# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2WZr # 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 2024-04-11 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.819268334e+02 3.819268334e+02 1.30 3.541063758e+02 3.541063758e+02 1.32 3.283586111e+02 3.283586111e+02 1.34 3.045175650e+02 3.045175650e+02 1.36 2.824306515e+02 2.824306515e+02 1.38 2.619579061e+02 2.619579061e+02 1.40 2.429713869e+02 2.429713869e+02 1.42 2.253541604e+02 2.253541604e+02 1.44 2.089991871e+02 2.089991871e+02 1.46 1.938085209e+02 1.938085209e+02 1.48 1.796929268e+02 1.796929268e+02 1.50 1.665715713e+02 1.665715713e+02 1.52 1.543714315e+02 1.543714315e+02 1.54 1.430262892e+02 1.430262892e+02 1.56 1.324756924e+02 1.324756924e+02 1.58 1.226641246e+02 1.226641246e+02 1.60 1.135403106e+02 1.135403106e+02 1.62 1.050565105e+02 1.050565105e+02 1.64 9.716791244e+01 9.716791244e+01 1.66 8.983224449e+01 8.983224449e+01 1.68 8.300968042e+01 8.300968042e+01 1.70 7.666300620e+01 7.666300620e+01 1.72 7.075774551e+01 7.075774551e+01 1.74 6.526212594e+01 6.526212594e+01 1.76 6.014686096e+01 6.014686096e+01 1.78 5.538489368e+01 5.538489368e+01 1.80 5.095117372e+01 5.095117372e+01 1.82 4.682251400e+01 4.682251400e+01 1.84 4.297756574e+01 4.297756574e+01 1.86 3.939760697e+01 3.939760697e+01 1.88 3.606481974e+01 3.606481974e+01 1.90 3.296269095e+01 3.296269095e+01 1.92 3.007668006e+01 3.007668006e+01 1.94 2.739479630e+01 2.739479630e+01 1.96 2.490389321e+01 2.490389321e+01 1.98 2.259139117e+01 2.259139117e+01 2.00 2.044539704e+01 2.044539704e+01 2.02 1.845464911e+01 1.845464911e+01 2.04 1.660846547e+01 1.660846547e+01 2.06 1.489668488e+01 1.489668488e+01 2.08 1.330960614e+01 1.330960614e+01 2.10 1.183796849e+01 1.183796849e+01 2.12 1.047297311e+01 1.047297311e+01 2.14 9.206350994e+00 9.206350994e+00 2.16 8.030454083e+00 8.030454083e+00 2.18 6.938319647e+00 6.938319647e+00 2.20 5.923695195e+00 5.923695195e+00 2.22 4.980999976e+00 4.980999976e+00 2.24 4.105257677e+00 4.105257677e+00 2.26 3.292018721e+00 3.292018721e+00 2.28 2.537272616e+00 2.537272616e+00 2.30 1.837398287e+00 1.837398287e+00 2.32 1.189077283e+00 1.189077283e+00 2.34 5.892499280e-01 5.892499280e-01 2.36 3.504952259e-02 3.504952259e-02 2.38 -4.762409120e-01 -4.762409120e-01 2.40 -9.472229300e-01 -9.472229300e-01 2.42 -1.380408692e+00 -1.380408692e+00 2.44 -1.778227288e+00 -1.778227288e+00 2.46 -2.143025862e+00 -2.143025862e+00 2.48 -2.477044648e+00 -2.477044648e+00 2.50 -2.782341013e+00 -2.782341013e+00 2.52 -3.060964233e+00 -3.060964233e+00 2.54 -3.314834277e+00 -3.314834277e+00 2.56 -3.545707698e+00 -3.545707698e+00 2.58 -3.755187503e+00 -3.755187503e+00 2.60 -3.944779583e+00 -3.944779583e+00 2.62 -4.115845549e+00 -4.115845549e+00 2.64 -4.269531440e+00 -4.269531440e+00 2.66 -4.406815084e+00 -4.406815084e+00 2.68 -4.528436386e+00 -4.528436386e+00 2.70 -4.635101763e+00 -4.635101763e+00 2.72 -4.727514589e+00 -4.727514589e+00 2.74 -4.806351304e+00 -4.806351304e+00 2.76 -4.872100111e+00 -4.872100111e+00 2.78 -4.925191599e+00 -4.925191599e+00 2.80 -4.966099840e+00 -4.966099840e+00 2.82 -4.995320716e+00 -4.995320716e+00 2.84 -5.013370669e+00 -5.013370669e+00 2.86 -5.020779852e+00 -5.020779852e+00 2.88 -5.018091702e+00 -5.018091702e+00 2.90 -5.005866193e+00 -5.005866193e+00 2.92 -4.984685405e+00 -4.984685405e+00 2.94 -4.955159571e+00 -4.955159571e+00 2.96 -4.917931524e+00 -4.917931524e+00 2.98 -4.873677594e+00 -4.873677594e+00 3.00 -4.823103478e+00 -4.823103478e+00 3.02 -4.766934482e+00 -4.766934482e+00 3.04 -4.705897351e+00 -4.705897351e+00 3.06 -4.640715424e+00 -4.640715424e+00 3.08 -4.572067012e+00 -4.572067012e+00 3.10 -4.500582800e+00 -4.500582800e+00 3.12 -4.426825577e+00 -4.426825577e+00 3.14 -4.351288411e+00 -4.351288411e+00 3.16 -4.274380176e+00 -4.274380176e+00 3.18 -4.196435881e+00 -4.196435881e+00 3.20 -4.117720992e+00 -4.117720992e+00 3.22 -4.038600633e+00 -4.038600633e+00 3.24 -3.959237202e+00 -3.959237202e+00 3.26 -3.879526246e+00 -3.879526246e+00 3.28 -3.799374068e+00 -3.799374068e+00 3.30 -3.718706948e+00 -3.718706948e+00 3.32 -3.637478953e+00 -3.637478953e+00 3.34 -3.555677579e+00 -3.555677579e+00 3.36 -3.473328849e+00 -3.473328849e+00 3.38 -3.390516471e+00 -3.390516471e+00 3.40 -3.307369462e+00 -3.307369462e+00 3.42 -3.224051008e+00 -3.224051008e+00 3.44 -3.140748212e+00 -3.140748212e+00 3.46 -3.057673641e+00 -3.057673641e+00 3.48 -2.975058133e+00 -2.975058133e+00 3.50 -2.893143161e+00 -2.893143161e+00 3.52 -2.812171680e+00 -2.812171680e+00 3.54 -2.732378219e+00 -2.732378219e+00 3.56 -2.653979224e+00 -2.653979224e+00 3.58 -2.577164642e+00 -2.577164642e+00 3.60 -2.502091520e+00 -2.502091520e+00 3.62 -2.428880105e+00 -2.428880105e+00 3.64 -2.357612556e+00 -2.357612556e+00 3.66 -2.288334109e+00 -2.288334109e+00 3.68 -2.221056311e+00 -2.221056311e+00 3.70 -2.155761820e+00 -2.155761820e+00 3.72 -2.092410256e+00 -2.092410256e+00 3.74 -2.030944593e+00 -2.030944593e+00 3.76 -1.971297618e+00 -1.971297618e+00 3.78 -1.913398038e+00 -1.913398038e+00 3.80 -1.857175816e+00 -1.857175816e+00 3.82 -1.802566348e+00 -1.802566348e+00 3.84 -1.749513166e+00 -1.749513166e+00 3.86 -1.697968958e+00 -1.697968958e+00 3.88 -1.647894907e+00 -1.647894907e+00 3.90 -1.599258620e+00 -1.599258620e+00 3.92 -1.552029213e+00 -1.552029213e+00 3.94 -1.506182359e+00 -1.506182359e+00 3.96 -1.461684545e+00 -1.461684545e+00 3.98 -1.418500463e+00 -1.418500463e+00 4.00 -1.376589888e+00 -1.376589888e+00 4.02 -1.335908057e+00 -1.335908057e+00 4.04 -1.296406824e+00 -1.296406824e+00 4.06 -1.258036220e+00 -1.258036220e+00 4.08 -1.220746102e+00 -1.220746102e+00 4.10 -1.184483617e+00 -1.184483617e+00 4.12 -1.149211371e+00 -1.149211371e+00 4.14 -1.114881674e+00 -1.114881674e+00 4.16 -1.081456008e+00 -1.081456008e+00 4.18 -1.048900476e+00 -1.048900476e+00 4.20 -1.017186048e+00 -1.017186048e+00 4.22 -9.862886484e-01 -9.862886484e-01 4.24 -9.561890644e-01 -9.561890644e-01 4.26 -9.268726762e-01 -9.268726762e-01 4.28 -8.983289792e-01 -8.983289792e-01 4.30 -8.705508888e-01 -8.705508888e-01 4.32 -8.435338375e-01 -8.435338375e-01 4.34 -8.172747047e-01 -8.172747047e-01 4.36 -7.917706517e-01 -7.917706517e-01 4.38 -7.670179584e-01 -7.670179584e-01 4.40 -7.430109700e-01 -7.430109700e-01 4.42 -7.197412513e-01 -7.197412513e-01 4.44 -6.971970185e-01 -6.971970185e-01 4.46 -6.753628822e-01 -6.753628822e-01 4.48 -6.542198911e-01 -6.542198911e-01 4.50 -6.337458316e-01 -6.337458316e-01 4.52 -6.139157143e-01 -6.139157143e-01 4.54 -5.947023747e-01 -5.947023747e-01 4.56 -5.760771131e-01 -5.760771131e-01 4.58 -5.580103203e-01 -5.580103203e-01 4.60 -5.404720496e-01 -5.404720496e-01 4.62 -5.234325156e-01 -5.234325156e-01 4.64 -5.068625166e-01 -5.068625166e-01 4.66 -4.907337881e-01 -4.907337881e-01 4.68 -4.750193027e-01 -4.750193027e-01 4.70 -4.596935342e-01 -4.596935342e-01 4.72 -4.447327032e-01 -4.447327032e-01 4.74 -4.301150189e-01 -4.301150189e-01 4.76 -4.158209262e-01 -4.158209262e-01 4.78 -4.018333622e-01 -4.018333622e-01 4.80 -3.881348850e-01 -3.881348850e-01 4.82 -3.747209862e-01 -3.747209862e-01 4.84 -3.615798412e-01 -3.615798412e-01 4.86 -3.487068058e-01 -3.487068058e-01 4.88 -3.361007303e-01 -3.361007303e-01 4.90 -3.237639327e-01 -3.237639327e-01 4.92 -3.117020211e-01 -3.117020211e-01 4.94 -2.999235457e-01 -2.999235457e-01 4.96 -2.884394688e-01 -2.884394688e-01 4.98 -2.772624630e-01 -2.772624630e-01 5.00 -2.664060661e-01 -2.664060661e-01 5.02 -2.558837438e-01 -2.558837438e-01 5.04 -2.457079262e-01 -2.457079262e-01 5.06 -2.358890938e-01 -2.358890938e-01 5.08 -2.264349861e-01 -2.264349861e-01 5.10 -2.173499967e-01 -2.173499967e-01 5.12 -2.086347978e-01 -2.086347978e-01 5.14 -2.002862142e-01 -2.002862142e-01 5.16 -1.922973400e-01 -1.922973400e-01 5.18 -1.846578691e-01 -1.846578691e-01 5.20 -1.773545139e-01 -1.773545139e-01 5.22 -1.703716652e-01 -1.703716652e-01 5.24 -1.636923968e-01 -1.636923968e-01 5.26 -1.572988528e-01 -1.572988528e-01 5.28 -1.511729344e-01 -1.511729344e-01 5.30 -1.452969421e-01 -1.452969421e-01 5.32 -1.396541345e-01 -1.396541345e-01 5.34 -1.342291877e-01 -1.342291877e-01 5.36 -1.290085416e-01 -1.290085416e-01 5.38 -1.239806283e-01 -1.239806283e-01 5.40 -1.191359763e-01 -1.191359763e-01 5.42 -1.144671897e-01 -1.144671897e-01 5.44 -1.099688085e-01 -1.099688085e-01 5.46 -1.056370577e-01 -1.056370577e-01 5.48 -1.014695079e-01 -1.014695079e-01 5.50 -9.746466877e-02 -9.746466877e-02 5.52 -9.362155317e-02 -9.362155317e-02 5.54 -8.993924518e-02 -8.993924518e-02 5.56 -8.641650845e-02 -8.641650845e-02 5.58 -8.305146467e-02 -8.305146467e-02 5.60 -7.984133712e-02 -7.984133712e-02 5.62 -7.678222128e-02 -7.678222128e-02 5.64 -7.386940754e-02 -7.386940754e-02 5.66 -7.109721484e-02 -7.109721484e-02 5.68 -6.845906866e-02 -6.845906866e-02 5.70 -6.594767642e-02 -6.594767642e-02 5.72 -6.355522374e-02 -6.355522374e-02 5.74 -6.127357200e-02 -6.127357200e-02 5.76 -5.909444206e-02 -5.909444206e-02 5.78 -5.700957419e-02 -5.700957419e-02 5.80 -5.501085907e-02 -5.501085907e-02 5.82 -5.309043857e-02 -5.309043857e-02 5.84 -5.124077836e-02 -5.124077836e-02 5.86 -4.945471573e-02 -4.945471573e-02 5.88 -4.772548775e-02 -4.772548775e-02 5.90 -4.604674467e-02 -4.604674467e-02 5.92 -4.441255371e-02 -4.441255371e-02 5.94 -4.281739768e-02 -4.281739768e-02 5.96 -4.125617271e-02 -4.125617271e-02 5.98 -3.972418799e-02 -3.972418799e-02 6.00 -3.821717059e-02 -3.821717059e-02