# 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 = AgCuTi2 # 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 2.210480020e+02 2.210480020e+02 1.30 2.044102270e+02 2.044102270e+02 1.32 1.890357683e+02 1.890357683e+02 1.34 1.748211967e+02 1.748211967e+02 1.36 1.616716100e+02 1.616716100e+02 1.38 1.495010340e+02 1.495010340e+02 1.40 1.382315288e+02 1.382315288e+02 1.42 1.277919817e+02 1.277919817e+02 1.44 1.181173910e+02 1.181173910e+02 1.46 1.091484906e+02 1.091484906e+02 1.48 1.008312239e+02 1.008312239e+02 1.50 9.311610191e+01 9.311610191e+01 1.52 8.595767203e+01 8.595767203e+01 1.54 7.931410257e+01 7.931410257e+01 1.56 7.314685834e+01 7.314685834e+01 1.58 6.742048302e+01 6.742048302e+01 1.60 6.210246558e+01 6.210246558e+01 1.62 5.716314127e+01 5.716314127e+01 1.64 5.257550730e+01 5.257550730e+01 1.66 4.831483245e+01 4.831483245e+01 1.68 4.435814841e+01 4.435814841e+01 1.70 4.068388486e+01 4.068388486e+01 1.72 3.727185925e+01 3.727185925e+01 1.74 3.410359968e+01 3.410359968e+01 1.76 3.116189555e+01 3.116189555e+01 1.78 2.843172364e+01 2.843172364e+01 1.80 2.589816924e+01 2.589816924e+01 1.82 2.354723911e+01 2.354723911e+01 1.84 2.136605097e+01 2.136605097e+01 1.86 1.934276431e+01 1.934276431e+01 1.88 1.746643498e+01 1.746643498e+01 1.90 1.572684356e+01 1.572684356e+01 1.92 1.411435981e+01 1.411435981e+01 1.94 1.261989072e+01 1.261989072e+01 1.96 1.123492049e+01 1.123492049e+01 1.98 9.951594703e+00 9.951594703e+00 2.00 8.762762844e+00 8.762762844e+00 2.02 7.661928050e+00 7.661928050e+00 2.04 6.643129830e+00 6.643129830e+00 2.06 5.700828651e+00 5.700828651e+00 2.08 4.829841979e+00 4.829841979e+00 2.10 4.025331837e+00 4.025331837e+00 2.12 3.282809054e+00 3.282809054e+00 2.14 2.598121524e+00 2.598121524e+00 2.16 1.967418873e+00 1.967418873e+00 2.18 1.387103296e+00 1.387103296e+00 2.20 8.537795168e-01 8.537795168e-01 2.22 3.642110341e-01 3.642110341e-01 2.24 -8.471129019e-02 -8.471129019e-02 2.26 -4.959836113e-01 -4.959836113e-01 2.28 -8.724845274e-01 -8.724845274e-01 2.30 -1.216953151e+00 -1.216953151e+00 2.32 -1.531957637e+00 -1.531957637e+00 2.34 -1.819859315e+00 -1.819859315e+00 2.36 -2.082784680e+00 -2.082784680e+00 2.38 -2.322615282e+00 -2.322615282e+00 2.40 -2.541003040e+00 -2.541003040e+00 2.42 -2.739407426e+00 -2.739407426e+00 2.44 -2.919142156e+00 -2.919142156e+00 2.46 -3.081419052e+00 -3.081419052e+00 2.48 -3.227380595e+00 -3.227380595e+00 2.50 -3.358118908e+00 -3.358118908e+00 2.52 -3.474682725e+00 -3.474682725e+00 2.54 -3.578076141e+00 -3.578076141e+00 2.56 -3.669298224e+00 -3.669298224e+00 2.58 -3.749318205e+00 -3.749318205e+00 2.60 -3.818868095e+00 -3.818868095e+00 2.62 -3.878647904e+00 -3.878647904e+00 2.64 -3.929336181e+00 -3.929336181e+00 2.66 -3.971587647e+00 -3.971587647e+00 2.68 -4.006031124e+00 -4.006031124e+00 2.70 -4.033266507e+00 -4.033266507e+00 2.72 -4.053827716e+00 -4.053827716e+00 2.74 -4.068039517e+00 -4.068039517e+00 2.76 -4.076173952e+00 -4.076173952e+00 2.78 -4.078521170e+00 -4.078521170e+00 2.80 -4.075555518e+00 -4.075555518e+00 2.82 -4.067472167e+00 -4.067472167e+00 2.84 -4.054360770e+00 -4.054360770e+00 2.86 -4.036353346e+00 -4.036353346e+00 2.88 -4.013622058e+00 -4.013622058e+00 2.90 -3.986377009e+00 -3.986377009e+00 2.92 -3.954863093e+00 -3.954863093e+00 2.94 -3.919355893e+00 -3.919355893e+00 2.96 -3.880159492e+00 -3.880159492e+00 2.98 -3.837619708e+00 -3.837619708e+00 3.00 -3.792191311e+00 -3.792191311e+00 3.02 -3.744224772e+00 -3.744224772e+00 3.04 -3.694005513e+00 -3.694005513e+00 3.06 -3.641829259e+00 -3.641829259e+00 3.08 -3.587986425e+00 -3.587986425e+00 3.10 -3.532747390e+00 -3.532747390e+00 3.12 -3.476350463e+00 -3.476350463e+00 3.14 -3.418995700e+00 -3.418995700e+00 3.16 -3.360844951e+00 -3.360844951e+00 3.18 -3.302030291e+00 -3.302030291e+00 3.20 -3.242655075e+00 -3.242655075e+00 3.22 -3.182799080e+00 -3.182799080e+00 3.24 -3.122525591e+00 -3.122525591e+00 3.26 -3.061887341e+00 -3.061887341e+00 3.28 -3.000931232e+00 -3.000931232e+00 3.30 -2.939701964e+00 -2.939701964e+00 3.32 -2.878244783e+00 -2.878244783e+00 3.34 -2.816607530e+00 -2.816607530e+00 3.36 -2.754842156e+00 -2.754842156e+00 3.38 -2.693005848e+00 -2.693005848e+00 3.40 -2.631161882e+00 -2.631161882e+00 3.42 -2.569380510e+00 -2.569380510e+00 3.44 -2.507739541e+00 -2.507739541e+00 3.46 -2.446325186e+00 -2.446325186e+00 3.48 -2.385232498e+00 -2.385232498e+00 3.50 -2.324565216e+00 -2.324565216e+00 3.52 -2.264434486e+00 -2.264434486e+00 3.54 -2.204955992e+00 -2.204955992e+00 3.56 -2.146245378e+00 -2.146245378e+00 3.58 -2.088412306e+00 -2.088412306e+00 3.60 -2.031554055e+00 -2.031554055e+00 3.62 -1.975749888e+00 -1.975749888e+00 3.64 -1.921057343e+00 -1.921057343e+00 3.66 -1.867511169e+00 -1.867511169e+00 3.68 -1.815124941e+00 -1.815124941e+00 3.70 -1.763894800e+00 -1.763894800e+00 3.72 -1.713804427e+00 -1.713804427e+00 3.74 -1.664830318e+00 -1.664830318e+00 3.76 -1.616946579e+00 -1.616946579e+00 3.78 -1.570128740e+00 -1.570128740e+00 3.80 -1.524356332e+00 -1.524356332e+00 3.82 -1.479614160e+00 -1.479614160e+00 3.84 -1.435892386e+00 -1.435892386e+00 3.86 -1.393185631e+00 -1.393185631e+00 3.88 -1.351491377e+00 -1.351491377e+00 3.90 -1.310808036e+00 -1.310808036e+00 3.92 -1.271132963e+00 -1.271132963e+00 3.94 -1.232460998e+00 -1.232460998e+00 3.96 -1.194782966e+00 -1.194782966e+00 3.98 -1.158085267e+00 -1.158085267e+00 4.00 -1.122349714e+00 -1.122349714e+00 4.02 -1.087553849e+00 -1.087553849e+00 4.04 -1.053671557e+00 -1.053671557e+00 4.06 -1.020673839e+00 -1.020673839e+00 4.08 -9.885296359e-01 -9.885296359e-01 4.10 -9.572065335e-01 -9.572065335e-01 4.12 -9.266720209e-01 -9.266720209e-01 4.14 -8.968934354e-01 -8.968934354e-01 4.16 -8.678391898e-01 -8.678391898e-01 4.18 -8.394792839e-01 -8.394792839e-01 4.20 -8.117859501e-01 -8.117859501e-01 4.22 -7.847342922e-01 -7.847342922e-01 4.24 -7.583029044e-01 -7.583029044e-01 4.26 -7.324744459e-01 -7.324744459e-01 4.28 -7.072361299e-01 -7.072361299e-01 4.30 -6.825800769e-01 -6.825800769e-01 4.32 -6.585034765e-01 -6.585034765e-01 4.34 -6.350085035e-01 -6.350085035e-01 4.36 -6.121019454e-01 -6.121019454e-01 4.38 -5.897945187e-01 -5.897945187e-01 4.40 -5.680998735e-01 -5.680998735e-01 4.42 -5.470333264e-01 -5.470333264e-01 4.44 -5.266103920e-01 -5.266103920e-01 4.46 -5.068452192e-01 -5.068452192e-01 4.48 -4.877490619e-01 -4.877490619e-01 4.50 -4.693289226e-01 -4.693289226e-01 4.52 -4.515864904e-01 -4.515864904e-01 4.54 -4.345174678e-01 -4.345174678e-01 4.56 -4.181113282e-01 -4.181113282e-01 4.58 -4.023514957e-01 -4.023514957e-01 4.60 -3.872158930e-01 -3.872158930e-01 4.62 -3.726777678e-01 -3.726777678e-01 4.64 -3.587066969e-01 -3.587066969e-01 4.66 -3.452696655e-01 -3.452696655e-01 4.68 -3.323321399e-01 -3.323321399e-01 4.70 -3.198590733e-01 -3.198590733e-01 4.72 -3.078158087e-01 -3.078158087e-01 4.74 -2.961688677e-01 -2.961688677e-01 4.76 -2.848866286e-01 -2.848866286e-01 4.78 -2.739399081e-01 -2.739399081e-01 4.80 -2.633023801e-01 -2.633023801e-01 4.82 -2.529513579e-01 -2.529513579e-01 4.84 -2.428676303e-01 -2.428676303e-01 4.86 -2.330361564e-01 -2.330361564e-01 4.88 -2.234462037e-01 -2.234462037e-01 4.90 -2.140914839e-01 -2.140914839e-01 4.92 -2.049701499e-01 -2.049701499e-01 4.94 -1.960846183e-01 -1.960846183e-01 4.96 -1.874411863e-01 -1.874411863e-01 4.98 -1.790494232e-01 -1.790494232e-01 5.00 -1.709213423e-01 -1.709213423e-01 5.02 -1.630703859e-01 -1.630703859e-01 5.04 -1.555102855e-01 -1.555102855e-01 5.06 -1.482538862e-01 -1.482538862e-01 5.08 -1.413120356e-01 -1.413120356e-01 5.10 -1.346926395e-01 -1.346926395e-01 5.12 -1.283999612e-01 -1.283999612e-01 5.14 -1.224342228e-01 -1.224342228e-01 5.16 -1.167915146e-01 -1.167915146e-01 5.18 -1.114639897e-01 -1.114639897e-01 5.20 -1.064400130e-01 -1.064400130e-01 5.22 -1.017051239e-01 -1.017051239e-01 5.24 -9.724311564e-02 -9.724311564e-02 5.26 -9.303606020e-02 -9.303606020e-02 5.28 -8.906499624e-02 -8.906499624e-02 5.30 -8.531053611e-02 -8.531053611e-02 5.32 -8.175336477e-02 -8.175336477e-02 5.34 -7.837462627e-02 -7.837462627e-02 5.36 -7.515620527e-02 -7.515620527e-02 5.38 -7.208091750e-02 -7.208091750e-02 5.40 -6.913262683e-02 -6.913262683e-02 5.42 -6.629630735e-02 -6.629630735e-02 5.44 -6.355806803e-02 -6.355806803e-02 5.46 -6.090515562e-02 -6.090515562e-02 5.48 -5.832594900e-02 -5.832594900e-02 5.50 -5.580995556e-02 -5.580995556e-02 5.52 -5.334781755e-02 -5.334781755e-02 5.54 -5.093133359e-02 -5.093133359e-02 5.56 -4.855349778e-02 -4.855349778e-02 5.58 -4.620855605e-02 -4.620855605e-02 5.60 -4.389207639e-02 -4.389207639e-02 5.62 -4.160102651e-02 -4.160102651e-02 5.64 -3.933384953e-02 -3.933384953e-02 5.66 -3.709052534e-02 -3.709052534e-02 5.68 -3.487260360e-02 -3.487260360e-02 5.70 -3.268319312e-02 -3.268319312e-02 5.72 -3.052689360e-02 -3.052689360e-02 5.74 -2.840965849e-02 -2.840965849e-02 5.76 -2.633858310e-02 -2.633858310e-02 5.78 -2.432161974e-02 -2.432161974e-02 5.80 -2.236722804e-02 -2.236722804e-02 5.82 -2.048398148e-02 -2.048398148e-02 5.84 -1.868015493e-02 -1.868015493e-02 5.86 -1.696332277e-02 -1.696332277e-02 5.88 -1.533999867e-02 -1.533999867e-02 5.90 -1.381534425e-02 -1.381534425e-02 5.92 -1.239287067e-02 -1.239287067e-02 5.94 -1.107430201e-02 -1.107430201e-02 5.96 -9.860087829e-03 -9.860087829e-03 5.98 -8.749073882e-03 -8.749073882e-03 6.00 -7.738638376e-03 -7.738638376e-03