# 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 = CuFeTi2 # 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 1.962978716e+02 1.962978716e+02 1.30 1.805139515e+02 1.805139515e+02 1.32 1.659756656e+02 1.659756656e+02 1.34 1.525746667e+02 1.525746667e+02 1.36 1.402143671e+02 1.402143671e+02 1.38 1.288093656e+02 1.288093656e+02 1.40 1.182833324e+02 1.182833324e+02 1.42 1.085670858e+02 1.085670858e+02 1.44 9.959778417e+01 9.959778417e+01 1.46 9.131865452e+01 9.131865452e+01 1.48 8.367825249e+01 8.367825249e+01 1.50 7.662924592e+01 7.662924592e+01 1.52 7.012736223e+01 7.012736223e+01 1.54 6.413083806e+01 6.413083806e+01 1.56 5.860033335e+01 5.860033335e+01 1.58 5.349910206e+01 5.349910206e+01 1.60 4.879319177e+01 4.879319177e+01 1.62 4.445154626e+01 4.445154626e+01 1.64 4.044591647e+01 4.044591647e+01 1.66 3.675050062e+01 3.675050062e+01 1.68 3.334142116e+01 3.334142116e+01 1.70 3.019632921e+01 3.019632921e+01 1.72 2.729440518e+01 2.729440518e+01 1.74 2.461682346e+01 2.461682346e+01 1.76 2.214610202e+01 2.214610202e+01 1.78 1.986637946e+01 1.986637946e+01 1.80 1.776335829e+01 1.776335829e+01 1.82 1.582402477e+01 1.582402477e+01 1.84 1.403647434e+01 1.403647434e+01 1.86 1.238975493e+01 1.238975493e+01 1.88 1.087369234e+01 1.087369234e+01 1.90 9.478722374e+00 9.478722374e+00 1.92 8.195768761e+00 8.195768761e+00 1.94 7.016203754e+00 7.016203754e+00 1.96 5.931897936e+00 5.931897936e+00 1.98 4.935314718e+00 4.935314718e+00 2.00 4.019567718e+00 4.019567718e+00 2.02 3.178394730e+00 3.178394730e+00 2.04 2.406076518e+00 2.406076518e+00 2.06 1.697363737e+00 1.697363737e+00 2.08 1.047448029e+00 1.047448029e+00 2.10 4.519640612e-01 4.519640612e-01 2.12 -9.301680686e-02 -9.301680686e-02 2.14 -5.910283817e-01 -5.910283817e-01 2.16 -1.045283450e+00 -1.045283450e+00 2.18 -1.458759436e+00 -1.458759436e+00 2.20 -1.834276108e+00 -1.834276108e+00 2.22 -2.174555118e+00 -2.174555118e+00 2.24 -2.482255355e+00 -2.482255355e+00 2.26 -2.759981780e+00 -2.759981780e+00 2.28 -3.010269354e+00 -3.010269354e+00 2.30 -3.235547002e+00 -3.235547002e+00 2.32 -3.438091789e+00 -3.438091789e+00 2.34 -3.619980062e+00 -3.619980062e+00 2.36 -3.783049990e+00 -3.783049990e+00 2.38 -3.928886759e+00 -3.928886759e+00 2.40 -4.058838141e+00 -4.058838141e+00 2.42 -4.174055316e+00 -4.174055316e+00 2.44 -4.275544551e+00 -4.275544551e+00 2.46 -4.364215931e+00 -4.364215931e+00 2.48 -4.440919975e+00 -4.440919975e+00 2.50 -4.506469769e+00 -4.506469769e+00 2.52 -4.561652947e+00 -4.561652947e+00 2.54 -4.607335372e+00 -4.607335372e+00 2.56 -4.644181746e+00 -4.644181746e+00 2.58 -4.672751086e+00 -4.672751086e+00 2.60 -4.693591948e+00 -4.693591948e+00 2.62 -4.707236244e+00 -4.707236244e+00 2.64 -4.714197850e+00 -4.714197850e+00 2.66 -4.714972971e+00 -4.714972971e+00 2.68 -4.710027855e+00 -4.710027855e+00 2.70 -4.699639837e+00 -4.699639837e+00 2.72 -4.683988802e+00 -4.683988802e+00 2.74 -4.663330013e+00 -4.663330013e+00 2.76 -4.638121926e+00 -4.638121926e+00 2.78 -4.608396763e+00 -4.608396763e+00 2.80 -4.574155073e+00 -4.574155073e+00 2.82 -4.535450223e+00 -4.535450223e+00 2.84 -4.492384079e+00 -4.492384079e+00 2.86 -4.445110675e+00 -4.445110675e+00 2.88 -4.393834082e+00 -4.393834082e+00 2.90 -4.338812959e+00 -4.338812959e+00 2.92 -4.280369404e+00 -4.280369404e+00 2.94 -4.218851015e+00 -4.218851015e+00 2.96 -4.154615390e+00 -4.154615390e+00 2.98 -4.087985609e+00 -4.087985609e+00 3.00 -4.019208504e+00 -4.019208504e+00 3.02 -3.948534392e+00 -3.948534392e+00 3.04 -3.876221682e+00 -3.876221682e+00 3.06 -3.802527215e+00 -3.802527215e+00 3.08 -3.727694539e+00 -3.727694539e+00 3.10 -3.651944432e+00 -3.651944432e+00 3.12 -3.575468974e+00 -3.575468974e+00 3.14 -3.498431750e+00 -3.498431750e+00 3.16 -3.420972610e+00 -3.420972610e+00 3.18 -3.343216467e+00 -3.343216467e+00 3.20 -3.265282450e+00 -3.265282450e+00 3.22 -3.187291758e+00 -3.187291758e+00 3.24 -3.109372798e+00 -3.109372798e+00 3.26 -3.031663157e+00 -3.031663157e+00 3.28 -2.954308571e+00 -2.954308571e+00 3.30 -2.877459483e+00 -2.877459483e+00 3.32 -2.801266029e+00 -2.801266029e+00 3.34 -2.725872433e+00 -2.725872433e+00 3.36 -2.651411728e+00 -2.651411728e+00 3.38 -2.578001680e+00 -2.578001680e+00 3.40 -2.505742451e+00 -2.505742451e+00 3.42 -2.434716503e+00 -2.434716503e+00 3.44 -2.364990197e+00 -2.364990197e+00 3.46 -2.296617319e+00 -2.296617319e+00 3.48 -2.229643267e+00 -2.229643267e+00 3.50 -2.164109145e+00 -2.164109145e+00 3.52 -2.100054690e+00 -2.100054690e+00 3.54 -2.037519187e+00 -2.037519187e+00 3.56 -1.976540009e+00 -1.976540009e+00 3.58 -1.917149073e+00 -1.917149073e+00 3.60 -1.859368197e+00 -1.859368197e+00 3.62 -1.803204735e+00 -1.803204735e+00 3.64 -1.748648799e+00 -1.748648799e+00 3.66 -1.695672907e+00 -1.695672907e+00 3.68 -1.644234130e+00 -1.644234130e+00 3.70 -1.594278203e+00 -1.594278203e+00 3.72 -1.545744677e+00 -1.545744677e+00 3.74 -1.498572153e+00 -1.498572153e+00 3.76 -1.452702824e+00 -1.452702824e+00 3.78 -1.408085841e+00 -1.408085841e+00 3.80 -1.364679267e+00 -1.364679267e+00 3.82 -1.322450608e+00 -1.322450608e+00 3.84 -1.281376069e+00 -1.281376069e+00 3.86 -1.241438803e+00 -1.241438803e+00 3.88 -1.202626499e+00 -1.202626499e+00 3.90 -1.164928716e+00 -1.164928716e+00 3.92 -1.128334297e+00 -1.128334297e+00 3.94 -1.092829502e+00 -1.092829502e+00 3.96 -1.058396248e+00 -1.058396248e+00 3.98 -1.025011647e+00 -1.025011647e+00 4.00 -9.926479026e-01 -9.926479026e-01 4.02 -9.612728013e-01 -9.612728013e-01 4.04 -9.308505256e-01 -9.308505256e-01 4.06 -9.013426331e-01 -9.013426331e-01 4.08 -8.727090477e-01 -8.727090477e-01 4.10 -8.449088469e-01 -8.449088469e-01 4.12 -8.179015914e-01 -8.179015914e-01 4.14 -7.916471454e-01 -7.916471454e-01 4.16 -7.661068336e-01 -7.661068336e-01 4.18 -7.412437712e-01 -7.412437712e-01 4.20 -7.170233203e-01 -7.170233203e-01 4.22 -6.934135430e-01 -6.934135430e-01 4.24 -6.703856739e-01 -6.703856739e-01 4.26 -6.479146156e-01 -6.479146156e-01 4.28 -6.259794419e-01 -6.259794419e-01 4.30 -6.045638737e-01 -6.045638737e-01 4.32 -5.836566706e-01 -5.836566706e-01 4.34 -5.632518696e-01 -5.632518696e-01 4.36 -5.433487929e-01 -5.433487929e-01 4.38 -5.239517566e-01 -5.239517566e-01 4.40 -5.050694318e-01 -5.050694318e-01 4.42 -4.867138507e-01 -4.867138507e-01 4.44 -4.688990981e-01 -4.688990981e-01 4.46 -4.516397795e-01 -4.516397795e-01 4.48 -4.349494035e-01 -4.349494035e-01 4.50 -4.188388357e-01 -4.188388357e-01 4.52 -4.033149801e-01 -4.033149801e-01 4.54 -3.883798127e-01 -3.883798127e-01 4.56 -3.740298430e-01 -3.740298430e-01 4.58 -3.602560152e-01 -3.602560152e-01 4.60 -3.470440105e-01 -3.470440105e-01 4.62 -3.343748650e-01 -3.343748650e-01 4.64 -3.222258018e-01 -3.222258018e-01 4.66 -3.105711697e-01 -3.105711697e-01 4.68 -2.993833958e-01 -2.993833958e-01 4.70 -2.886338856e-01 -2.886338856e-01 4.72 -2.782938241e-01 -2.782938241e-01 4.74 -2.683348619e-01 -2.683348619e-01 4.76 -2.587296847e-01 -2.587296847e-01 4.78 -2.494524789e-01 -2.494524789e-01 4.80 -2.404792301e-01 -2.404792301e-01 4.82 -2.317883869e-01 -2.317883869e-01 4.84 -2.233605847e-01 -2.233605847e-01 4.86 -2.151792531e-01 -2.151792531e-01 4.88 -2.072307009e-01 -2.072307009e-01 4.90 -1.995042490e-01 -1.995042490e-01 4.92 -1.919922892e-01 -1.919922892e-01 4.94 -1.846902437e-01 -1.846902437e-01 4.96 -1.775963987e-01 -1.775963987e-01 4.98 -1.707115879e-01 -1.707115879e-01 5.00 -1.640387227e-01 -1.640387227e-01 5.02 -1.575821782e-01 -1.575821782e-01 5.04 -1.513470690e-01 -1.513470690e-01 5.06 -1.453384710e-01 -1.453384710e-01 5.08 -1.395606045e-01 -1.395606045e-01 5.10 -1.340159203e-01 -1.340159203e-01 5.12 -1.287053793e-01 -1.287053793e-01 5.14 -1.236276562e-01 -1.236276562e-01 5.16 -1.187789065e-01 -1.187789065e-01 5.18 -1.141528541e-01 -1.141528541e-01 5.20 -1.097410423e-01 -1.097410423e-01 5.22 -1.055331961e-01 -1.055331961e-01 5.24 -1.015176441e-01 -1.015176441e-01 5.26 -9.768175154e-02 -9.768175154e-02 5.28 -9.401232505e-02 -9.401232505e-02 5.30 -9.049596642e-02 -9.049596642e-02 5.32 -8.711936049e-02 -8.711936049e-02 5.34 -8.386949582e-02 -8.386949582e-02 5.36 -8.073382282e-02 -8.073382282e-02 5.38 -7.770035921e-02 -7.770035921e-02 5.40 -7.475775482e-02 -7.475775482e-02 5.42 -7.189532847e-02 -7.189532847e-02 5.44 -6.910308892e-02 -6.910308892e-02 5.46 -6.637175058e-02 -6.637175058e-02 5.48 -6.369275290e-02 -6.369275290e-02 5.50 -6.105829069e-02 -6.105829069e-02 5.52 -5.846136049e-02 -5.846136049e-02 5.54 -5.589582578e-02 -5.589582578e-02 5.56 -5.335650219e-02 -5.335650219e-02 5.58 -5.083926043e-02 -5.083926043e-02 5.60 -4.834114263e-02 -4.834114263e-02 5.62 -4.586048423e-02 -4.586048423e-02 5.64 -4.339703066e-02 -4.339703066e-02 5.66 -4.095203510e-02 -4.095203510e-02 5.68 -3.852832164e-02 -3.852832164e-02 5.70 -3.613029714e-02 -3.613029714e-02 5.72 -3.376389613e-02 -3.376389613e-02 5.74 -3.143644668e-02 -3.143644668e-02 5.76 -2.915645074e-02 -2.915645074e-02 5.78 -2.693328133e-02 -2.693328133e-02 5.80 -2.477680520e-02 -2.477680520e-02 5.82 -2.269695536e-02 -2.269695536e-02 5.84 -2.070328097e-02 -2.070328097e-02 5.86 -1.880450742e-02 -1.880450742e-02 5.88 -1.700814162e-02 -1.700814162e-02 5.90 -1.532015283e-02 -1.532015283e-02 5.92 -1.374463004e-02 -1.374463004e-02 5.94 -1.228362852e-02 -1.228362852e-02 5.96 -1.093782231e-02 -1.093782231e-02 5.98 -9.706076730e-03 -9.706076730e-03 6.00 -8.585598902e-03 -8.585598902e-03