# 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 = Ag2CoW # 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 2.949383786e+02 2.949383786e+02 1.30 2.724228931e+02 2.724228931e+02 1.32 2.516411082e+02 2.516411082e+02 1.34 2.324513036e+02 2.324513036e+02 1.36 2.147233021e+02 2.147233021e+02 1.38 1.983377668e+02 1.983377668e+02 1.40 1.831856719e+02 1.831856719e+02 1.42 1.691676057e+02 1.691676057e+02 1.44 1.561927803e+02 1.561927803e+02 1.46 1.441780974e+02 1.441780974e+02 1.48 1.330476790e+02 1.330476790e+02 1.50 1.227327103e+02 1.227327103e+02 1.52 1.131710905e+02 1.131710905e+02 1.54 1.043067205e+02 1.043067205e+02 1.56 9.608866886e+01 9.608866886e+01 1.58 8.847042334e+01 8.847042334e+01 1.60 8.140922059e+01 8.140922059e+01 1.62 7.486540482e+01 7.486540482e+01 1.64 6.880185637e+01 6.880185637e+01 1.66 6.318359410e+01 6.318359410e+01 1.68 5.797765124e+01 5.797765124e+01 1.70 5.315366220e+01 5.315366220e+01 1.72 4.868309133e+01 4.868309133e+01 1.74 4.453931805e+01 4.453931805e+01 1.76 4.069831782e+01 4.069831782e+01 1.78 3.713889170e+01 3.713889170e+01 1.80 3.384286942e+01 3.384286942e+01 1.82 3.079122903e+01 3.079122903e+01 1.84 2.796647219e+01 2.796647219e+01 1.86 2.535265213e+01 2.535265213e+01 1.88 2.293517340e+01 2.293517340e+01 1.90 2.070056449e+01 2.070056449e+01 1.92 1.863625480e+01 1.863625480e+01 1.94 1.673039697e+01 1.673039697e+01 1.96 1.497176440e+01 1.497176440e+01 1.98 1.334972084e+01 1.334972084e+01 2.00 1.185423117e+01 1.185423117e+01 2.02 1.047587636e+01 1.047587636e+01 2.04 9.205844601e+00 9.205844601e+00 2.06 8.035887954e+00 8.035887954e+00 2.08 6.958257117e+00 6.958257117e+00 2.10 5.965643807e+00 5.965643807e+00 2.12 5.051157508e+00 5.051157508e+00 2.14 4.208345254e+00 4.208345254e+00 2.16 3.431242437e+00 3.431242437e+00 2.18 2.714429689e+00 2.714429689e+00 2.20 2.053069357e+00 2.053069357e+00 2.22 1.442903832e+00 1.442903832e+00 2.24 8.802397052e-01 8.802397052e-01 2.26 3.619129360e-01 3.619129360e-01 2.28 -1.150917634e-01 -1.150917634e-01 2.30 -5.534824738e-01 -5.534824738e-01 2.32 -9.557076020e-01 -9.557076020e-01 2.34 -1.324023085e+00 -1.324023085e+00 2.36 -1.660539733e+00 -1.660539733e+00 2.38 -1.967224524e+00 -1.967224524e+00 2.40 -2.245697197e+00 -2.245697197e+00 2.42 -2.497440814e+00 -2.497440814e+00 2.44 -2.723956594e+00 -2.723956594e+00 2.46 -2.926744191e+00 -2.926744191e+00 2.48 -3.107286491e+00 -3.107286491e+00 2.50 -3.267038394e+00 -3.267038394e+00 2.52 -3.407418913e+00 -3.407418913e+00 2.54 -3.529807193e+00 -3.529807193e+00 2.56 -3.635542408e+00 -3.635542408e+00 2.58 -3.725954947e+00 -3.725954947e+00 2.60 -3.802316165e+00 -3.802316165e+00 2.62 -3.865774127e+00 -3.865774127e+00 2.64 -3.917416345e+00 -3.917416345e+00 2.66 -3.958246135e+00 -3.958246135e+00 2.68 -3.989163097e+00 -3.989163097e+00 2.70 -4.010955316e+00 -4.010955316e+00 2.72 -4.024299258e+00 -4.024299258e+00 2.74 -4.029710554e+00 -4.029710554e+00 2.76 -4.027596261e+00 -4.027596261e+00 2.78 -4.018329105e+00 -4.018329105e+00 2.80 -4.002261219e+00 -4.002261219e+00 2.82 -3.979733903e+00 -3.979733903e+00 2.84 -3.951085204e+00 -3.951085204e+00 2.86 -3.916656306e+00 -3.916656306e+00 2.88 -3.876797627e+00 -3.876797627e+00 2.90 -3.831875042e+00 -3.831875042e+00 2.92 -3.782276083e+00 -3.782276083e+00 2.94 -3.728427524e+00 -3.728427524e+00 2.96 -3.670973080e+00 -3.670973080e+00 2.98 -3.610278367e+00 -3.610278367e+00 3.00 -3.546642529e+00 -3.546642529e+00 3.02 -3.480420812e+00 -3.480420812e+00 3.04 -3.412003970e+00 -3.412003970e+00 3.06 -3.341793902e+00 -3.341793902e+00 3.08 -3.270177718e+00 -3.270177718e+00 3.10 -3.197504939e+00 -3.197504939e+00 3.12 -3.124083101e+00 -3.124083101e+00 3.14 -3.050158572e+00 -3.050158572e+00 3.16 -2.975901955e+00 -2.975901955e+00 3.18 -2.901413675e+00 -2.901413675e+00 3.20 -2.826735475e+00 -2.826735475e+00 3.22 -2.751865232e+00 -2.751865232e+00 3.24 -2.676773003e+00 -2.676773003e+00 3.26 -2.601416787e+00 -2.601416787e+00 3.28 -2.525757102e+00 -2.525757102e+00 3.30 -2.449769942e+00 -2.449769942e+00 3.32 -2.373457866e+00 -2.373457866e+00 3.34 -2.296859056e+00 -2.296859056e+00 3.36 -2.220054070e+00 -2.220054070e+00 3.38 -2.143169929e+00 -2.143169929e+00 3.40 -2.066381138e+00 -2.066381138e+00 3.42 -1.989907301e+00 -1.989907301e+00 3.44 -1.914007185e+00 -1.914007185e+00 3.46 -1.838969412e+00 -1.838969412e+00 3.48 -1.765100344e+00 -1.765100344e+00 3.50 -1.692710104e+00 -1.692710104e+00 3.52 -1.622097964e+00 -1.622097964e+00 3.54 -1.553538466e+00 -1.553538466e+00 3.56 -1.487269513e+00 -1.487269513e+00 3.58 -1.423483443e+00 -1.423483443e+00 3.60 -1.362321646e+00 -1.362321646e+00 3.62 -1.303872837e+00 -1.303872837e+00 3.64 -1.248174691e+00 -1.248174691e+00 3.66 -1.195218201e+00 -1.195218201e+00 3.68 -1.144953983e+00 -1.144953983e+00 3.70 -1.097299683e+00 -1.097299683e+00 3.72 -1.052147727e+00 -1.052147727e+00 3.74 -1.009372800e+00 -1.009372800e+00 3.76 -9.688386010e-01 -9.688386010e-01 3.78 -9.304036176e-01 -9.304036176e-01 3.80 -8.939257912e-01 -8.939257912e-01 3.82 -8.592660800e-01 -8.592660800e-01 3.84 -8.262910035e-01 -8.262910035e-01 3.86 -7.948743023e-01 -7.948743023e-01 3.88 -7.648978705e-01 -7.648978705e-01 3.90 -7.362521221e-01 -7.362521221e-01 3.92 -7.088359378e-01 -7.088359378e-01 3.94 -6.825563318e-01 -6.825563318e-01 3.96 -6.573279363e-01 -6.573279363e-01 3.98 -6.330724135e-01 -6.330724135e-01 4.00 -6.097178549e-01 -6.097178549e-01 4.02 -5.871982323e-01 -5.871982323e-01 4.04 -5.654529441e-01 -5.654529441e-01 4.06 -5.444264922e-01 -5.444264922e-01 4.08 -5.240683120e-01 -5.240683120e-01 4.10 -5.043327674e-01 -5.043327674e-01 4.12 -4.851793218e-01 -4.851793218e-01 4.14 -4.665728315e-01 -4.665728315e-01 4.16 -4.484839711e-01 -4.484839711e-01 4.18 -4.308896819e-01 -4.308896819e-01 4.20 -4.137735690e-01 -4.137735690e-01 4.22 -3.971261244e-01 -3.971261244e-01 4.24 -3.809446537e-01 -3.809446537e-01 4.26 -3.652327919e-01 -3.652327919e-01 4.28 -3.499995386e-01 -3.499995386e-01 4.30 -3.352578087e-01 -3.352578087e-01 4.32 -3.210225803e-01 -3.210225803e-01 4.34 -3.073088042e-01 -3.073088042e-01 4.36 -2.941292964e-01 -2.941292964e-01 4.38 -2.814928520e-01 -2.814928520e-01 4.40 -2.694027843e-01 -2.694027843e-01 4.42 -2.578560220e-01 -2.578560220e-01 4.44 -2.468428070e-01 -2.468428070e-01 4.46 -2.363469467e-01 -2.363469467e-01 4.48 -2.263465100e-01 -2.263465100e-01 4.50 -2.168148207e-01 -2.168148207e-01 4.52 -2.077215999e-01 -2.077215999e-01 4.54 -1.990341265e-01 -1.990341265e-01 4.56 -1.907183191e-01 -1.907183191e-01 4.58 -1.827396786e-01 -1.827396786e-01 4.60 -1.750640662e-01 -1.750640662e-01 4.62 -1.676583189e-01 -1.676583189e-01 4.64 -1.604907221e-01 -1.604907221e-01 4.66 -1.535313721e-01 -1.535313721e-01 4.68 -1.467524641e-01 -1.467524641e-01 4.70 -1.401285417e-01 -1.401285417e-01 4.72 -1.336367377e-01 -1.336367377e-01 4.74 -1.272570298e-01 -1.272570298e-01 4.76 -1.209725249e-01 -1.209725249e-01 4.78 -1.147697743e-01 -1.147697743e-01 4.80 -1.086391076e-01 -1.086391076e-01 4.82 -1.025749680e-01 -1.025749680e-01 4.84 -9.657619654e-02 -9.657619654e-02 4.86 -9.064624024e-02 -9.064624024e-02 4.88 -8.479321148e-02 -8.479321148e-02 4.90 -7.902975388e-02 -7.902975388e-02 4.92 -7.337266950e-02 -7.337266950e-02 4.94 -6.784228375e-02 -6.784228375e-02 4.96 -6.246141682e-02 -6.246141682e-02 4.98 -5.725433490e-02 -5.725433490e-02 5.00 -5.224593611e-02 -5.224593611e-02 5.02 -4.746004685e-02 -4.746004685e-02 5.04 -4.291815535e-02 -4.291815535e-02 5.06 -3.863832643e-02 -3.863832643e-02 5.08 -3.463436935e-02 -3.463436935e-02 5.10 -3.091531263e-02 -3.091531263e-02 5.12 -2.748520346e-02 -2.748520346e-02 5.14 -2.434321676e-02 -2.434321676e-02 5.16 -2.148402540e-02 -2.148402540e-02 5.18 -1.889836860e-02 -1.889836860e-02 5.20 -1.657361670e-02 -1.657361670e-02 5.22 -1.449458111e-02 -1.449458111e-02 5.24 -1.264475818e-02 -1.264475818e-02 5.26 -1.100653408e-02 -1.100653408e-02 5.28 -9.561808283e-03 -9.561808283e-03 5.30 -8.292536484e-03 -8.292536484e-03 5.32 -7.181161092e-03 -7.181161092e-03 5.34 -6.210933100e-03 -6.210933100e-03 5.36 -5.366135566e-03 -5.366135566e-03 5.38 -4.632222497e-03 -4.632222497e-03 5.40 -3.995888274e-03 -3.995888274e-03 5.42 -3.445082550e-03 -3.445082550e-03 5.44 -2.968984305e-03 -2.968984305e-03 5.46 -2.557946950e-03 -2.557946950e-03 5.48 -2.203424325e-03 -2.203424325e-03 5.50 -1.897885509e-03 -1.897885509e-03 5.52 -1.634724466e-03 -1.634724466e-03 5.54 -1.408169029e-03 -1.408169029e-03 5.56 -1.213192384e-03 -1.213192384e-03 5.58 -1.045429157e-03 -1.045429157e-03 5.60 -9.010974131e-04 -9.010974131e-04 5.62 -7.769272399e-04 -7.769272399e-04 5.64 -6.700961552e-04 -6.700961552e-04 5.66 -5.781712516e-04 -5.781712516e-04 5.68 -4.990577973e-04 -4.990577973e-04 5.70 -4.309538721e-04 -4.309538721e-04 5.72 -3.723105512e-04 -3.723105512e-04 5.74 -3.217971168e-04 -3.217971168e-04 5.76 -2.782707807e-04 -2.782707807e-04 5.78 -2.407504153e-04 -2.407504153e-04 5.80 -2.083938243e-04 -2.083938243e-04 5.82 -1.804781186e-04 -1.804781186e-04 5.84 -1.563828044e-04 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