# 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 = AlFeMn2 # 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 2.087336951e+02 2.087336951e+02 1.10 1.928812894e+02 1.928812894e+02 1.12 1.779903332e+02 1.779903332e+02 1.14 1.641925891e+02 1.641925891e+02 1.16 1.516766849e+02 1.516766849e+02 1.18 1.400645312e+02 1.400645312e+02 1.20 1.297535142e+02 1.297535142e+02 1.22 1.198391649e+02 1.198391649e+02 1.24 1.105771718e+02 1.105771718e+02 1.26 1.022110496e+02 1.022110001e+02 1.28 9.442163455e+01 9.442163455e+01 1.30 8.723884998e+01 8.723884998e+01 1.32 8.043883893e+01 8.043883893e+01 1.34 7.443592529e+01 7.443592529e+01 1.36 6.858190628e+01 6.858190628e+01 1.38 6.318843218e+01 6.318843218e+01 1.40 5.816774183e+01 5.816774183e+01 1.42 5.351676761e+01 5.351676761e+01 1.44 4.947361958e+01 4.947361958e+01 1.46 4.566918923e+01 4.566918923e+01 1.48 4.191667680e+01 4.191667680e+01 1.50 3.843817196e+01 3.843817196e+01 1.52 3.531542699e+01 3.531542699e+01 1.54 3.250080614e+01 3.250080614e+01 1.56 2.969896723e+01 2.969896723e+01 1.58 2.713706126e+01 2.713706126e+01 1.60 2.472457640e+01 2.472457640e+01 1.62 2.248753058e+01 2.248753058e+01 1.64 2.041319184e+01 2.041319184e+01 1.66 1.858849878e+01 1.858849878e+01 1.68 1.688800438e+01 1.688800438e+01 1.70 1.521800726e+01 1.521800726e+01 1.72 1.367048289e+01 1.367048289e+01 1.74 1.234044729e+01 1.234044729e+01 1.76 1.100340706e+01 1.100340706e+01 1.78 9.765462639e+00 9.765462639e+00 1.80 8.619654301e+00 8.619654301e+00 1.82 7.691447645e+00 7.691447645e+00 1.84 6.699871695e+00 6.699871695e+00 1.86 5.968977456e+00 5.968977456e+00 1.88 5.106682152e+00 5.106682152e+00 1.90 4.310722758e+00 4.310722758e+00 1.92 3.576479185e+00 3.576479185e+00 1.94 2.952662158e+00 2.952662158e+00 1.96 2.325119499e+00 2.325119499e+00 1.98 1.747625326e+00 1.747625326e+00 2.00 1.216703009e+00 1.216703009e+00 2.02 7.291175413e-01 7.291175413e-01 2.04 2.818577350e-01 2.818577350e-01 2.06 -1.278801444e-01 -1.278801444e-01 2.08 -5.027074492e-01 -5.027074492e-01 2.10 -7.617922670e-01 -7.617910786e-01 2.12 -1.034570945e+00 -1.034570945e+00 2.14 -1.327765558e+00 -1.327765558e+00 2.16 -1.594152762e+00 -1.594152762e+00 2.18 -1.835619935e+00 -1.835619935e+00 2.20 -2.053927184e+00 -2.053927184e+00 2.22 -2.250716201e+00 -2.250716201e+00 2.24 -2.321467130e+00 -2.321467130e+00 2.26 -2.486950874e+00 -2.486950874e+00 2.28 -2.634716167e+00 -2.634716167e+00 2.30 -2.766040561e+00 -2.766040561e+00 2.32 -2.882116343e+00 -2.882116343e+00 2.34 -2.984056288e+00 -2.984056288e+00 2.36 -3.072899001e+00 -3.072899001e+00 2.38 -3.149613885e+00 -3.149613885e+00 2.40 -3.215105758e+00 -3.215105758e+00 2.42 -3.270219143e+00 -3.270219143e+00 2.44 -3.209587441e+00 -3.209587441e+00 2.46 -3.253024237e+00 -3.253024237e+00 2.48 -3.287863318e+00 -3.287863318e+00 2.50 -3.314772330e+00 -3.314772330e+00 2.52 -3.240223763e+00 -3.240223763e+00 2.54 -3.259031227e+00 -3.259031227e+00 2.56 -3.271283804e+00 -3.271283804e+00 2.58 -3.277510721e+00 -3.277510721e+00 2.60 -3.278205752e+00 -3.278205752e+00 2.62 -3.273829501e+00 -3.273829501e+00 2.64 -3.264811538e+00 -3.264811538e+00 2.66 -3.251552389e+00 -3.251552389e+00 2.68 -3.234425408e+00 -3.234425408e+00 2.70 -3.213778515e+00 -3.213778515e+00 2.72 -3.189935832e+00 -3.189935832e+00 2.74 -3.136422707e+00 -3.136422707e+00 2.76 -3.108575168e+00 -3.108575168e+00 2.78 -3.078292030e+00 -3.078292030e+00 2.80 -3.045821214e+00 -3.045821214e+00 2.82 -3.011393300e+00 -3.011393300e+00 2.84 -2.975222640e+00 -2.975222640e+00 2.86 -2.937508394e+00 -2.937508394e+00 2.88 -2.898435507e+00 -2.898435507e+00 2.90 -2.858175620e+00 -2.858175620e+00 2.92 -2.816887923e+00 -2.816887923e+00 2.94 -2.774719960e+00 -2.774719960e+00 2.96 -2.731808379e+00 -2.731808379e+00 2.98 -2.688279631e+00 -2.688279631e+00 3.00 -2.644250636e+00 -2.644250636e+00 3.02 -2.599829397e+00 -2.599829397e+00 3.04 -2.555115579e+00 -2.555115579e+00 3.06 -2.510201057e+00 -2.510201057e+00 3.08 -2.465170420e+00 -2.465170420e+00 3.10 -2.420101450e+00 -2.420101450e+00 3.12 -2.375065571e+00 -2.375065571e+00 3.14 -2.330128267e+00 -2.330128267e+00 3.16 -2.250853578e+00 -2.250853578e+00 3.18 -2.208004440e+00 -2.208004440e+00 3.20 -2.165333483e+00 -2.165333483e+00 3.22 -2.122890300e+00 -2.122890300e+00 3.24 -2.080720083e+00 -2.080720083e+00 3.26 -2.038863912e+00 -2.038863912e+00 3.28 -1.997359038e+00 -1.997359038e+00 3.30 -1.859267653e+00 -1.859267653e+00 3.32 -1.823246103e+00 -1.823246103e+00 3.34 -1.787442046e+00 -1.787442046e+00 3.36 -1.751890537e+00 -1.751890537e+00 3.38 -1.716623446e+00 -1.716623446e+00 3.40 -1.681669664e+00 -1.681669664e+00 3.42 -1.647055304e+00 -1.647055304e+00 3.44 -1.612803881e+00 -1.612803881e+00 3.46 -1.578936495e+00 -1.578936495e+00 3.48 -1.545471986e+00 -1.545471986e+00 3.50 -1.512427092e+00 -1.512427092e+00 3.52 -1.479816593e+00 -1.479816593e+00 3.54 -1.447653447e+00 -1.447653447e+00 3.56 -1.415948916e+00 -1.415948916e+00 3.58 -1.384712687e+00 -1.384712687e+00 3.60 -1.353952984e+00 -1.353952984e+00 3.62 -1.323676672e+00 -1.323676672e+00 3.64 -1.293889361e+00 -1.293889361e+00 3.66 -1.264595490e+00 -1.264595490e+00 3.68 -1.235798423e+00 -1.235798423e+00 3.70 -1.207500525e+00 -1.207500525e+00 3.72 -1.179703241e+00 -1.179703241e+00 3.74 -1.152407166e+00 -1.152407166e+00 3.76 -1.125612114e+00 -1.125612114e+00 3.78 -1.099317181e+00 -1.099317181e+00 3.80 -1.073520801e+00 -1.073520801e+00 3.82 -1.048220806e+00 -1.048220806e+00 3.84 -1.023414472e+00 -1.023414472e+00 3.86 -9.438869489e-01 -9.438869489e-01 3.88 -9.222660736e-01 -9.222660736e-01 3.90 -9.010396496e-01 -9.010396496e-01 3.92 -8.802066869e-01 -8.802066869e-01 3.94 -8.597657197e-01 -8.597657197e-01 3.96 -8.397148450e-01 -8.397148450e-01 3.98 -8.200517599e-01 -8.200517599e-01 4.00 -8.007737958e-01 -8.007737958e-01 4.02 -7.818779511e-01 -7.818779511e-01 4.04 -7.633609213e-01 -7.633609213e-01 4.06 -7.452191274e-01 -7.452191274e-01 4.08 -7.274487421e-01 -7.274487421e-01 4.10 -7.100457151e-01 -7.100457151e-01 4.12 -6.930057958e-01 -6.930057958e-01 4.14 -6.763245554e-01 -6.763245554e-01 4.16 -6.599974066e-01 -6.599974066e-01 4.18 -6.440196226e-01 -6.440196226e-01 4.20 -6.283863548e-01 -6.283863548e-01 4.22 -6.130926490e-01 -6.130926490e-01 4.24 -5.981334607e-01 -5.981334607e-01 4.26 -5.835036693e-01 -5.835036693e-01 4.28 -5.691980911e-01 -5.691980911e-01 4.30 -5.552114915e-01 -5.552114915e-01 4.32 -5.415385965e-01 -5.415385965e-01 4.34 -5.281741034e-01 -5.281741034e-01 4.36 -5.151126898e-01 -5.151126898e-01 4.38 -5.023490235e-01 -5.023490235e-01 4.40 -4.898777701e-01 -4.898777701e-01 4.42 -4.776936008e-01 -4.776936008e-01 4.44 -4.657912000e-01 -4.657912000e-01 4.46 -4.541652708e-01 -4.541652708e-01 4.48 -4.428105419e-01 -4.428105419e-01 4.50 -4.317217724e-01 -4.317217724e-01 4.52 -4.208937571e-01 -4.208937571e-01 4.54 -4.103213310e-01 -4.103213310e-01 4.56 -3.999993732e-01 -3.999993732e-01 4.58 -3.899228109e-01 -3.899228109e-01 4.60 -3.800866227e-01 -3.800866227e-01 4.62 -3.704858418e-01 -3.704858418e-01 4.64 -3.611155583e-01 -3.611155583e-01 4.66 -3.519709220e-01 -3.519709220e-01 4.68 -3.430471447e-01 -3.430471447e-01 4.70 -3.343395015e-01 -3.343395015e-01 4.72 -3.258433331e-01 -3.258433331e-01 4.74 -3.175540470e-01 -3.175540470e-01 4.76 -3.094671185e-01 -3.094671185e-01 4.78 -3.015780924e-01 -3.015780924e-01 4.80 -2.938825831e-01 -2.938825831e-01 4.82 -2.863762757e-01 -2.863762757e-01 4.84 -2.790549266e-01 -2.790549266e-01 4.86 -2.719143638e-01 -2.719143638e-01 4.88 -2.649504872e-01 -2.649504872e-01 4.90 -2.581592685e-01 -2.581592685e-01 4.92 -2.515367518e-01 -2.515367518e-01 4.94 -2.450790530e-01 -2.450790530e-01 4.96 -2.387823597e-01 -2.387823597e-01 4.98 -2.326429315e-01 -2.326429315e-01 5.00 -2.266570989e-01 -2.266570989e-01 5.02 -2.208212633e-01 -2.208212633e-01 5.04 -2.151318965e-01 -2.151318965e-01 5.06 -2.095855403e-01 -2.095855403e-01 5.08 -2.041788055e-01 -2.041788055e-01 5.10 -1.989083715e-01 -1.989083715e-01 5.12 -1.937709858e-01 -1.937709858e-01 5.14 -1.887634630e-01 -1.887634630e-01 5.16 -1.838826839e-01 -1.838826839e-01 5.18 -1.791255953e-01 -1.791255953e-01 5.20 -1.744892084e-01 -1.744892084e-01 5.22 -1.699705986e-01 -1.699705986e-01 5.24 -1.655669041e-01 -1.655669041e-01 5.26 -1.612753253e-01 -1.612753253e-01 5.28 -1.570931240e-01 -1.570931240e-01 5.30 -1.530176220e-01 -1.530176220e-01 5.32 -1.490462007e-01 -1.490462007e-01 5.34 -1.451762996e-01 -1.451762996e-01 5.36 -1.414054159e-01 -1.414054159e-01 5.38 -1.377311031e-01 -1.377311031e-01 5.40 -1.341509703e-01 -1.341509703e-01 5.42 -1.306626810e-01 -1.306626810e-01 5.44 -1.272639523e-01 -1.272639523e-01 5.46 -9.756951900e-02 -9.756951900e-02 5.48 -9.510921743e-02 -9.510921743e-02 5.50 -9.270980786e-02 -9.270980786e-02 5.52 -9.036984407e-02 -9.036984407e-02 5.54 -8.808791095e-02 -8.808791095e-02 5.56 -8.586262400e-02 -8.586262400e-02 5.58 -8.369262883e-02 -8.369262883e-02 5.60 -8.157660068e-02 -8.157660068e-02 5.62 -7.951324392e-02 -7.951324392e-02 5.64 -7.750129156e-02 -7.750129156e-02 5.66 -7.553950472e-02 -7.553950472e-02 5.68 -7.362667217e-02 -7.362667217e-02 5.70 -7.176160983e-02 -7.176160983e-02 5.72 -6.994316026e-02 -6.994316026e-02 5.74 -6.817019217e-02 -6.817019217e-02 5.76 -6.644159994e-02 -6.644159994e-02 5.78 -6.475630314e-02 -6.475630314e-02 5.80 -6.311324604e-02 -6.311324604e-02 5.82 -6.151139713e-02 -6.151139713e-02 5.84 -5.994974864e-02 -5.994974864e-02 5.86 -5.842731610e-02 -5.842731610e-02 5.88 -5.694313784e-02 -5.694313784e-02 5.90 -5.549627454e-02 -5.549627454e-02 5.92 -5.408580882e-02 -5.408580882e-02 5.94 -5.271084470e-02 -5.271084470e-02 5.96 -5.137050726e-02 -5.137050726e-02 5.98 -5.006394212e-02 -5.006394212e-02 6.00 -4.879031507e-02 -4.879031507e-02