e+00 3.10 -6.143227775e+00 -6.143227775e+00 3.12 -6.034241943e+00 -6.034241943e+00 3.14 -5.913148986e+00 -5.913148986e+00 3.16 -5.796026698e+00 -5.796026698e+00 3.18 -5.694322297e+00 -5.694322297e+00 3.20 -5.614875497e+00 -5.614875497e+00 3.22 -5.566125098e+00 -5.566125098e+00 3.24 -5.532620936e+00 -5.532620936e+00 3.26 -5.498040553e+00 -5.498040553e+00 3.28 -5.450392338e+00 -5.450392338e+00 3.30 -5.390064179e+00 -5.390064179e+00 3.32 -5.325580084e+00 -5.325580084e+00 3.34 -5.245128982e+00 -5.245128982e+00 3.36 -5.118471225e+00 -5.118471225e+00 3.38 -4.992138674e+00 -4.992138674e+00 3.40 -4.874178496e+00 -4.874178496e+00 3.42 -4.729849830e+00 -4.729849830e+00 3.44 -4.566700049e+00 -4.566700049e+00 3.46 -4.417938026e+00 -4.417938026e+00 3.48 -4.286592674e+00 -4.286592674e+00 3.50 -4.164790695e+00 -4.164790695e+00 3.52 -4.058401000e+00 -4.058401000e+00 3.54 -3.978871317e+00 -3.978871317e+00 3.56 -3.929204665e+00 -3.929204665e+00 3.58 -3.897531668e+00 -3.897531668e+00 3.60 -3.871270187e+00 -3.871270187e+00 3.62 -3.842553310e+00 -3.842553310e+00 3.64 -3.808173490e+00 -3.808173490e+00 3.66 -3.766932096e+00 -3.766932096e+00 3.68 -3.718352597e+00 -3.718352597e+00 3.70 -3.659851552e+00 -3.659851552e+00 3.72 -3.588608658e+00 -3.588608658e+00 3.74 -3.503423266e+00 -3.503423266e+00 3.76 -3.403391975e+00 -3.403391975e+00 3.78 -3.286081152e+00 -3.286081152e+00 3.80 -3.156279136e+00 -3.156279136e+00 3.82 -3.007960419e+00 -3.007960419e+00 3.84 -2.846324992e+00 -2.846324992e+00 3.86 -2.674890897e+00 -2.674890897e+00 3.88 -2.495795954e+00 -2.495795954e+00 3.90 -2.319290543e+00 -2.319290543e+00 3.92 -2.155869182e+00 -2.155869182e+00 3.94 -2.011772909e+00 -2.011772909e+00 3.96 -1.887224518e+00 -1.887224518e+00 3.98 -1.782351952e+00 -1.782351952e+00 4.00 -1.696045588e+00 -1.696045588e+00 4.02 -1.625298631e+00 -1.625298631e+00 4.04 -1.566409397e+00 -1.566409397e+00 4.06 -1.516281767e+00 -1.516281767e+00 4.08 -1.473171165e+00 -1.473171165e+00 4.10 -1.436666962e+00 -1.436666962e+00 4.12 -1.406388583e+00 -1.406388583e+00 4.14 -1.381862431e+00 -1.381862431e+00 4.16 -1.362725654e+00 -1.362725654e+00 4.18 -1.348685203e+00 -1.348685203e+00 4.20 -1.339464491e+00 -1.339464491e+00 4.22 -1.334841772e+00 -1.334841772e+00 4.24 -1.334478362e+00 -1.334478362e+00 4.26 -1.337980351e+00 -1.337980351e+00 4.28 -1.344887346e+00 -1.344887346e+00 4.30 -1.354690197e+00 -1.354690197e+00 4.32 -1.366858092e+00 -1.366858092e+00 4.34 -1.380833248e+00 -1.380833248e+00 4.36 -1.395780704e+00 -1.395780704e+00 4.38 -1.410632256e+00 -1.410632256e+00 4.40 -1.424309157e+00 -1.424309157e+00 4.42 -1.435722150e+00 -1.435722150e+00 4.44 -1.443769940e+00 -1.443769940e+00 4.46 -1.447488546e+00 -1.447488546e+00 4.48 -1.446929407e+00 -1.446929407e+00 4.50 -1.443185193e+00 -1.443185193e+00 4.52 -1.437475882e+00 -1.437475882e+00 4.54 -1.431034855e+00 -1.431034855e+00 4.56 -1.425111430e+00 -1.425111430e+00 4.58 -1.420476095e+00 -1.420476095e+00 4.60 -1.416981092e+00 -1.416981092e+00 4.62 -1.414027412e+00 -1.414027412e+00 4.64 -1.410537125e+00 -1.410537125e+00 4.66 -1.405423255e+00 -1.405423255e+00 4.68 -1.397596300e+00 -1.397596300e+00 4.70 -1.386448376e+00 -1.386448376e+00 4.72 -1.371957154e+00 -1.371957154e+00 4.74 -1.354253315e+00 -1.354253315e+00 4.76 -1.334195526e+00 -1.334195526e+00 4.78 -1.313072569e+00 -1.313072569e+00 4.80 -1.292226776e+00 -1.292226776e+00 4.82 -1.273139056e+00 -1.273139056e+00 4.84 -1.257376184e+00 -1.257376184e+00 4.86 -1.246491307e+00 -1.246491307e+00 4.88 -1.241494891e+00 -1.241494891e+00 4.90 -1.241948672e+00 -1.241948672e+00 4.92 -1.246977655e+00 -1.246977655e+00 4.94 -1.254754675e+00 -1.254754675e+00 4.96 -1.263059847e+00 -1.263059847e+00 4.98 -1.269695344e+00 -1.269695344e+00 5.00 -1.272512376e+00 -1.272512376e+00 5.02 -1.270112364e+00 -1.270112364e+00 5.04 -1.262156498e+00 -1.262156498e+00 5.06 -1.249164045e+00 -1.249164045e+00 5.08 -1.231872598e+00 -1.231872598e+00 5.10 -1.211053983e+00 -1.211053983e+00 5.12 -1.187494419e+00 -1.187494419e+00 5.14 -1.161974849e+00 -1.161974849e+00 5.16 -1.135030978e+00 -1.135030978e+00 5.18 -1.106694541e+00 -1.106694541e+00 5.20 -1.076945947e+00 -1.076945947e+00 5.22 -1.045760730e+00 -1.045760730e+00 5.24 -1.013120075e+00 -1.013120075e+00 5.26 -9.790779375e-01 -9.790779375e-01 5.28 -9.449522885e-01 -9.449522885e-01 5.30 -9.127366886e-01 -9.127366886e-01 5.32 -8.842463102e-01 -8.842463102e-01 5.34 -8.612540201e-01 -8.612540201e-01 5.36 -8.454947481e-01 -8.454947481e-01 5.38 -8.360900021e-01 -8.360900021e-01 5.40 -8.240153882e-01 -8.240153882e-01 5.42 -8.081013612e-01 -8.081013612e-01 5.44 -7.891043648e-01 -7.891043648e-01 5.46 -7.679117612e-01 -7.679117612e-01 5.48 -7.454192003e-01 -7.454192003e-01 5.50 -7.225374369e-01 -7.225374369e-01 5.52 -7.001856138e-01 -7.001856138e-01 5.54 -6.792804581e-01 -6.792804581e-01 5.56 -6.603146281e-01 -6.603146281e-01 5.58 -6.431339340e-01 -6.431339340e-01 5.60 -6.274602081e-01 -6.274602081e-01 5.62 -6.130849750e-01 -6.130849750e-01 5.64 -5.998931089e-01 -5.998931089e-01 5.66 -5.877592680e-01 -5.877592680e-01 5.68 -5.764058401e-01 -5.764058401e-01 5.70 -5.657342018e-01 -5.657342018e-01 5.72 -5.561427385e-01 -5.561427385e-01 5.74 -5.478265069e-01 -5.478265069e-01 5.76 -5.406945979e-01 -5.406945979e-01 5.78 -5.345833720e-01 -5.345833720e-01 5.80 -5.293527863e-01 -5.293527863e-01 5.82 -5.249288469e-01 -5.249288469e-01 5.84 -5.207685064e-01 -5.207685064e-01 5.86 -5.161569142e-01 -5.161569142e-01 5.88 -5.104005683e-01 -5.104005683e-01 5.90 -5.028173443e-01 -5.028173443e-01 5.92 -4.927065226e-01 -4.927065226e-01 5.94 -4.793047577e-01 -4.793047577e-01 5.96 -4.621160324e-01 -4.621160324e-01 5.98 -4.414032562e-01 -4.414032562e-01 6.00 -4.175249643e-01 -4.175249643e-01