# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = CoCr2Fe # 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 2025-07-01 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 2.454741297e+02 2.454741297e+02 1.10 2.261140501e+02 2.261140501e+02 1.12 2.080720938e+02 2.080720938e+02 1.14 1.914255033e+02 1.914255033e+02 1.16 1.762796723e+02 1.762796723e+02 1.18 1.622709348e+02 1.622709348e+02 1.20 1.497060122e+02 1.497060122e+02 1.22 1.377963588e+02 1.377963588e+02 1.24 1.267386524e+02 1.267386524e+02 1.26 1.166971829e+02 1.166971939e+02 1.28 1.073904330e+02 1.073904330e+02 1.30 9.880541037e+01 9.880541037e+01 1.32 9.076274757e+01 9.076274757e+01 1.34 8.356805665e+01 8.356805665e+01 1.36 7.668318255e+01 7.668318255e+01 1.38 7.034287663e+01 7.034287663e+01 1.40 6.446494490e+01 6.446494490e+01 1.42 5.903257457e+01 5.903257457e+01 1.44 5.423322021e+01 5.423322021e+01 1.46 4.973051628e+01 4.973051628e+01 1.48 4.539549509e+01 4.539549509e+01 1.50 4.138777738e+01 4.138777738e+01 1.52 3.776283384e+01 3.776283384e+01 1.54 3.448382133e+01 3.448382133e+01 1.56 3.129126301e+01 3.129126301e+01 1.58 2.836735370e+01 2.836735370e+01 1.60 2.563672278e+01 2.563672278e+01 1.62 2.311307118e+01 2.311307118e+01 1.64 2.078104259e+01 2.078104259e+01 1.66 1.870386589e+01 1.870386589e+01 1.68 1.678281066e+01 1.678281066e+01 1.70 1.493050637e+01 1.493050637e+01 1.72 1.322093105e+01 1.322093105e+01 1.74 1.172165160e+01 1.172165160e+01 1.76 1.025964655e+01 1.025964655e+01 1.78 8.912152566e+00 8.912152566e+00 1.80 7.670870761e+00 7.670870761e+00 1.82 6.632105111e+00 6.632105111e+00 1.84 5.571318886e+00 5.571318886e+00 1.86 4.751375164e+00 4.751375164e+00 1.88 3.841831363e+00 3.841831363e+00 1.90 3.007295158e+00 3.007295158e+00 1.92 2.242335137e+00 2.242335137e+00 1.94 1.581854418e+00 1.581854418e+00 1.96 9.378666032e-01 9.378666032e-01 1.98 3.496966345e-01 3.496966345e-01 2.00 -1.867094000e-01 -1.867094000e-01 2.02 -6.751163502e-01 -6.751163502e-01 2.04 -1.119021563e+00 -1.119021563e+00 2.06 -1.521674703e+00 -1.521674703e+00 2.08 -1.886095994e+00 -1.886095994e+00 2.10 -2.145163197e+00 -2.145163461e+00 2.12 -2.408813292e+00 -2.408813292e+00 2.14 -2.682738867e+00 -2.682738867e+00 2.16 -2.927892911e+00 -2.927892911e+00 2.18 -3.146426062e+00 -3.146426062e+00 2.20 -3.340338649e+00 -3.340338649e+00 2.22 -3.511491363e+00 -3.511491363e+00 2.24 -3.581695896e+00 -3.581695896e+00 2.26 -3.718378800e+00 -3.718378800e+00 2.28 -3.836695299e+00 -3.836695299e+00 2.30 -3.938072170e+00 -3.938072170e+00 2.32 -4.023836672e+00 -4.023836672e+00 2.34 -4.095223449e+00 -4.095223449e+00 2.36 -4.153380936e+00 -4.153380936e+00 2.38 -4.199377294e+00 -4.199377294e+00 2.40 -4.234205936e+00 -4.234205936e+00 2.42 -4.258790651e+00 -4.258790651e+00 2.44 -4.190272678e+00 -4.190272678e+00 2.46 -4.202625830e+00 -4.202625830e+00 2.48 -4.206742391e+00 -4.206742391e+00 2.50 -4.203338669e+00 -4.203338669e+00 2.52 -4.114288980e+00 -4.114288980e+00 2.54 -4.103071899e+00 -4.103071899e+00 2.56 -4.085840385e+00 -4.085840385e+00 2.58 -4.063150952e+00 -4.063150952e+00 2.60 -4.035520265e+00 -4.035520265e+00 2.62 -4.003427817e+00 -4.003427817e+00 2.64 -3.967318433e+00 -3.967318433e+00 2.66 -3.927604609e+00 -3.927604609e+00 2.68 -3.884668683e+00 -3.884668683e+00 2.70 -3.838864869e+00 -3.838864869e+00 2.72 -3.790521153e+00 -3.790521153e+00 2.74 -3.719742688e+00 -3.719742688e+00 2.76 -3.668449160e+00 -3.668449160e+00 2.78 -3.615383264e+00 -3.615383264e+00 2.80 -3.560789265e+00 -3.560789265e+00 2.82 -3.504892664e+00 -3.504892664e+00 2.84 -3.447901473e+00 -3.447901473e+00 2.86 -3.390007397e+00 -3.390007397e+00 2.88 -3.331386950e+00 -3.331386950e+00 2.90 -3.272202486e+00 -3.272202486e+00 2.92 -3.212603168e+00 -3.212603168e+00 2.94 -3.152725876e+00 -3.152725876e+00 2.96 -3.092696044e+00 -3.092696044e+00 2.98 -3.032628460e+00 -3.032628460e+00 3.00 -2.972627995e+00 -2.972627995e+00 3.02 -2.912790297e+00 -2.912790297e+00 3.04 -2.853202433e+00 -2.853202433e+00 3.06 -2.793943492e+00 -2.793943492e+00 3.08 -2.735085147e+00 -2.735085147e+00 3.10 -2.676692180e+00 -2.676692180e+00 3.12 -2.618822972e+00 -2.618822972e+00 3.14 -2.561529964e+00 -2.561529964e+00 3.16 -2.477709342e+00 -2.477709342e+00 3.18 -2.423157913e+00 -2.423157913e+00 3.20 -2.369230943e+00 -2.369230943e+00 3.22 -2.315965226e+00 -2.315965226e+00 3.24 -2.263393278e+00 -2.263393278e+00 3.26 -2.211543648e+00 -2.211543648e+00 3.28 -2.160441219e+00 -2.160441219e+00 3.30 -2.028798137e+00 -2.028798137e+00 3.32 -1.983429003e+00 -1.983429003e+00 3.34 -1.938648487e+00 -1.938648487e+00 3.36 -1.894480235e+00 -1.894480235e+00 3.38 -1.850944887e+00 -1.850944887e+00 3.40 -1.808060293e+00 -1.808060293e+00 3.42 -1.765841722e+00 -1.765841722e+00 3.44 -1.724302059e+00 -1.724302059e+00 3.46 -1.683451979e+00 -1.683451979e+00 3.48 -1.643300125e+00 -1.643300125e+00 3.50 -1.603853261e+00 -1.603853261e+00 3.52 -1.565116420e+00 -1.565116420e+00 3.54 -1.527093045e+00 -1.527093045e+00 3.56 -1.489785119e+00 -1.489785119e+00 3.58 -1.453193279e+00 -1.453193279e+00 3.60 -1.417316936e+00 -1.417316936e+00 3.62 -1.382154379e+00 -1.382154379e+00 3.64 -1.347702867e+00 -1.347702867e+00 3.66 -1.313958727e+00 -1.313958727e+00 3.68 -1.280917436e+00 -1.280917436e+00 3.70 -1.248573703e+00 -1.248573703e+00 3.72 -1.216921537e+00 -1.216921537e+00 3.74 -1.185954322e+00 -1.185954322e+00 3.76 -1.155664879e+00 -1.155664879e+00 3.78 -1.126045524e+00 -1.126045524e+00 3.80 -1.097088124e+00 -1.097088124e+00 3.82 -1.068784148e+00 -1.068784148e+00 3.84 -1.041124717e+00 -1.041124717e+00 3.86 -9.723262970e-01 -9.723262970e-01 3.88 -9.477613505e-01 -9.477613505e-01 3.90 -9.237324528e-01 -9.237324528e-01 3.92 -9.002332165e-01 -9.002332165e-01 3.94 -8.772569455e-01 -8.772569455e-01 3.96 -8.547966715e-01 -8.547966715e-01 3.98 -8.328451873e-01 -8.328451873e-01 4.00 -8.113950780e-01 -8.113950780e-01 4.02 -7.904387497e-01 -7.904387497e-01 4.04 -7.699684568e-01 -7.699684568e-01 4.06 -7.499763262e-01 -7.499763262e-01 4.08 -7.304543807e-01 -7.304543807e-01 4.10 -7.113945599e-01 -7.113945599e-01 4.12 -6.927887401e-01 -6.927887401e-01 4.14 -6.746287522e-01 -6.746287522e-01 4.16 -6.569063985e-01 -6.569063985e-01 4.18 -6.396134678e-01 -6.396134678e-01 4.20 -6.227417495e-01 -6.227417495e-01 4.22 -6.062830470e-01 -6.062830470e-01 4.24 -5.902291887e-01 -5.902291887e-01 4.26 -5.745720395e-01 -5.745720395e-01 4.28 -5.593035103e-01 -5.593035103e-01 4.30 -5.444155671e-01 -5.444155671e-01 4.32 -5.299002392e-01 -5.299002392e-01 4.34 -5.157496263e-01 -5.157496263e-01 4.36 -5.019559053e-01 -5.019559053e-01 4.38 -4.885113364e-01 -4.885113364e-01 4.40 -4.754082684e-01 -4.754082684e-01 4.42 -4.626391431e-01 -4.626391431e-01 4.44 -4.501965002e-01 -4.501965002e-01 4.46 -4.380729804e-01 -4.380729804e-01 4.48 -4.262613290e-01 -4.262613290e-01 4.50 -4.147543985e-01 -4.147543985e-01 4.52 -4.035451513e-01 -4.035451513e-01 4.54 -3.926266615e-01 -3.926266615e-01 4.56 -3.819921166e-01 -3.819921166e-01 4.58 -3.716348193e-01 -3.716348193e-01 4.60 -3.615481878e-01 -3.615481878e-01 4.62 -3.517257573e-01 -3.517257573e-01 4.64 -3.421611802e-01 -3.421611802e-01 4.66 -3.328482268e-01 -3.328482268e-01 4.68 -3.237807848e-01 -3.237807848e-01 4.70 -3.149528598e-01 -3.149528598e-01 4.72 -3.063585749e-01 -3.063585749e-01 4.74 -2.979921698e-01 -2.979921698e-01 4.76 -2.898480012e-01 -2.898480012e-01 4.78 -2.819205409e-01 -2.819205409e-01 4.80 -2.742043761e-01 -2.742043761e-01 4.82 -2.666942077e-01 -2.666942077e-01 4.84 -2.593848494e-01 -2.593848494e-01 4.86 -2.522712267e-01 -2.522712267e-01 4.88 -2.453483759e-01 -2.453483759e-01 4.90 -2.386114420e-01 -2.386114420e-01 4.92 -2.320556783e-01 -2.320556783e-01 4.94 -2.256764445e-01 -2.256764445e-01 4.96 -2.194692050e-01 -2.194692050e-01 4.98 -2.134295279e-01 -2.134295279e-01 5.00 -2.075530832e-01 -2.075530832e-01 5.02 -2.018356412e-01 -2.018356412e-01 5.04 -1.962730708e-01 -1.962730708e-01 5.06 -1.908613381e-01 -1.908613381e-01 5.08 -1.855965046e-01 -1.855965046e-01 5.10 -1.804747256e-01 -1.804747256e-01 5.12 -1.754922484e-01 -1.754922484e-01 5.14 -1.706454106e-01 -1.706454106e-01 5.16 -1.659306388e-01 -1.659306388e-01 5.18 -1.613444464e-01 -1.613444464e-01 5.20 -1.568834321e-01 -1.568834321e-01 5.22 -1.525442784e-01 -1.525442784e-01 5.24 -1.483237497e-01 -1.483237497e-01 5.26 -1.442186907e-01 -1.442186907e-01 5.28 -1.402260247e-01 -1.402260247e-01 5.30 -1.363427521e-01 -1.363427521e-01 5.32 -1.325659487e-01 -1.325659487e-01 5.34 -1.288927639e-01 -1.288927639e-01 5.36 -1.253204195e-01 -1.253204195e-01 5.38 -1.218462078e-01 -1.218462078e-01 5.40 -1.184674899e-01 -1.184674899e-01 5.42 -1.151816948e-01 -1.151816948e-01 5.44 -1.119863172e-01 -1.119863172e-01 5.46 -8.808182549e-02 -8.808182549e-02 5.48 -8.571021434e-02 -8.571021434e-02 5.50 -8.340163104e-02 -8.340163104e-02 5.52 -8.115444580e-02 -8.115444580e-02 5.54 -7.896706848e-02 -7.896706848e-02 5.56 -7.683794776e-02 -7.683794776e-02 5.58 -7.476557032e-02 -7.476557032e-02 5.60 -7.274846003e-02 -7.274846003e-02 5.62 -7.078517719e-02 -7.078517719e-02 5.64 -6.887431771e-02 -6.887431771e-02 5.66 -6.701451235e-02 -6.701451235e-02 5.68 -6.520442594e-02 -6.520442594e-02 5.70 -6.344275664e-02 -6.344275664e-02 5.72 -6.172823520e-02 -6.172823520e-02 5.74 -6.005962424e-02 -6.005962424e-02 5.76 -5.843571747e-02 -5.843571747e-02 5.78 -5.685533908e-02 -5.685533908e-02 5.80 -5.531734294e-02 -5.531734294e-02 5.82 -5.382061199e-02 -5.382061199e-02 5.84 -5.236405754e-02 -5.236405754e-02 5.86 -5.094661860e-02 -5.094661860e-02 5.88 -4.956726126e-02 -4.956726126e-02 5.90 -4.822497802e-02 -4.822497802e-02 5.92 -4.691878717e-02 -4.691878717e-02 5.94 -4.564773222e-02 -4.564773222e-02 5.96 -4.441088123e-02 -4.441088123e-02 5.98 -4.320732627e-02 -4.320732627e-02 6.00 -4.203618283e-02 -4.203618283e-02