# 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 = Mg2NiW # 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 3.830978072e+02 3.830978072e+02 1.30 3.542900839e+02 3.542900839e+02 1.32 3.276956069e+02 3.276956069e+02 1.34 3.031320690e+02 3.031320690e+02 1.36 2.804314917e+02 2.804314917e+02 1.38 2.594398381e+02 2.594398381e+02 1.40 2.400167008e+02 2.400167008e+02 1.42 2.220349787e+02 2.220349787e+02 1.44 2.053802160e+02 2.053802160e+02 1.46 1.899493043e+02 1.899493043e+02 1.48 1.756487787e+02 1.756487787e+02 1.50 1.623932589e+02 1.623932589e+02 1.52 1.501044597e+02 1.501044597e+02 1.54 1.387107076e+02 1.387107076e+02 1.56 1.281465531e+02 1.281465531e+02 1.58 1.183521790e+02 1.183521790e+02 1.60 1.092726749e+02 1.092726749e+02 1.62 1.008573888e+02 1.008573888e+02 1.64 9.305942164e+01 9.305942164e+01 1.66 8.583566966e+01 8.583566966e+01 1.68 7.914574528e+01 7.914574528e+01 1.70 7.295133905e+01 7.295133905e+01 1.72 6.721628257e+01 6.721628257e+01 1.74 6.190633135e+01 6.190633135e+01 1.76 5.698887388e+01 5.698887388e+01 1.78 5.243308187e+01 5.243308187e+01 1.80 4.821055739e+01 4.821055739e+01 1.82 4.429516045e+01 4.429516045e+01 1.84 4.066312782e+01 4.066312782e+01 1.86 3.729309505e+01 3.729309505e+01 1.88 3.416597034e+01 3.416597034e+01 1.90 3.126467776e+01 3.126467776e+01 1.92 2.857381722e+01 2.857381722e+01 1.94 2.607931744e+01 2.607931744e+01 1.96 2.376814345e+01 2.376814345e+01 1.98 2.162809254e+01 2.162809254e+01 2.00 1.964766193e+01 1.964766193e+01 2.02 1.781595543e+01 1.781595543e+01 2.04 1.612260942e+01 1.612260942e+01 2.06 1.455773458e+01 1.455773458e+01 2.08 1.311188049e+01 1.311188049e+01 2.10 1.177603514e+01 1.177603514e+01 2.12 1.054166022e+01 1.054166022e+01 2.14 9.400752294e+00 9.400752294e+00 2.16 8.345909283e+00 8.345909283e+00 2.18 7.370373308e+00 7.370373308e+00 2.20 6.468109792e+00 6.468109792e+00 2.22 5.633649513e+00 5.633649513e+00 2.24 4.861838484e+00 4.861838484e+00 2.26 4.148058902e+00 4.148058902e+00 2.28 3.488144499e+00 3.488144499e+00 2.30 2.878299151e+00 2.878299151e+00 2.32 2.315062104e+00 2.315062104e+00 2.34 1.795533249e+00 1.795533249e+00 2.36 1.317048276e+00 1.317048276e+00 2.38 8.770000796e-01 8.770000796e-01 2.40 4.728909053e-01 4.728909053e-01 2.42 1.023642289e-01 1.023642289e-01 2.44 -2.367845960e-01 -2.367845960e-01 2.46 -5.466157663e-01 -5.466157663e-01 2.48 -8.290584702e-01 -8.290584702e-01 2.50 -1.085923821e+00 -1.085923821e+00 2.52 -1.318913827e+00 -1.318913827e+00 2.54 -1.529627098e+00 -1.529627098e+00 2.56 -1.719559503e+00 -1.719559503e+00 2.58 -1.890110940e+00 -1.890110940e+00 2.60 -2.042591377e+00 -2.042591377e+00 2.62 -2.178227919e+00 -2.178227919e+00 2.64 -2.298175764e+00 -2.298175764e+00 2.66 -2.403525726e+00 -2.403525726e+00 2.68 -2.495284469e+00 -2.495284469e+00 2.70 -2.574250951e+00 -2.574250951e+00 2.72 -2.641156324e+00 -2.641156324e+00 2.74 -2.696724176e+00 -2.696724176e+00 2.76 -2.741664125e+00 -2.741664125e+00 2.78 -2.776663435e+00 -2.776663435e+00 2.80 -2.802379938e+00 -2.802379938e+00 2.82 -2.819434968e+00 -2.819434968e+00 2.84 -2.828413526e+00 -2.828413526e+00 2.86 -2.829868223e+00 -2.829868223e+00 2.88 -2.824328011e+00 -2.824328011e+00 2.90 -2.812309557e+00 -2.812309557e+00 2.92 -2.794328936e+00 -2.794328936e+00 2.94 -2.770911447e+00 -2.770911447e+00 2.96 -2.742597674e+00 -2.742597674e+00 2.98 -2.709944546e+00 -2.709944546e+00 3.00 -2.673520864e+00 -2.673520864e+00 3.02 -2.633897625e+00 -2.633897625e+00 3.04 -2.591634104e+00 -2.591634104e+00 3.06 -2.547263215e+00 -2.547263215e+00 3.08 -2.501274323e+00 -2.501274323e+00 3.10 -2.454101485e+00 -2.454101485e+00 3.12 -2.406113743e+00 -2.406113743e+00 3.14 -2.357613465e+00 -2.357613465e+00 3.16 -2.308834099e+00 -2.308834099e+00 3.18 -2.259948274e+00 -2.259948274e+00 3.20 -2.211075987e+00 -2.211075987e+00 3.22 -2.162295416e+00 -2.162295416e+00 3.24 -2.113654383e+00 -2.113654383e+00 3.26 -2.065181295e+00 -2.065181295e+00 3.28 -2.016917817e+00 -2.016917817e+00 3.30 -1.968911681e+00 -1.968911681e+00 3.32 -1.921096076e+00 -1.921096076e+00 3.34 -1.873415505e+00 -1.873415505e+00 3.36 -1.825836390e+00 -1.825836390e+00 3.38 -1.778348791e+00 -1.778348791e+00 3.40 -1.730892614e+00 -1.730892614e+00 3.42 -1.683235457e+00 -1.683235457e+00 3.44 -1.635190004e+00 -1.635190004e+00 3.46 -1.586660341e+00 -1.586660341e+00 3.48 -1.537640364e+00 -1.537640364e+00 3.50 -1.488206897e+00 -1.488206897e+00 3.52 -1.438507465e+00 -1.438507465e+00 3.54 -1.388743643e+00 -1.388743643e+00 3.56 -1.339151715e+00 -1.339151715e+00 3.58 -1.289982682e+00 -1.289982682e+00 3.60 -1.241483692e+00 -1.241483692e+00 3.62 -1.193882542e+00 -1.193882542e+00 3.64 -1.147376308e+00 -1.147376308e+00 3.66 -1.102124513e+00 -1.102124513e+00 3.68 -1.058246627e+00 -1.058246627e+00 3.70 -1.015823259e+00 -1.015823259e+00 3.72 -9.749001849e-01 -9.749001849e-01 3.74 -9.354942238e-01 -9.354942238e-01 3.76 -8.976000380e-01 -8.976000380e-01 3.78 -8.611970300e-01 -8.611970300e-01 3.80 -8.262556323e-01 -8.262556323e-01 3.82 -7.927424445e-01 -7.927424445e-01 3.84 -7.606238448e-01 -7.606238448e-01 3.86 -7.298679012e-01 -7.298679012e-01 3.88 -7.004446402e-01 -7.004446402e-01 3.90 -6.723249674e-01 -6.723249674e-01 3.92 -6.454785086e-01 -6.454785086e-01 3.94 -6.198723314e-01 -6.198723314e-01 3.96 -5.954675790e-01 -5.954675790e-01 3.98 -5.722193285e-01 -5.722193285e-01 4.00 -5.500760566e-01 -5.500760566e-01 4.02 -5.289802700e-01 -5.289802700e-01 4.04 -5.088698154e-01 -5.088698154e-01 4.06 -4.896795757e-01 -4.896795757e-01 4.08 -4.713432592e-01 -4.713432592e-01 4.10 -4.537943686e-01 -4.537943686e-01 4.12 -4.369704346e-01 -4.369704346e-01 4.14 -4.208095112e-01 -4.208095112e-01 4.16 -4.052540839e-01 -4.052540839e-01 4.18 -3.902506439e-01 -3.902506439e-01 4.20 -3.757499238e-01 -3.757499238e-01 4.22 -3.617070175e-01 -3.617070175e-01 4.24 -3.480814590e-01 -3.480814590e-01 4.26 -3.348373158e-01 -3.348373158e-01 4.28 -3.219433369e-01 -3.219433369e-01 4.30 -3.093731700e-01 -3.093731700e-01 4.32 -2.971056410e-01 -2.971056410e-01 4.34 -2.851250634e-01 -2.851250634e-01 4.36 -2.734215197e-01 -2.734215197e-01 4.38 -2.619910392e-01 -2.619910392e-01 4.40 -2.508355844e-01 -2.508355844e-01 4.42 -2.399627601e-01 -2.399627601e-01 4.44 -2.293851782e-01 -2.293851782e-01 4.46 -2.191194521e-01 -2.191194521e-01 4.48 -2.091848438e-01 -2.091848438e-01 4.50 -1.996016528e-01 -1.996016528e-01 4.52 -1.903894833e-01 -1.903894833e-01 4.54 -1.815655648e-01 -1.815655648e-01 4.56 -1.731433004e-01 -1.731433004e-01 4.58 -1.651311884e-01 -1.651311884e-01 4.60 -1.575322088e-01 -1.575322088e-01 4.62 -1.503436935e-01 -1.503436935e-01 4.64 -1.435576377e-01 -1.435576377e-01 4.66 -1.371613569e-01 -1.371613569e-01 4.68 -1.311383714e-01 -1.311383714e-01 4.70 -1.254693982e-01 -1.254693982e-01 4.72 -1.201333274e-01 -1.201333274e-01 4.74 -1.151081210e-01 -1.151081210e-01 4.76 -1.103715880e-01 -1.103715880e-01 4.78 -1.059019937e-01 -1.059019937e-01 4.80 -1.016781026e-01 -1.016781026e-01 4.82 -9.768118632e-02 -9.768118632e-02 4.84 -9.389252897e-02 -9.389252897e-02 4.86 -9.029538416e-02 -9.029538416e-02 4.88 -8.687448523e-02 -8.687448523e-02 4.90 -8.361594228e-02 -8.361594228e-02 4.92 -8.050692866e-02 -8.050692866e-02 4.94 -7.753628563e-02 -7.753628563e-02 4.96 -7.469402929e-02 -7.469402929e-02 4.98 -7.197115275e-02 -7.197115275e-02 5.00 -6.935952470e-02 -6.935952470e-02 5.02 -6.685179167e-02 -6.685179167e-02 5.04 -6.444128693e-02 -6.444128693e-02 5.06 -6.212194795e-02 -6.212194795e-02 5.08 -5.988824324e-02 -5.988824324e-02 5.10 -5.773510899e-02 -5.773510899e-02 5.12 -5.565789531e-02 -5.565789531e-02 5.14 -5.365232204e-02 -5.365232204e-02 5.16 -5.171444353e-02 -5.171444353e-02 5.18 -4.984062211e-02 -4.984062211e-02 5.20 -4.802750957e-02 -4.802750957e-02 5.22 -4.627203613e-02 -4.627203613e-02 5.24 -4.457140594e-02 -4.457140594e-02 5.26 -4.292309810e-02 -4.292309810e-02 5.28 -4.132487174e-02 -4.132487174e-02 5.30 -3.977477341e-02 -3.977477341e-02 5.32 -3.827114437e-02 -3.827114437e-02 5.34 -3.681262520e-02 -3.681262520e-02 5.36 -3.539815489e-02 -3.539815489e-02 5.38 -3.402696113e-02 -3.402696113e-02 5.40 -3.269853962e-02 -3.269853962e-02 5.42 -3.141262052e-02 -3.141262052e-02 5.44 -3.016912151e-02 -3.016912151e-02 5.46 -2.896808862e-02 -2.896808862e-02 5.48 -2.780962773e-02 -2.780962773e-02 5.50 -2.669383144e-02 -2.669383144e-02 5.52 -2.562070674e-02 -2.562070674e-02 5.54 -2.459010979e-02 -2.459010979e-02 5.56 -2.360169304e-02 -2.360169304e-02 5.58 -2.265486898e-02 -2.265486898e-02 5.60 -2.174879255e-02 -2.174879255e-02 5.62 -2.088236222e-02 -2.088236222e-02 5.64 -2.005423769e-02 -2.005423769e-02 5.66 -1.926287065e-02 -1.926287065e-02 5.68 -1.850654437e-02 -1.850654437e-02 5.70 -1.778341758e-02 -1.778341758e-02 5.72 -1.709156861e-02 -1.709156861e-02 5.74 -1.642903634e-02 -1.642903634e-02 5.76 -1.579382642e-02 -1.579382642e-02 5.78 -1.518399052e-02 -1.518399052e-02 5.80 -1.459765208e-02 -1.459765208e-02 5.82 -1.403300168e-02 -1.403300168e-02 5.84 -1.348830916e-02 -1.348830916e-02 5.86 -1.296193115e-02 -1.296193115e-02 5.88 -1.245231532e-02 -1.245231532e-02 5.90 -1.195800240e-02 -1.195800240e-02 5.92 -1.147762689e-02 -1.147762689e-02 5.94 -1.100991743e-02 -1.100991743e-02 5.96 -1.055369760e-02 -1.055369760e-02 5.98 -1.010788754e-02 -1.010788754e-02 6.00 -9.671507034e-03 -9.671507034e-03