# 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 = AlFe2Mn # 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 2.139333693e+02 2.139333693e+02 1.10 1.976654568e+02 1.976654568e+02 1.12 1.823538951e+02 1.823538951e+02 1.14 1.681624358e+02 1.681624358e+02 1.16 1.553130470e+02 1.553130470e+02 1.18 1.433756937e+02 1.433756937e+02 1.20 1.328083557e+02 1.328083557e+02 1.22 1.226156999e+02 1.226156999e+02 1.24 1.130888787e+02 1.130888787e+02 1.26 1.044953271e+02 1.044952389e+02 1.28 9.650053809e+01 9.650053809e+01 1.30 8.912125150e+01 8.912125150e+01 1.32 8.212759556e+01 8.212759556e+01 1.34 7.596697013e+01 7.596697013e+01 1.36 6.994681703e+01 6.994681703e+01 1.38 6.440265873e+01 6.440265873e+01 1.40 5.924121302e+01 5.924121302e+01 1.42 5.446073588e+01 5.446073588e+01 1.44 5.033880434e+01 5.033880434e+01 1.46 4.643884519e+01 4.643884519e+01 1.48 4.257991546e+01 4.257991546e+01 1.50 3.900357167e+01 3.900357167e+01 1.52 3.579414654e+01 3.579414654e+01 1.54 3.292450944e+01 3.292450944e+01 1.56 3.004373649e+01 3.004373649e+01 1.58 2.741233083e+01 2.741233083e+01 1.60 2.493304072e+01 2.493304072e+01 1.62 2.263471270e+01 2.263471270e+01 1.64 2.050419022e+01 2.050419022e+01 1.66 1.863112926e+01 1.863112926e+01 1.68 1.689699898e+01 1.689699898e+01 1.70 1.518238837e+01 1.518238837e+01 1.72 1.359410812e+01 1.359410812e+01 1.74 1.223543814e+01 1.223543814e+01 1.76 1.086375335e+01 1.086375335e+01 1.78 9.594283719e+00 9.594283719e+00 1.80 8.419836478e+00 8.419836478e+00 1.82 7.469910946e+00 7.469910946e+00 1.84 6.454365604e+00 6.454365604e+00 1.86 5.729819370e+00 5.729819370e+00 1.88 4.845913946e+00 4.845913946e+00 1.90 4.030509018e+00 4.030509018e+00 1.92 3.278823317e+00 3.278823317e+00 1.94 2.643791664e+00 2.643791664e+00 1.96 2.002029953e+00 2.002029953e+00 1.98 1.411931904e+00 1.411931904e+00 2.00 8.699000266e-01 8.699000266e-01 2.02 3.725872267e-01 3.725872267e-01 2.04 -8.312166583e-02 -8.312166583e-02 2.06 -5.001268875e-01 -5.001268875e-01 2.08 -8.811293791e-01 -8.811293791e-01 2.10 -1.132912052e+00 -1.132909933e+00 2.12 -1.403890126e+00 -1.403890126e+00 2.14 -1.701710113e+00 -1.701710113e+00 2.16 -1.971846112e+00 -1.971846112e+00 2.18 -2.216253001e+00 -2.216253001e+00 2.20 -2.436753692e+00 -2.436753692e+00 2.22 -2.635048326e+00 -2.635048326e+00 2.24 -2.697921076e+00 -2.697921076e+00 2.26 -2.864298874e+00 -2.864298874e+00 2.28 -3.012381162e+00 -3.012381162e+00 2.30 -3.143492181e+00 -3.143492181e+00 2.32 -3.258867699e+00 -3.258867699e+00 2.34 -3.359660983e+00 -3.359660983e+00 2.36 -3.446948347e+00 -3.446948347e+00 2.38 -3.521734312e+00 -3.521734312e+00 2.40 -3.584956394e+00 -3.584956394e+00 2.42 -3.637489568e+00 -3.637489568e+00 2.44 -3.570569800e+00 -3.570569800e+00 2.46 -3.611177487e+00 -3.611177487e+00 2.48 -3.642933822e+00 -3.642933822e+00 2.50 -3.666530979e+00 -3.666530979e+00 2.52 -3.574290066e+00 -3.574290066e+00 2.54 -3.590202201e+00 -3.590202201e+00 2.56 -3.599348674e+00 -3.599348674e+00 2.58 -3.602279556e+00 -3.602279556e+00 2.60 -3.599508033e+00 -3.599508033e+00 2.62 -3.591512785e+00 -3.591512785e+00 2.64 -3.578740207e+00 -3.578740207e+00 2.66 -3.561606481e+00 -3.561606481e+00 2.68 -3.540499518e+00 -3.540499518e+00 2.70 -3.515780776e+00 -3.515780776e+00 2.72 -3.487786950e+00 -3.487786950e+00 2.74 -3.427845448e+00 -3.427845448e+00 2.76 -3.395847831e+00 -3.395847831e+00 2.78 -3.361360830e+00 -3.361360830e+00 2.80 -3.324642072e+00 -3.324642072e+00 2.82 -3.285931137e+00 -3.285931137e+00 2.84 -3.245450708e+00 -3.245450708e+00 2.86 -3.203407658e+00 -3.203407658e+00 2.88 -3.159994061e+00 -3.159994061e+00 2.90 -3.115388142e+00 -3.115388142e+00 2.92 -3.069755166e+00 -3.069755166e+00 2.94 -3.023248275e+00 -3.023248275e+00 2.96 -2.976009267e+00 -2.976009267e+00 2.98 -2.928169325e+00 -2.928169325e+00 3.00 -2.879849713e+00 -2.879849713e+00 3.02 -2.831162408e+00 -2.831162408e+00 3.04 -2.782210713e+00 -2.782210713e+00 3.06 -2.733089816e+00 -2.733089816e+00 3.08 -2.683887323e+00 -2.683887323e+00 3.10 -2.634683756e+00 -2.634683756e+00 3.12 -2.585553014e+00 -2.585553014e+00 3.14 -2.536562818e+00 -2.536562818e+00 3.16 -2.452175404e+00 -2.452175404e+00 3.18 -2.405436058e+00 -2.405436058e+00 3.20 -2.358917814e+00 -2.358917814e+00 3.22 -2.312671936e+00 -2.312671936e+00 3.24 -2.266745097e+00 -2.266745097e+00 3.26 -2.221179691e+00 -2.221179691e+00 3.28 -2.176014115e+00 -2.176014115e+00 3.30 -2.019755029e+00 -2.019755029e+00 3.32 -1.980808093e+00 -1.980808093e+00 3.34 -1.942102416e+00 -1.942102416e+00 3.36 -1.903674808e+00 -1.903674808e+00 3.38 -1.865558733e+00 -1.865558733e+00 3.40 -1.827784529e+00 -1.827784529e+00 3.42 -1.790379617e+00 -1.790379617e+00 3.44 -1.753368690e+00 -1.753368690e+00 3.46 -1.716773899e+00 -1.716773899e+00 3.48 -1.680615021e+00 -1.680615021e+00 3.50 -1.644909625e+00 -1.644909625e+00 3.52 -1.609673219e+00 -1.609673219e+00 3.54 -1.574919396e+00 -1.574919396e+00 3.56 -1.540659963e+00 -1.540659963e+00 3.58 -1.506905069e+00 -1.506905069e+00 3.60 -1.473663326e+00 -1.473663326e+00 3.62 -1.440941913e+00 -1.440941913e+00 3.64 -1.408746683e+00 -1.408746683e+00 3.66 -1.377082264e+00 -1.377082264e+00 3.68 -1.345952143e+00 -1.345952143e+00 3.70 -1.315358758e+00 -1.315358758e+00 3.72 -1.285303574e+00 -1.285303574e+00 3.74 -1.255787164e+00 -1.255787164e+00 3.76 -1.226809272e+00 -1.226809272e+00 3.78 -1.198368887e+00 -1.198368887e+00 3.80 -1.170464297e+00 -1.170464297e+00 3.82 -1.143093154e+00 -1.143093154e+00 3.84 -1.116252526e+00 -1.116252526e+00 3.86 -1.030169520e+00 -1.030169520e+00 3.88 -1.006771790e+00 -1.006771790e+00 3.90 -9.837971717e-01 -9.837971717e-01 3.92 -9.612446548e-01 -9.612446548e-01 3.94 -9.391127219e-01 -9.391127219e-01 3.96 -9.173993895e-01 -9.173993895e-01 3.98 -8.961022473e-01 -8.961022473e-01 4.00 -8.752184944e-01 -8.752184944e-01 4.02 -8.547449737e-01 -8.547449737e-01 4.04 -8.346782041e-01 -8.346782041e-01 4.06 -8.150144105e-01 -8.150144105e-01 4.08 -7.957495517e-01 -7.957495517e-01 4.10 -7.768793469e-01 -7.768793469e-01 4.12 -7.583993001e-01 -7.583993001e-01 4.14 -7.403047234e-01 -7.403047234e-01 4.16 -7.225907579e-01 -7.225907579e-01 4.18 -7.052523943e-01 -7.052523943e-01 4.20 -6.882844912e-01 -6.882844912e-01 4.22 -6.716817925e-01 -6.716817925e-01 4.24 -6.554389438e-01 -6.554389438e-01 4.26 -6.395505074e-01 -6.395505074e-01 4.28 -6.240109762e-01 -6.240109762e-01 4.30 -6.088147868e-01 -6.088147868e-01 4.32 -5.939563317e-01 -5.939563317e-01 4.34 -5.794299706e-01 -5.794299706e-01 4.36 -5.652300403e-01 -5.652300403e-01 4.38 -5.513508648e-01 -5.513508648e-01 4.40 -5.377867642e-01 -5.377867642e-01 4.42 -5.245320624e-01 -5.245320624e-01 4.44 -5.115810953e-01 -5.115810953e-01 4.46 -4.989282173e-01 -4.989282173e-01 4.48 -4.865678078e-01 -4.865678078e-01 4.50 -4.744942770e-01 -4.744942770e-01 4.52 -4.627020716e-01 -4.627020716e-01 4.54 -4.511856793e-01 -4.511856793e-01 4.56 -4.399396334e-01 -4.399396334e-01 4.58 -4.289585167e-01 -4.289585167e-01 4.60 -4.182369656e-01 -4.182369656e-01 4.62 -4.077696727e-01 -4.077696727e-01 4.64 -3.975513906e-01 -3.975513906e-01 4.66 -3.875769338e-01 -3.875769338e-01 4.68 -3.778411816e-01 -3.778411816e-01 4.70 -3.683390798e-01 -3.683390798e-01 4.72 -3.590656428e-01 -3.590656428e-01 4.74 -3.500159551e-01 -3.500159551e-01 4.76 -3.411851727e-01 -3.411851727e-01 4.78 -3.325685243e-01 -3.325685243e-01 4.80 -3.241613121e-01 -3.241613121e-01 4.82 -3.159589128e-01 -3.159589128e-01 4.84 -3.079567783e-01 -3.079567783e-01 4.86 -3.001504357e-01 -3.001504357e-01 4.88 -2.925354885e-01 -2.925354885e-01 4.90 -2.851076158e-01 -2.851076158e-01 4.92 -2.778625731e-01 -2.778625731e-01 4.94 -2.707961921e-01 -2.707961921e-01 4.96 -2.639043805e-01 -2.639043805e-01 4.98 -2.571831217e-01 -2.571831217e-01 5.00 -2.506284746e-01 -2.506284746e-01 5.02 -2.442365734e-01 -2.442365734e-01 5.04 -2.380036266e-01 -2.380036266e-01 5.06 -2.319259171e-01 -2.319259171e-01 5.08 -2.259998010e-01 -2.259998010e-01 5.10 -2.202217074e-01 -2.202217074e-01 5.12 -2.145881376e-01 -2.145881376e-01 5.14 -2.090956642e-01 -2.090956642e-01 5.16 -2.037409304e-01 -2.037409304e-01 5.18 -1.985206492e-01 -1.985206492e-01 5.20 -1.934316025e-01 -1.934316025e-01 5.22 -1.884706403e-01 -1.884706403e-01 5.24 -1.836346797e-01 -1.836346797e-01 5.26 -1.789207038e-01 -1.789207038e-01 5.28 -1.743257612e-01 -1.743257612e-01 5.30 -1.698469646e-01 -1.698469646e-01 5.32 -1.654814900e-01 -1.654814900e-01 5.34 -1.612265758e-01 -1.612265758e-01 5.36 -1.570795215e-01 -1.570795215e-01 5.38 -1.530376869e-01 -1.530376869e-01 5.40 -1.490984911e-01 -1.490984911e-01 5.42 -1.452594114e-01 -1.452594114e-01 5.44 -1.415179824e-01 -1.415179824e-01 5.46 -1.106390044e-01 -1.106390044e-01 5.48 -1.078844306e-01 -1.078844306e-01 5.50 -1.051971462e-01 -1.051971462e-01 5.52 -1.025755760e-01 -1.025755760e-01 5.54 -1.000181780e-01 -1.000181780e-01 5.56 -9.752344289e-02 -9.752344289e-02 5.58 -9.508989351e-02 -9.508989351e-02 5.60 -9.271608456e-02 -9.271608456e-02 5.62 -9.040060189e-02 -9.040060189e-02 5.64 -8.814206207e-02 -8.814206207e-02 5.66 -8.593911183e-02 -8.593911183e-02 5.68 -8.379042759e-02 -8.379042759e-02 5.70 -8.169471490e-02 -8.169471490e-02 5.72 -7.965070798e-02 -7.965070798e-02 5.74 -7.765716915e-02 -7.765716915e-02 5.76 -7.571288834e-02 -7.571288834e-02 5.78 -7.381668262e-02 -7.381668262e-02 5.80 -7.196739563e-02 -7.196739563e-02 5.82 -7.016389713e-02 -7.016389713e-02 5.84 -6.840508247e-02 -6.840508247e-02 5.86 -6.668987214e-02 -6.668987214e-02 5.88 -6.501721122e-02 -6.501721122e-02 5.90 -6.338606895e-02 -6.338606895e-02 5.92 -6.179543822e-02 -6.179543822e-02 5.94 -6.024433512e-02 -6.024433512e-02 5.96 -5.873179844e-02 -5.873179844e-02 5.98 -5.725688925e-02 -5.725688925e-02 6.00 -5.581869041e-02 -5.581869041e-02