# 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 = Al2CoMg # 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 1.475416407e+02 1.475416407e+02 1.30 1.367078070e+02 1.367078070e+02 1.32 1.266803125e+02 1.266803125e+02 1.34 1.173935724e+02 1.173935724e+02 1.36 1.087881215e+02 1.087881215e+02 1.38 1.008113194e+02 1.008113194e+02 1.40 9.341633015e+01 9.341633015e+01 1.42 8.655996076e+01 8.655996076e+01 1.44 8.020055878e+01 8.020055878e+01 1.46 7.429720992e+01 7.429720992e+01 1.48 6.881083973e+01 6.881083973e+01 1.50 6.370634948e+01 6.370634948e+01 1.52 5.895395376e+01 5.895395376e+01 1.54 5.452874965e+01 5.452874965e+01 1.56 5.040921085e+01 5.040921085e+01 1.58 4.657630289e+01 4.657630289e+01 1.60 4.301146155e+01 4.301146155e+01 1.62 3.969768499e+01 3.969768499e+01 1.64 3.661975158e+01 3.661975158e+01 1.66 3.375960942e+01 3.375960942e+01 1.68 3.109971058e+01 3.109971058e+01 1.70 2.862378378e+01 2.862378378e+01 1.72 2.631737750e+01 2.631737750e+01 1.74 2.416794284e+01 2.416794284e+01 1.76 2.216449664e+01 2.216449664e+01 1.78 2.029720311e+01 2.029720311e+01 1.80 1.855712261e+01 1.855712261e+01 1.82 1.693612447e+01 1.693612447e+01 1.84 1.542683105e+01 1.542683105e+01 1.86 1.402251146e+01 1.402251146e+01 1.88 1.271690975e+01 1.271690975e+01 1.90 1.150404178e+01 1.150404178e+01 1.92 1.037800485e+01 1.037800485e+01 1.94 9.332855548e+00 9.332855548e+00 1.96 8.362602043e+00 8.362602043e+00 1.98 7.461321192e+00 7.461321192e+00 2.00 6.623365781e+00 6.623365781e+00 2.02 5.843590611e+00 5.843590611e+00 2.04 5.117510120e+00 5.117510120e+00 2.06 4.441322184e+00 4.441322184e+00 2.08 3.811799382e+00 3.811799382e+00 2.10 3.226112656e+00 3.226112656e+00 2.12 2.681663328e+00 2.681663328e+00 2.14 2.175970903e+00 2.175970903e+00 2.16 1.706626376e+00 1.706626376e+00 2.18 1.271295380e+00 1.271295380e+00 2.20 8.677491384e-01 8.677491384e-01 2.22 4.938983571e-01 4.938983571e-01 2.24 1.478173544e-01 1.478173544e-01 2.26 -1.722467300e-01 -1.722467300e-01 2.28 -4.678775867e-01 -4.678775867e-01 2.30 -7.404989136e-01 -7.404989136e-01 2.32 -9.913894355e-01 -9.913894355e-01 2.34 -1.221697412e+00 -1.221697412e+00 2.36 -1.432458780e+00 -1.432458780e+00 2.38 -1.624617363e+00 -1.624617363e+00 2.40 -1.799049011e+00 -1.799049011e+00 2.42 -1.956589560e+00 -1.956589560e+00 2.44 -2.098084980e+00 -2.098084980e+00 2.46 -2.224390877e+00 -2.224390877e+00 2.48 -2.336346976e+00 -2.336346976e+00 2.50 -2.434848226e+00 -2.434848226e+00 2.52 -2.520852186e+00 -2.520852186e+00 2.54 -2.595381949e+00 -2.595381949e+00 2.56 -2.659525933e+00 -2.659525933e+00 2.58 -2.714429349e+00 -2.714429349e+00 2.60 -2.761268283e+00 -2.761268283e+00 2.62 -2.802146069e+00 -2.802146069e+00 2.64 -2.838457509e+00 -2.838457509e+00 2.66 -2.870514718e+00 -2.870514718e+00 2.68 -2.898581661e+00 -2.898581661e+00 2.70 -2.922833970e+00 -2.922833970e+00 2.72 -2.943351807e+00 -2.943351807e+00 2.74 -2.960137232e+00 -2.960137232e+00 2.76 -2.973143140e+00 -2.973143140e+00 2.78 -2.982303814e+00 -2.982303814e+00 2.80 -2.987574245e+00 -2.987574245e+00 2.82 -2.988935317e+00 -2.988935317e+00 2.84 -2.986386023e+00 -2.986386023e+00 2.86 -2.979945989e+00 -2.979945989e+00 2.88 -2.969656014e+00 -2.969656014e+00 2.90 -2.955578686e+00 -2.955578686e+00 2.92 -2.937800884e+00 -2.937800884e+00 2.94 -2.916439126e+00 -2.916439126e+00 2.96 -2.891647761e+00 -2.891647761e+00 2.98 -2.863628769e+00 -2.863628769e+00 3.00 -2.832640636e+00 -2.832640636e+00 3.02 -2.799002797e+00 -2.799002797e+00 3.04 -2.763091947e+00 -2.763091947e+00 3.06 -2.725329152e+00 -2.725329152e+00 3.08 -2.686155492e+00 -2.686155492e+00 3.10 -2.646003945e+00 -2.646003945e+00 3.12 -2.605270060e+00 -2.605270060e+00 3.14 -2.564289829e+00 -2.564289829e+00 3.16 -2.523325587e+00 -2.523325587e+00 3.18 -2.482564862e+00 -2.482564862e+00 3.20 -2.442127177e+00 -2.442127177e+00 3.22 -2.402076741e+00 -2.402076741e+00 3.24 -2.362437239e+00 -2.362437239e+00 3.26 -2.323205895e+00 -2.323205895e+00 3.28 -2.284372086e+00 -2.284372086e+00 3.30 -2.245916717e+00 -2.245916717e+00 3.32 -2.207806587e+00 -2.207806587e+00 3.34 -2.170012341e+00 -2.170012341e+00 3.36 -2.132509826e+00 -2.132509826e+00 3.38 -2.095280520e+00 -2.095280520e+00 3.40 -2.058311578e+00 -2.058311578e+00 3.42 -2.021595979e+00 -2.021595979e+00 3.44 -1.985132247e+00 -1.985132247e+00 3.46 -1.948924458e+00 -1.948924458e+00 3.48 -1.912981799e+00 -1.912981799e+00 3.50 -1.877315711e+00 -1.877315711e+00 3.52 -1.841931482e+00 -1.841931482e+00 3.54 -1.806835518e+00 -1.806835518e+00 3.56 -1.772037731e+00 -1.772037731e+00 3.58 -1.737549974e+00 -1.737549974e+00 3.60 -1.703384729e+00 -1.703384729e+00 3.62 -1.669554002e+00 -1.669554002e+00 3.64 -1.636068497e+00 -1.636068497e+00 3.66 -1.602937050e+00 -1.602937050e+00 3.68 -1.570166331e+00 -1.570166331e+00 3.70 -1.537760764e+00 -1.537760764e+00 3.72 -1.505722623e+00 -1.505722623e+00 3.74 -1.474052242e+00 -1.474052242e+00 3.76 -1.442748291e+00 -1.442748291e+00 3.78 -1.411808042e+00 -1.411808042e+00 3.80 -1.381227599e+00 -1.381227599e+00 3.82 -1.351002049e+00 -1.351002049e+00 3.84 -1.321125518e+00 -1.321125518e+00 3.86 -1.291591124e+00 -1.291591124e+00 3.88 -1.262390853e+00 -1.262390853e+00 3.90 -1.233515372e+00 -1.233515372e+00 3.92 -1.204953740e+00 -1.204953740e+00 3.94 -1.176693617e+00 -1.176693617e+00 3.96 -1.148720567e+00 -1.148720567e+00 3.98 -1.121018494e+00 -1.121018494e+00 4.00 -1.093569682e+00 -1.093569682e+00 4.02 -1.066355103e+00 -1.066355103e+00 4.04 -1.039354902e+00 -1.039354902e+00 4.06 -1.012549087e+00 -1.012549087e+00 4.08 -9.859184286e-01 -9.859184286e-01 4.10 -9.594453164e-01 -9.594453164e-01 4.12 -9.331164228e-01 -9.331164228e-01 4.14 -9.069223220e-01 -9.069223220e-01 4.16 -8.808606905e-01 -8.808606905e-01 4.18 -8.549377489e-01 -8.549377489e-01 4.20 -8.291699360e-01 -8.291699360e-01 4.22 -8.035851982e-01 -8.035851982e-01 4.24 -7.782236292e-01 -7.782236292e-01 4.26 -7.531372015e-01 -7.531372015e-01 4.28 -7.283884050e-01 -7.283884050e-01 4.30 -7.040477269e-01 -7.040477269e-01 4.32 -6.801900820e-01 -6.801900820e-01 4.34 -6.568904826e-01 -6.568904826e-01 4.36 -6.342193867e-01 -6.342193867e-01 4.38 -6.122382397e-01 -6.122382397e-01 4.40 -5.909957087e-01 -5.909957087e-01 4.42 -5.705249903e-01 -5.705249903e-01 4.44 -5.508423987e-01 -5.508423987e-01 4.46 -5.319472452e-01 -5.319472452e-01 4.48 -5.138228446e-01 -5.138228446e-01 4.50 -4.964383756e-01 -4.964383756e-01 4.52 -4.797512680e-01 -4.797512680e-01 4.54 -4.637098100e-01 -4.637098100e-01 4.56 -4.482557183e-01 -4.482557183e-01 4.58 -4.333264963e-01 -4.333264963e-01 4.60 -4.188574831e-01 -4.188574831e-01 4.62 -4.047835643e-01 -4.047835643e-01 4.64 -3.910405696e-01 -3.910405696e-01 4.66 -3.775664157e-01 -3.775664157e-01 4.68 -3.643020686e-01 -3.643020686e-01 4.70 -3.511924041e-01 -3.511924041e-01 4.72 -3.381870392e-01 -3.381870392e-01 4.74 -3.252411904e-01 -3.252411904e-01 4.76 -3.123165949e-01 -3.123165949e-01 4.78 -2.993825055e-01 -2.993825055e-01 4.80 -2.864165545e-01 -2.864165545e-01 4.82 -2.734065719e-01 -2.734065719e-01 4.84 -2.603503500e-01 -2.603503500e-01 4.86 -2.472572602e-01 -2.472572602e-01 4.88 -2.341484811e-01 -2.341484811e-01 4.90 -2.210569899e-01 -2.210569899e-01 4.92 -2.080269760e-01 -2.080269760e-01 4.94 -1.951125982e-01 -1.951125982e-01 4.96 -1.823760695e-01 -1.823760695e-01 4.98 -1.698851313e-01 -1.698851313e-01 5.00 -1.577100618e-01 -1.577100618e-01 5.02 -1.459204258e-01 -1.459204258e-01 5.04 -1.345818318e-01 -1.345818318e-01 5.06 -1.237529620e-01 -1.237529620e-01 5.08 -1.134831151e-01 -1.134831151e-01 5.10 -1.038104371e-01 -1.038104371e-01 5.12 -9.476093077e-02 -9.476093077e-02 5.14 -8.634825123e-02 -8.634825123e-02 5.16 -7.857421274e-02 -7.857421274e-02 5.18 -7.142986978e-02 -7.142986978e-02 5.20 -6.489700736e-02 -6.489700736e-02 5.22 -5.894986836e-02 -5.894986836e-02 5.24 -5.355695898e-02 -5.355695898e-02 5.26 -4.868280180e-02 -4.868280180e-02 5.28 -4.428954467e-02 -4.428954467e-02 5.30 -4.033833218e-02 -4.033833218e-02 5.32 -3.679047217e-02 -3.679047217e-02 5.34 -3.360834446e-02 -3.360834446e-02 5.36 -3.075606281e-02 -3.075606281e-02 5.38 -2.819916222e-02 -2.819916222e-02 5.40 -2.590655012e-02 -2.590655012e-02 5.42 -2.385014114e-02 -2.385014114e-02 5.44 -2.200432604e-02 -2.200432604e-02 5.46 -2.034596011e-02 -2.034596011e-02 5.48 -1.885420937e-02 -1.885420937e-02 5.50 -1.751044206e-02 -1.751044206e-02 5.52 -1.629807250e-02 -1.629807250e-02 5.54 -1.520238064e-02 -1.520238064e-02 5.56 -1.421032365e-02 -1.421032365e-02 5.58 -1.331035166e-02 -1.331035166e-02 5.60 -1.249223486e-02 -1.249223486e-02 5.62 -1.174690649e-02 -1.174690649e-02 5.64 -1.106632322e-02 -1.106632322e-02 5.66 -1.044334296e-02 -1.044334296e-02 5.68 -9.871618694e-03 -9.871618694e-03 5.70 -9.345506605e-03 -9.345506605e-03 5.72 -8.859986238e-03 -8.859986238e-03 5.74 -8.410590836e-03 -8.410590836e-03 5.76 -7.993346052e-03 -7.993346052e-03 5.78 -7.604715636e-03 -7.604715636e-03 5.80 -7.241553033e-03 -7.241553033e-03 5.82 -6.901058083e-03 -6.901058083e-03 5.84 -6.580738264e-03 -6.580738264e-03 5.86 -6.278374054e-03 -6.278374054e-03 5.88 -5.991988143e-03 -5.991988143e-03 5.90 -5.719818246e-03 -5.719818246e-03 5.92 -5.460293342e-03 -5.460293342e-03 5.94 -5.212013186e-03 -5.212013186e-03 5.96 -4.973730900e-03 -4.973730900e-03 5.98 -4.744338514e-03 -4.744338514e-03 6.00 -4.522855249e-03 -4.522855249e-03