# 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 = Cu2WZr # 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 2.328935577e+02 2.328935577e+02 1.30 2.147482633e+02 2.147482633e+02 1.32 1.980097850e+02 1.980097850e+02 1.34 1.825652087e+02 1.825652087e+02 1.36 1.683078679e+02 1.683078679e+02 1.38 1.551369893e+02 1.551369893e+02 1.40 1.429589870e+02 1.429589870e+02 1.42 1.316889359e+02 1.316889359e+02 1.44 1.212510293e+02 1.212510293e+02 1.46 1.115780249e+02 1.115780249e+02 1.48 1.026101761e+02 1.026101761e+02 1.50 9.429394750e+01 9.429394750e+01 1.52 8.658089656e+01 8.658089656e+01 1.54 7.942685645e+01 7.942685645e+01 1.56 7.279143212e+01 7.279143212e+01 1.58 6.663779666e+01 6.663779666e+01 1.60 6.093260768e+01 6.093260768e+01 1.62 5.564581353e+01 5.564581353e+01 1.64 5.075023022e+01 5.075023022e+01 1.66 4.622095495e+01 4.622095495e+01 1.68 4.203475256e+01 4.203475256e+01 1.70 3.816957280e+01 3.816957280e+01 1.72 3.460406282e+01 3.460406282e+01 1.74 3.131715821e+01 3.131715821e+01 1.76 2.828783657e+01 2.828783657e+01 1.78 2.549518217e+01 2.549518217e+01 1.80 2.291875494e+01 2.291875494e+01 1.82 2.054002437e+01 2.054002437e+01 1.84 1.834143859e+01 1.834143859e+01 1.86 1.630691164e+01 1.630691164e+01 1.88 1.442258237e+01 1.442258237e+01 1.90 1.267676889e+01 1.267676889e+01 1.92 1.105965737e+01 1.105965737e+01 1.94 9.563007364e+00 9.563007364e+00 1.96 8.179557530e+00 8.179557530e+00 1.98 6.902661156e+00 6.902661156e+00 2.00 5.726050440e+00 5.726050440e+00 2.02 4.643676978e+00 4.643676978e+00 2.04 3.649598711e+00 3.649598711e+00 2.06 2.737902776e+00 2.737902776e+00 2.08 1.902667270e+00 1.902667270e+00 2.10 1.137989897e+00 1.137989897e+00 2.12 4.380816480e-01 4.380816480e-01 2.14 -2.025995757e-01 -2.025995757e-01 2.16 -7.892002529e-01 -7.892002529e-01 2.18 -1.326375341e+00 -1.326375341e+00 2.20 -1.818256833e+00 -1.818256833e+00 2.22 -2.268498620e+00 -2.268498620e+00 2.24 -2.680347787e+00 -2.680347787e+00 2.26 -3.056716953e+00 -3.056716953e+00 2.28 -3.400258675e+00 -3.400258675e+00 2.30 -3.713393583e+00 -3.713393583e+00 2.32 -3.998373261e+00 -3.998373261e+00 2.34 -4.257270744e+00 -4.257270744e+00 2.36 -4.491998991e+00 -4.491998991e+00 2.38 -4.704301661e+00 -4.704301661e+00 2.40 -4.895757169e+00 -4.895757169e+00 2.42 -5.067794055e+00 -5.067794055e+00 2.44 -5.221655484e+00 -5.221655484e+00 2.46 -5.358637618e+00 -5.358637618e+00 2.48 -5.479989751e+00 -5.479989751e+00 2.50 -5.586872256e+00 -5.586872256e+00 2.52 -5.680346758e+00 -5.680346758e+00 2.54 -5.761375774e+00 -5.761375774e+00 2.56 -5.830858961e+00 -5.830858961e+00 2.58 -5.889459179e+00 -5.889459179e+00 2.60 -5.937671070e+00 -5.937671070e+00 2.62 -5.975781000e+00 -5.975781000e+00 2.64 -6.004085507e+00 -6.004085507e+00 2.66 -6.022923101e+00 -6.022923101e+00 2.68 -6.032694174e+00 -6.032694174e+00 2.70 -6.033796497e+00 -6.033796497e+00 2.72 -6.026509137e+00 -6.026509137e+00 2.74 -6.011149796e+00 -6.011149796e+00 2.76 -5.988083051e+00 -5.988083051e+00 2.78 -5.957689288e+00 -5.957689288e+00 2.80 -5.920349372e+00 -5.920349372e+00 2.82 -5.876420840e+00 -5.876420840e+00 2.84 -5.826245198e+00 -5.826245198e+00 2.86 -5.770153812e+00 -5.770153812e+00 2.88 -5.708481683e+00 -5.708481683e+00 2.90 -5.641583002e+00 -5.641583002e+00 2.92 -5.569845193e+00 -5.569845193e+00 2.94 -5.493698936e+00 -5.493698936e+00 2.96 -5.413622418e+00 -5.413622418e+00 2.98 -5.330159371e+00 -5.330159371e+00 3.00 -5.244216252e+00 -5.244216252e+00 3.02 -5.156224670e+00 -5.156224670e+00 3.04 -5.066447329e+00 -5.066447329e+00 3.06 -4.975186600e+00 -4.975186600e+00 3.08 -4.882731445e+00 -4.882731445e+00 3.10 -4.789349061e+00 -4.789349061e+00 3.12 -4.695259863e+00 -4.695259863e+00 3.14 -4.600633494e+00 -4.600633494e+00 3.16 -4.505573050e+00 -4.505573050e+00 3.18 -4.410156208e+00 -4.410156208e+00 3.20 -4.314429703e+00 -4.314429703e+00 3.22 -4.218390527e+00 -4.218390527e+00 3.24 -4.122000187e+00 -4.122000187e+00 3.26 -4.025202990e+00 -4.025202990e+00 3.28 -3.927945429e+00 -3.927945429e+00 3.30 -3.830194519e+00 -3.830194519e+00 3.32 -3.731952870e+00 -3.731952870e+00 3.34 -3.633269033e+00 -3.633269033e+00 3.36 -3.534242652e+00 -3.534242652e+00 3.38 -3.435024947e+00 -3.435024947e+00 3.40 -3.335814260e+00 -3.335814260e+00 3.42 -3.236854896e+00 -3.236854896e+00 3.44 -3.138420630e+00 -3.138420630e+00 3.46 -3.040809777e+00 -3.040809777e+00 3.48 -2.944331363e+00 -2.944331363e+00 3.50 -2.849291743e+00 -2.849291743e+00 3.52 -2.755981134e+00 -2.755981134e+00 3.54 -2.664661192e+00 -2.664661192e+00 3.56 -2.575554760e+00 -2.575554760e+00 3.58 -2.488838642e+00 -2.488838642e+00 3.60 -2.404639864e+00 -2.404639864e+00 3.62 -2.323035484e+00 -2.323035484e+00 3.64 -2.244055631e+00 -2.244055631e+00 3.66 -2.167689194e+00 -2.167689194e+00 3.68 -2.093891439e+00 -2.093891439e+00 3.70 -2.022592800e+00 -2.022592800e+00 3.72 -1.953708111e+00 -1.953708111e+00 3.74 -1.887145591e+00 -1.887145591e+00 3.76 -1.822814971e+00 -1.822814971e+00 3.78 -1.760634190e+00 -1.760634190e+00 3.80 -1.700534153e+00 -1.700534153e+00 3.82 -1.642461143e+00 -1.642461143e+00 3.84 -1.586376680e+00 -1.586376680e+00 3.86 -1.532254870e+00 -1.532254870e+00 3.88 -1.480077682e+00 -1.480077682e+00 3.90 -1.429828898e+00 -1.429828898e+00 3.92 -1.381485805e+00 -1.381485805e+00 3.94 -1.335021997e+00 -1.335021997e+00 3.96 -1.290390306e+00 -1.290390306e+00 3.98 -1.247530396e+00 -1.247530396e+00 4.00 -1.206366709e+00 -1.206366709e+00 4.02 -1.166810654e+00 -1.166810654e+00 4.04 -1.128763919e+00 -1.128763919e+00 4.06 -1.092122239e+00 -1.092122239e+00 4.08 -1.056779038e+00 -1.056779038e+00 4.10 -1.022624682e+00 -1.022624682e+00 4.12 -9.895654814e-01 -9.895654814e-01 4.14 -9.574995718e-01 -9.574995718e-01 4.16 -9.263365890e-01 -9.263365890e-01 4.18 -8.959937531e-01 -8.959937531e-01 4.20 -8.663966022e-01 -8.663966022e-01 4.22 -8.374796334e-01 -8.374796334e-01 4.24 -8.091869454e-01 -8.091869454e-01 4.26 -7.814729248e-01 -7.814729248e-01 4.28 -7.543029672e-01 -7.543029672e-01 4.30 -7.276541641e-01 -7.276541641e-01 4.32 -7.015158452e-01 -7.015158452e-01 4.34 -6.758898214e-01 -6.758898214e-01 4.36 -6.507901660e-01 -6.507901660e-01 4.38 -6.262423785e-01 -6.262423785e-01 4.40 -6.022818292e-01 -6.022818292e-01 4.42 -5.789514607e-01 -5.789514607e-01 4.44 -5.562988322e-01 -5.562988322e-01 4.46 -5.343727052e-01 -5.343727052e-01 4.48 -5.132194609e-01 -5.132194609e-01 4.50 -4.928796944e-01 -4.928796944e-01 4.52 -4.733853220e-01 -4.733853220e-01 4.54 -4.547574720e-01 -4.547574720e-01 4.56 -4.370053191e-01 -4.370053191e-01 4.58 -4.201258907e-01 -4.201258907e-01 4.60 -4.041047491e-01 -4.041047491e-01 4.62 -3.889173639e-01 -3.889173639e-01 4.64 -3.745309392e-01 -3.745309392e-01 4.66 -3.609064542e-01 -3.609064542e-01 4.68 -3.480007101e-01 -3.480007101e-01 4.70 -3.357682176e-01 -3.357682176e-01 4.72 -3.241625987e-01 -3.241625987e-01 4.74 -3.131383732e-01 -3.131383732e-01 4.76 -3.026518749e-01 -3.026518749e-01 4.78 -2.926616576e-01 -2.926616576e-01 4.80 -2.831257952e-01 -2.831257952e-01 4.82 -2.740153824e-01 -2.740153824e-01 4.84 -2.652938162e-01 -2.652938162e-01 4.86 -2.569312782e-01 -2.569312782e-01 4.88 -2.489007532e-01 -2.489007532e-01 4.90 -2.411778276e-01 -2.411778276e-01 4.92 -2.337404577e-01 -2.337404577e-01 4.94 -2.265687274e-01 -2.265687274e-01 4.96 -2.196446078e-01 -2.196446078e-01 4.98 -2.129517277e-01 -2.129517277e-01 5.00 -2.064751609e-01 -2.064751609e-01 5.02 -2.002012330e-01 -2.002012330e-01 5.04 -1.941173503e-01 -1.941173503e-01 5.06 -1.882118513e-01 -1.882118513e-01 5.08 -1.824738808e-01 -1.824738808e-01 5.10 -1.768932871e-01 -1.768932871e-01 5.12 -1.714605428e-01 -1.714605428e-01 5.14 -1.661666876e-01 -1.661666876e-01 5.16 -1.610032961e-01 -1.610032961e-01 5.18 -1.559624685e-01 -1.559624685e-01 5.20 -1.510368453e-01 -1.510368453e-01 5.22 -1.462196465e-01 -1.462196465e-01 5.24 -1.415047328e-01 -1.415047328e-01 5.26 -1.368866872e-01 -1.368866872e-01 5.28 -1.323609142e-01 -1.323609142e-01 5.30 -1.279237470e-01 -1.279237470e-01 5.32 -1.235725578e-01 -1.235725578e-01 5.34 -1.193058565e-01 -1.193058565e-01 5.36 -1.151233646e-01 -1.151233646e-01 5.38 -1.110260500e-01 -1.110260500e-01 5.40 -1.070161065e-01 -1.070161065e-01 5.42 -1.030968651e-01 -1.030968651e-01 5.44 -9.927263079e-02 -9.927263079e-02 5.46 -9.554844428e-02 -9.554844428e-02 5.48 -9.192977647e-02 -9.192977647e-02 5.50 -8.842217596e-02 -8.842217596e-02 5.52 -8.503089525e-02 -8.503089525e-02 5.54 -8.176052681e-02 -8.176052681e-02 5.56 -7.861468074e-02 -7.861468074e-02 5.58 -7.559573151e-02 -7.559573151e-02 5.60 -7.270455183e-02 -7.270455183e-02 5.62 -6.994059216e-02 -6.994059216e-02 5.64 -6.730201038e-02 -6.730201038e-02 5.66 -6.478559091e-02 -6.478559091e-02 5.68 -6.238691871e-02 -6.238691871e-02 5.70 -6.010059341e-02 -6.010059341e-02 5.72 -5.792046042e-02 -5.792046042e-02 5.74 -5.583983941e-02 -5.583983941e-02 5.76 -5.385173535e-02 -5.385173535e-02 5.78 -5.194902249e-02 -5.194902249e-02 5.80 -5.012459631e-02 -5.012459631e-02 5.82 -4.837149256e-02 -4.837149256e-02 5.84 -4.668297555e-02 -4.668297555e-02 5.86 -4.505259943e-02 -4.505259943e-02 5.88 -4.347424764e-02 -4.347424764e-02 5.90 -4.194215578e-02 -4.194215578e-02 5.92 -4.045092303e-02 -4.045092303e-02 5.94 -3.899551688e-02 -3.899551688e-02 5.96 -3.757127523e-02 -3.757127523e-02 5.98 -3.617390929e-02 -3.617390929e-02 6.00 -3.479950996e-02 -3.479950996e-02