# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = CrFeMn2 # 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 2024-11-27 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 1.304809103e+04 1.304809103e+04 1.02 1.189923032e+04 1.189923032e+04 1.04 1.084676168e+04 1.084676168e+04 1.06 9.885588585e+03 9.885588585e+03 1.08 9.007755004e+03 9.007755004e+03 1.10 8.202224498e+03 8.202224498e+03 1.12 7.460729651e+03 7.460729651e+03 1.14 6.777043390e+03 6.777043390e+03 1.16 6.146408841e+03 6.146408841e+03 1.18 5.565160409e+03 5.565160409e+03 1.20 5.029478988e+03 5.029478988e+03 1.22 4.534278763e+03 4.534278763e+03 1.24 4.075151209e+03 4.075151209e+03 1.26 3.648825962e+03 3.648825962e+03 1.28 3.252297951e+03 3.252297951e+03 1.30 2.882701217e+03 2.882701217e+03 1.32 2.537660550e+03 2.537660550e+03 1.34 2.215826796e+03 2.215826796e+03 1.36 1.917685231e+03 1.917685231e+03 1.38 1.643036544e+03 1.643036544e+03 1.40 1.388839664e+03 1.388839664e+03 1.42 1.152140140e+03 1.152140140e+03 1.44 9.317024741e+02 9.317024741e+02 1.46 7.438646556e+02 7.438646556e+02 1.48 5.954195400e+02 5.954195400e+02 1.50 4.777729563e+02 4.777729563e+02 1.52 3.842093272e+02 3.842093272e+02 1.54 3.095056728e+02 3.095056728e+02 1.56 2.496678713e+02 2.496678713e+02 1.58 2.016323492e+02 2.016323492e+02 1.60 1.629473070e+02 1.629473070e+02 1.62 1.316873278e+02 1.316873278e+02 1.64 1.064046380e+02 1.064046380e+02 1.66 8.597511825e+01 8.597511825e+01 1.68 6.946566320e+01 6.946566320e+01 1.70 5.608109026e+01 5.608109026e+01 1.72 4.518072959e+01 4.518072959e+01 1.74 3.627332978e+01 3.627332978e+01 1.76 2.898663804e+01 2.898663804e+01 1.78 2.303198546e+01 2.303198546e+01 1.80 1.817587895e+01 1.817587895e+01 1.82 1.422686370e+01 1.422686370e+01 1.84 1.102508056e+01 1.102508056e+01 1.86 8.435558476e+00 8.435558476e+00 1.88 6.345146064e+00 6.345146064e+00 1.90 4.659480016e+00 4.659480016e+00 1.92 3.300548107e+00 3.300548107e+00 1.94 2.203781862e+00 2.203781862e+00 1.96 1.314902493e+00 1.314902493e+00 1.98 5.869553640e-01 5.869553640e-01 2.00 -2.009266050e-02 -2.009266050e-02 2.02 -5.375086894e-01 -5.375086894e-01 2.04 -9.836558161e-01 -9.836558161e-01 2.06 -1.371255218e+00 -1.371255218e+00 2.08 -1.710171353e+00 -1.710171353e+00 2.10 -2.008033375e+00 -2.008033375e+00 2.12 -2.270265231e+00 -2.270265231e+00 2.14 -2.499978635e+00 -2.499978635e+00 2.16 -2.698803671e+00 -2.698803671e+00 2.18 -2.867650517e+00 -2.867650517e+00 2.20 -3.007646211e+00 -3.007646211e+00 2.22 -3.119762795e+00 -3.119762795e+00 2.24 -3.205212920e+00 -3.205212920e+00 2.26 -3.267288296e+00 -3.267288296e+00 2.28 -3.309942721e+00 -3.309942721e+00 2.30 -3.337685570e+00 -3.337685570e+00 2.32 -3.355853625e+00 -3.355853625e+00 2.34 -3.370305013e+00 -3.370305013e+00 2.36 -3.385075329e+00 -3.385075329e+00 2.38 -3.400286274e+00 -3.400286274e+00 2.40 -3.414107944e+00 -3.414107944e+00 2.42 -3.424202079e+00 -3.424202079e+00 2.44 -3.428614405e+00 -3.428614405e+00 2.46 -3.426009864e+00 -3.426009864e+00 2.48 -3.416079947e+00 -3.416079947e+00 2.50 -3.399173321e+00 -3.399173321e+00 2.52 -3.375838213e+00 -3.375838213e+00 2.54 -3.346798531e+00 -3.346798531e+00 2.56 -3.312774929e+00 -3.312774929e+00 2.58 -3.274479413e+00 -3.274479413e+00 2.60 -3.232617431e+00 -3.232617431e+00 2.62 -3.187889599e+00 -3.187889599e+00 2.64 -3.140996143e+00 -3.140996143e+00 2.66 -3.092630283e+00 -3.092630283e+00 2.68 -3.043218789e+00 -3.043218789e+00 2.70 -2.992836012e+00 -2.992836012e+00 2.72 -2.941530632e+00 -2.941530632e+00 2.74 -2.889314465e+00 -2.889314465e+00 2.76 -2.836134444e+00 -2.836134444e+00 2.78 -2.781933186e+00 -2.781933186e+00 2.80 -2.726657656e+00 -2.726657656e+00 2.82 -2.670264714e+00 -2.670264714e+00 2.84 -2.612862548e+00 -2.612862548e+00 2.86 -2.554820089e+00 -2.554820089e+00 2.88 -2.496523711e+00 -2.496523711e+00 2.90 -2.438346085e+00 -2.438346085e+00 2.92 -2.380579725e+00 -2.380579725e+00 2.94 -2.323460306e+00 -2.323460306e+00 2.96 -2.267194915e+00 -2.267194915e+00 2.98 -2.211984215e+00 -2.211984215e+00 3.00 -2.157941255e+00 -2.157941255e+00 3.02 -2.104953456e+00 -2.104953456e+00 3.04 -2.052872323e+00 -2.052872323e+00 3.06 -2.001548267e+00 -2.001548267e+00 3.08 -1.950825952e+00 -1.950825952e+00 3.10 -1.900424921e+00 -1.900424921e+00 3.12 -1.849913214e+00 -1.849913214e+00 3.14 -1.798844117e+00 -1.798844117e+00 3.16 -1.746873881e+00 -1.746873881e+00 3.18 -1.694078794e+00 -1.694078794e+00 3.20 -1.640706574e+00 -1.640706574e+00 3.22 -1.587026053e+00 -1.587026053e+00 3.24 -1.533335753e+00 -1.533335753e+00 3.26 -1.480001333e+00 -1.480001333e+00 3.28 -1.427471982e+00 -1.427471982e+00 3.30 -1.376292348e+00 -1.376292348e+00 3.32 -1.326989838e+00 -1.326989838e+00 3.34 -1.279648163e+00 -1.279648163e+00 3.36 -1.234094677e+00 -1.234094677e+00 3.38 -1.190006260e+00 -1.190006260e+00 3.40 -1.146959031e+00 -1.146959031e+00 3.42 -1.104502388e+00 -1.104502388e+00 3.44 -1.062217877e+00 -1.062217877e+00 3.46 -1.019835720e+00 -1.019835720e+00 3.48 -9.772367265e-01 -9.772367265e-01 3.50 -9.344946853e-01 -9.344946853e-01 3.52 -8.917599710e-01 -8.917599710e-01 3.54 -8.491740210e-01 -8.491740210e-01 3.56 -8.068628805e-01 -8.068628805e-01 3.58 -7.649496578e-01 -7.649496578e-01 3.60 -7.235550272e-01 -7.235550272e-01 3.62 -6.827965376e-01 -6.827965376e-01 3.64 -6.427890519e-01 -6.427890519e-01 3.66 -6.036450198e-01 -6.036450198e-01 3.68 -5.654789184e-01 -5.654789184e-01 3.70 -5.282457573e-01 -5.282457573e-01 3.72 -4.925321630e-01 -4.925321630e-01 3.74 -4.590567370e-01 -4.590567370e-01 3.76 -4.264725909e-01 -4.264725909e-01 3.78 -3.939154295e-01 -3.939154295e-01 3.80 -3.619216686e-01 -3.619216686e-01 3.82 -3.322517278e-01 -3.322517278e-01 3.84 -3.060204838e-01 -3.060204838e-01 3.86 -2.836178331e-01 -2.836178331e-01 3.88 -2.648855434e-01 -2.648855434e-01 3.90 -2.493809616e-01 -2.493809616e-01 3.92 -2.367902775e-01 -2.367902775e-01 3.94 -2.266753551e-01 -2.266753551e-01 3.96 -2.185582921e-01 -2.185582921e-01 3.98 -2.119741925e-01 -2.119741925e-01 4.00 -2.065007766e-01 -2.065007766e-01 4.02 -2.018613616e-01 -2.018613616e-01 4.04 -1.978364507e-01 -1.978364507e-01 4.06 -1.942397422e-01 -1.942397422e-01 4.08 -1.909132762e-01 -1.909132762e-01 4.10 -1.877208799e-01 -1.877208799e-01 4.12 -1.845436569e-01 -1.845436569e-01 4.14 -1.812736481e-01 -1.812736481e-01 4.16 -1.778226874e-01 -1.778226874e-01 4.18 -1.741694487e-01 -1.741694487e-01 4.20 -1.703198166e-01 -1.703198166e-01 4.22 -1.662838470e-01 -1.662838470e-01 4.24 -1.620742986e-01 -1.620742986e-01 4.26 -1.576973323e-01 -1.576973323e-01 4.28 -1.531222920e-01 -1.531222920e-01 4.30 -1.483878817e-01 -1.483878817e-01 4.32 -1.435562412e-01 -1.435562412e-01 4.34 -1.386760890e-01 -1.386760890e-01 4.36 -1.337844690e-01 -1.337844690e-01 4.38 -1.289081190e-01 -1.289081190e-01 4.40 -1.240644947e-01 -1.240644947e-01 4.42 -1.192624819e-01 -1.192624819e-01 4.44 -1.145088841e-01 -1.145088841e-01 4.46 -1.098160499e-01 -1.098160499e-01 4.48 -1.051400568e-01 -1.051400568e-01 4.50 -1.004306663e-01 -1.004306663e-01 4.52 -9.563749113e-02 -9.563749113e-02 4.54 -9.070852295e-02 -9.070852295e-02 4.56 -8.559721218e-02 -8.559721218e-02 4.58 -8.027267598e-02 -8.027267598e-02 4.60 -7.473556331e-02 -7.473556331e-02 4.62 -6.903980126e-02 -6.903980126e-02 4.64 -6.331348236e-02 -6.331348236e-02 4.66 -5.776327337e-02 -5.776327337e-02 4.68 -5.264333048e-02 -5.264333048e-02 4.70 -4.818529630e-02 -4.818529630e-02 4.72 -4.451908826e-02 -4.451908826e-02 4.74 -4.163260471e-02 -4.163260471e-02 4.76 -3.938798967e-02 -3.938798967e-02 4.78 -3.759656199e-02 -3.759656199e-02 4.80 -3.608145719e-02 -3.608145719e-02 4.82 -3.470583791e-02 -3.470583791e-02 4.84 -3.338517144e-02 -3.338517144e-02 4.86 -3.208384038e-02 -3.208384038e-02 4.88 -3.079944554e-02 -3.079944554e-02 4.90 -2.953611460e-02 -2.953611460e-02 4.92 -2.829700592e-02 -2.829700592e-02 4.94 -2.708435342e-02 -2.708435342e-02 4.96 -2.589957621e-02 -2.589957621e-02 4.98 -2.474336621e-02 -2.474336621e-02 5.00 -2.361575518e-02 -2.361575518e-02 5.02 -2.251616215e-02 -2.251616215e-02 5.04 -2.144342178e-02 -2.144342178e-02 5.06 -2.039579397e-02 -2.039579397e-02 5.08 -1.937095507e-02 -1.937095507e-02 5.10 -1.836597134e-02 -1.836597134e-02 5.12 -1.737725670e-02 -1.737725670e-02 5.14 -1.640051946e-02 -1.640051946e-02 5.16 -1.543070824e-02 -1.543070824e-02 5.18 -1.446197653e-02 -1.446197653e-02 5.20 -1.348770212e-02 -1.348770212e-02 5.22 -1.250062294e-02 -1.250062294e-02 5.24 -1.149318923e-02 -1.149318923e-02 5.26 -1.045827912e-02 -1.045827912e-02 5.28 -9.390466213e-03 -9.390466213e-03 5.30 -8.288020150e-03 -8.288020150e-03 5.32 -7.155674406e-03 -7.155674406e-03 5.34 -6.007788727e-03 -6.007788727e-03 5.36 -4.870810345e-03 -4.870810345e-03 5.38 -3.783154604e-03 -3.783154604e-03 5.40 -2.790571797e-03 -2.790571797e-03 5.42 -1.936707961e-03 -1.936707961e-03 5.44 -1.251718801e-03 -1.251718801e-03 5.46 -7.441374782e-04 -7.441374782e-04 5.48 -4.000419802e-04 -4.000419802e-04 5.50 -1.893386211e-04 -1.893386211e-04 5.52 -7.528881499e-05 -7.528881499e-05 5.54 -2.295909212e-05 -2.295909212e-05 5.56 -4.352574423e-06 -4.352574423e-06 5.58 -2.605843129e-07 -2.605843129e-07 5.60 -1.462469633e-12 -1.482439976e-12 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00