# 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 = MoW2Zr # 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 4.218579015e+02 4.218579015e+02 1.30 3.903579966e+02 3.903579966e+02 1.32 3.612751047e+02 3.612751047e+02 1.34 3.343963483e+02 3.343963483e+02 1.36 3.095235162e+02 3.095235162e+02 1.38 2.864750760e+02 2.864750760e+02 1.40 2.650890591e+02 2.650890591e+02 1.42 2.452241205e+02 2.452241205e+02 1.44 2.267580433e+02 2.267580433e+02 1.46 2.095848420e+02 2.095848420e+02 1.48 1.936117173e+02 1.936117173e+02 1.50 1.787563591e+02 1.787563591e+02 1.52 1.649448611e+02 1.649448611e+02 1.54 1.521103203e+02 1.521103203e+02 1.56 1.401919214e+02 1.401919214e+02 1.58 1.291341015e+02 1.291341015e+02 1.60 1.188853442e+02 1.188853442e+02 1.62 1.093966248e+02 1.093966248e+02 1.64 1.006199542e+02 1.006199542e+02 1.66 9.250750049e+01 9.250750049e+01 1.68 8.501144636e+01 8.501144636e+01 1.70 7.808449395e+01 7.808449395e+01 1.72 7.168061288e+01 7.168061288e+01 1.74 6.575579548e+01 6.575579548e+01 1.76 6.026865759e+01 6.026865759e+01 1.78 5.518091041e+01 5.518091041e+01 1.80 5.045769423e+01 5.045769423e+01 1.82 4.606783460e+01 4.606783460e+01 1.84 4.198390973e+01 4.198390973e+01 1.86 3.818222323e+01 3.818222323e+01 1.88 3.464256194e+01 3.464256194e+01 1.90 3.134772931e+01 3.134772931e+01 1.92 2.828285504e+01 2.828285504e+01 1.94 2.543464287e+01 2.543464287e+01 1.96 2.279067650e+01 2.279067650e+01 1.98 2.033917904e+01 2.033917904e+01 2.00 1.806960215e+01 1.806960215e+01 2.02 1.597153921e+01 1.597153921e+01 2.04 1.403467716e+01 1.403467716e+01 2.06 1.224723342e+01 1.224723342e+01 2.08 1.059753702e+01 1.059753702e+01 2.10 9.074148816e+00 9.074148816e+00 2.12 7.666048212e+00 7.666048212e+00 2.14 6.362870020e+00 6.362870020e+00 2.16 5.155154284e+00 5.155154284e+00 2.18 4.034517799e+00 4.034517799e+00 2.20 2.993713121e+00 2.993713121e+00 2.22 2.026555786e+00 2.026555786e+00 2.24 1.127776666e+00 1.127776666e+00 2.26 2.928460883e-01 2.928460883e-01 2.28 -4.822027079e-01 -4.822027079e-01 2.30 -1.200899779e+00 -1.200899779e+00 2.32 -1.866476495e+00 -1.866476495e+00 2.34 -2.481926929e+00 -2.481926929e+00 2.36 -3.050088869e+00 -3.050088869e+00 2.38 -3.573681017e+00 -3.573681017e+00 2.40 -4.055326992e+00 -4.055326992e+00 2.42 -4.497569050e+00 -4.497569050e+00 2.44 -4.902864183e+00 -4.902864183e+00 2.46 -5.273577263e+00 -5.273577263e+00 2.48 -5.611960999e+00 -5.611960999e+00 2.50 -5.920130420e+00 -5.920130420e+00 2.52 -6.200036378e+00 -6.200036378e+00 2.54 -6.453444176e+00 -6.453444176e+00 2.56 -6.681922803e+00 -6.681922803e+00 2.58 -6.886848693e+00 -6.886848693e+00 2.60 -7.069425268e+00 -7.069425268e+00 2.62 -7.230713307e+00 -7.230713307e+00 2.64 -7.371681203e+00 -7.371681203e+00 2.66 -7.493228797e+00 -7.493228797e+00 2.68 -7.596234330e+00 -7.596234330e+00 2.70 -7.681502757e+00 -7.681502757e+00 2.72 -7.749852331e+00 -7.749852331e+00 2.74 -7.802340959e+00 -7.802340959e+00 2.76 -7.840036299e+00 -7.840036299e+00 2.78 -7.864000353e+00 -7.864000353e+00 2.80 -7.875288181e+00 -7.875288181e+00 2.82 -7.874990730e+00 -7.874990730e+00 2.84 -7.864046431e+00 -7.864046431e+00 2.86 -7.843268869e+00 -7.843268869e+00 2.88 -7.812953616e+00 -7.812953616e+00 2.90 -7.773065540e+00 -7.773065540e+00 2.92 -7.723810023e+00 -7.723810023e+00 2.94 -7.665522344e+00 -7.665522344e+00 2.96 -7.598472340e+00 -7.598472340e+00 2.98 -7.522818189e+00 -7.522818189e+00 3.00 -7.438816107e+00 -7.438816107e+00 3.02 -7.346822778e+00 -7.346822778e+00 3.04 -7.247268196e+00 -7.247268196e+00 3.06 -7.140606173e+00 -7.140606173e+00 3.08 -7.027130447e+00 -7.027130447e+00 3.10 -6.907089999e+00 -6.907089999e+00 3.12 -6.780727719e+00 -6.780727719e+00 3.14 -6.648275344e+00 -6.648275344e+00 3.16 -6.509925407e+00 -6.509925407e+00 3.18 -6.365846308e+00 -6.365846308e+00 3.20 -6.216187158e+00 -6.216187158e+00 3.22 -6.061092731e+00 -6.061092731e+00 3.24 -5.900723106e+00 -5.900723106e+00 3.26 -5.735276103e+00 -5.735276103e+00 3.28 -5.565010241e+00 -5.565010241e+00 3.30 -5.390265725e+00 -5.390265725e+00 3.32 -5.211481258e+00 -5.211481258e+00 3.34 -5.029205252e+00 -5.029205252e+00 3.36 -4.844101038e+00 -4.844101038e+00 3.38 -4.656946259e+00 -4.656946259e+00 3.40 -4.468625538e+00 -4.468625538e+00 3.42 -4.280122122e+00 -4.280122122e+00 3.44 -4.092491523e+00 -4.092491523e+00 3.46 -3.906838618e+00 -3.906838618e+00 3.48 -3.724281283e+00 -3.724281283e+00 3.50 -3.545909737e+00 -3.545909737e+00 3.52 -3.372743755e+00 -3.372743755e+00 3.54 -3.205692054e+00 -3.205692054e+00 3.56 -3.045518083e+00 -3.045518083e+00 3.58 -2.892815582e+00 -2.892815582e+00 3.60 -2.747995853e+00 -2.747995853e+00 3.62 -2.611287031e+00 -2.611287031e+00 3.64 -2.482744195e+00 -2.482744195e+00 3.66 -2.362268100e+00 -2.362268100e+00 3.68 -2.249629779e+00 -2.249629779e+00 3.70 -2.144498201e+00 -2.144498201e+00 3.72 -2.046468502e+00 -2.046468502e+00 3.74 -1.955088780e+00 -1.955088780e+00 3.76 -1.869884079e+00 -1.869884079e+00 3.78 -1.790376656e+00 -1.790376656e+00 3.80 -1.716102085e+00 -1.716102085e+00 3.82 -1.646621027e+00 -1.646621027e+00 3.84 -1.581526766e+00 -1.581526766e+00 3.86 -1.520448789e+00 -1.520448789e+00 3.88 -1.463052949e+00 -1.463052949e+00 3.90 -1.409038983e+00 -1.409038983e+00 3.92 -1.358134380e+00 -1.358134380e+00 3.94 -1.310097750e+00 -1.310097750e+00 3.96 -1.264701321e+00 -1.264701321e+00 3.98 -1.221736476e+00 -1.221736476e+00 4.00 -1.181008913e+00 -1.181008913e+00 4.02 -1.142337414e+00 -1.142337414e+00 4.04 -1.105553460e+00 -1.105553460e+00 4.06 -1.070501314e+00 -1.070501314e+00 4.08 -1.037038212e+00 -1.037038212e+00 4.10 -1.005028620e+00 -1.005028620e+00 4.12 -9.743682748e-01 -9.743682748e-01 4.14 -9.449453628e-01 -9.449453628e-01 4.16 -9.166664730e-01 -9.166664730e-01 4.18 -8.894491520e-01 -8.894491520e-01 4.20 -8.632205846e-01 -8.632205846e-01 4.22 -8.379162933e-01 -8.379162933e-01 4.24 -8.134791895e-01 -8.134791895e-01 4.26 -7.898586533e-01 -7.898586533e-01 4.28 -7.670096805e-01 -7.670096805e-01 4.30 -7.448921141e-01 -7.448921141e-01 4.32 -7.234699649e-01 -7.234699649e-01 4.34 -7.027108207e-01 -7.027108207e-01 4.36 -6.825853376e-01 -6.825853376e-01 4.38 -6.630668047e-01 -6.630668047e-01 4.40 -6.441307745e-01 -6.441307745e-01 4.42 -6.257547495e-01 -6.257547495e-01 4.44 -6.079179169e-01 -6.079179169e-01 4.46 -5.906009251e-01 -5.906009251e-01 4.48 -5.737856946e-01 -5.737856946e-01 4.50 -5.574552577e-01 -5.574552577e-01 4.52 -5.415936238e-01 -5.415936238e-01 4.54 -5.261856643e-01 -5.261856643e-01 4.56 -5.112170150e-01 -5.112170150e-01 4.58 -4.966739931e-01 -4.966739931e-01 4.60 -4.825435257e-01 -4.825435257e-01 4.62 -4.688130885e-01 -4.688130885e-01 4.64 -4.554706529e-01 -4.554706529e-01 4.66 -4.425046397e-01 -4.425046397e-01 4.68 -4.299038788e-01 -4.299038788e-01 4.70 -4.176575734e-01 -4.176575734e-01 4.72 -4.057552684e-01 -4.057552684e-01 4.74 -3.941868218e-01 -3.941868218e-01 4.76 -3.829423790e-01 -3.829423790e-01 4.78 -3.720123487e-01 -3.720123487e-01 4.80 -3.613842047e-01 -3.613842047e-01 4.82 -3.510557132e-01 -3.510557132e-01 4.84 -3.410141351e-01 -3.410141351e-01 4.86 -3.312507440e-01 -3.312507440e-01 4.88 -3.217569760e-01 -3.217569760e-01 4.90 -3.125244144e-01 -3.125244144e-01 4.92 -3.035447732e-01 -3.035447732e-01 4.94 -2.948098829e-01 -2.948098829e-01 4.96 -2.863116762e-01 -2.863116762e-01 4.98 -2.780421760e-01 -2.780421760e-01 5.00 -2.699934837e-01 -2.699934837e-01 5.02 -2.621577704e-01 -2.621577704e-01 5.04 -2.545272715e-01 -2.545272715e-01 5.06 -2.470942835e-01 -2.470942835e-01 5.08 -2.398511673e-01 -2.398511673e-01 5.10 -2.327903566e-01 -2.327903566e-01 5.12 -2.259043745e-01 -2.259043745e-01 5.14 -2.191858591e-01 -2.191858591e-01 5.16 -2.126276001e-01 -2.126276001e-01 5.18 -2.062225888e-01 -2.062225888e-01 5.20 -1.999640816e-01 -1.999640816e-01 5.22 -1.938456793e-01 -1.938456793e-01 5.24 -1.878614213e-01 -1.878614213e-01 5.26 -1.820058938e-01 -1.820058938e-01 5.28 -1.762743495e-01 -1.762743495e-01 5.30 -1.706628321e-01 -1.706628321e-01 5.32 -1.651682993e-01 -1.651682993e-01 5.34 -1.597887314e-01 -1.597887314e-01 5.36 -1.545232162e-01 -1.545232162e-01 5.38 -1.493719927e-01 -1.493719927e-01 5.40 -1.443364391e-01 -1.443364391e-01 5.42 -1.394189962e-01 -1.394189962e-01 5.44 -1.346230162e-01 -1.346230162e-01 5.46 -1.299525403e-01 -1.299525403e-01 5.48 -1.254120072e-01 -1.254120072e-01 5.50 -1.210059198e-01 -1.210059198e-01 5.52 -1.167384909e-01 -1.167384909e-01 5.54 -1.126132959e-01 -1.126132959e-01 5.56 -1.086329649e-01 -1.086329649e-01 5.58 -1.047989400e-01 -1.047989400e-01 5.60 -1.011111985e-01 -1.011111985e-01 5.62 -9.756836443e-02 -9.756836443e-02 5.64 -9.416784263e-02 -9.416784263e-02 5.66 -9.090570619e-02 -9.090570619e-02 5.68 -8.777686316e-02 -8.777686316e-02 5.70 -8.477526160e-02 -8.477526160e-02 5.72 -8.189411064e-02 -8.189411064e-02 5.74 -7.912609907e-02 -7.912609907e-02 5.76 -7.646359715e-02 -7.646359715e-02 5.78 -7.389883259e-02 -7.389883259e-02 5.80 -7.142403605e-02 -7.142403605e-02 5.82 -6.903155569e-02 -6.903155569e-02 5.84 -6.671394261e-02 -6.671394261e-02 5.86 -6.446401157e-02 -6.446401157e-02 5.88 -6.227488179e-02 -6.227488179e-02 5.90 -6.014000326e-02 -6.014000326e-02 5.92 -5.805317384e-02 -5.805317384e-02 5.94 -5.600855200e-02 -5.600855200e-02 5.96 -5.400066926e-02 -5.400066926e-02 5.98 -5.202444623e-02 -5.202444623e-02 6.00 -5.007521458e-02 -5.007521458e-02