# 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 = AlCr2Ni # 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 2.499824594e+02 2.499824594e+02 1.10 2.307681261e+02 2.307681261e+02 1.12 2.127728715e+02 2.127728715e+02 1.14 1.961258113e+02 1.961258113e+02 1.16 1.810055879e+02 1.810055879e+02 1.18 1.669924839e+02 1.669924839e+02 1.20 1.545003420e+02 1.545003420e+02 1.22 1.425532249e+02 1.425532249e+02 1.24 1.314186543e+02 1.314186543e+02 1.26 1.213393152e+02 1.213392523e+02 1.28 1.119694338e+02 1.119694338e+02 1.30 1.033261061e+02 1.033261061e+02 1.32 9.517679733e+01 9.517679733e+01 1.34 8.794527916e+01 8.794527916e+01 1.36 8.094262893e+01 8.094262893e+01 1.38 7.449072594e+01 7.449072594e+01 1.40 6.849339140e+01 6.849339140e+01 1.42 6.294163866e+01 6.294163866e+01 1.44 5.808329766e+01 5.808329766e+01 1.46 5.351512972e+01 5.351512972e+01 1.48 4.905255199e+01 4.905255199e+01 1.50 4.491910153e+01 4.491910153e+01 1.52 4.119726927e+01 4.119726927e+01 1.54 3.783591188e+01 3.783591188e+01 1.56 3.451813081e+01 3.451813081e+01 1.58 3.148139420e+01 3.148139420e+01 1.60 2.863034241e+01 2.863034241e+01 1.62 2.598914482e+01 2.598914482e+01 1.64 2.354246748e+01 2.354246748e+01 1.66 2.137960242e+01 2.137960242e+01 1.68 1.936823814e+01 1.936823814e+01 1.70 1.740647682e+01 1.740647682e+01 1.72 1.559062740e+01 1.559062740e+01 1.74 1.401623552e+01 1.401623552e+01 1.76 1.245227481e+01 1.245227481e+01 1.78 1.100603055e+01 1.100603055e+01 1.80 9.669155357e+00 9.669155357e+00 1.82 8.572378789e+00 8.572378789e+00 1.84 7.419656877e+00 7.419656877e+00 1.86 6.552464275e+00 6.552464275e+00 1.88 5.554279103e+00 5.554279103e+00 1.90 4.634333778e+00 4.634333778e+00 1.92 3.787114605e+00 3.787114605e+00 1.94 3.061691634e+00 3.061691634e+00 1.96 2.340608193e+00 2.340608193e+00 1.98 1.678298160e+00 1.678298160e+00 2.00 1.070624193e+00 1.070624193e+00 2.02 5.137387966e-01 5.137387966e-01 2.04 4.062889994e-03 4.062889994e-03 2.06 -4.617339028e-01 -4.617339028e-01 2.08 -8.867513946e-01 -8.867513946e-01 2.10 -1.185523962e+00 -1.185522453e+00 2.12 -1.495858516e+00 -1.495858516e+00 2.14 -1.824939805e+00 -1.824939805e+00 2.16 -2.122904065e+00 -2.122904065e+00 2.18 -2.391980424e+00 -2.391980424e+00 2.20 -2.634246017e+00 -2.634246017e+00 2.22 -2.851636620e+00 -2.851636620e+00 2.24 -2.937529498e+00 -2.937529498e+00 2.26 -3.117986349e+00 -3.117986349e+00 2.28 -3.278098892e+00 -3.278098892e+00 2.30 -3.419365182e+00 -3.419365182e+00 2.32 -3.543181925e+00 -3.543181925e+00 2.34 -3.650851379e+00 -3.650851379e+00 2.36 -3.743587757e+00 -3.743587757e+00 2.38 -3.822523178e+00 -3.822523178e+00 2.40 -3.888713197e+00 -3.888713197e+00 2.42 -3.943141943e+00 -3.943141943e+00 2.44 -3.875289461e+00 -3.875289461e+00 2.46 -3.916137035e+00 -3.916137035e+00 2.48 -3.947322878e+00 -3.947322878e+00 2.50 -3.969620317e+00 -3.969620317e+00 2.52 -3.883944768e+00 -3.883944768e+00 2.54 -3.896974992e+00 -3.896974992e+00 2.56 -3.902726844e+00 -3.902726844e+00 2.58 -3.901809301e+00 -3.901809301e+00 2.60 -3.894789723e+00 -3.894789723e+00 2.62 -3.882196573e+00 -3.882196573e+00 2.64 -3.864521955e+00 -3.864521955e+00 2.66 -3.842223985e+00 -3.842223985e+00 2.68 -3.815729009e+00 -3.815729009e+00 2.70 -3.785433672e+00 -3.785433672e+00 2.72 -3.751706855e+00 -3.751706855e+00 2.74 -3.687510404e+00 -3.687510404e+00 2.76 -3.649487097e+00 -3.649487097e+00 2.78 -3.608900610e+00 -3.608900610e+00 2.80 -3.566030802e+00 -3.566030802e+00 2.82 -3.521137426e+00 -3.521137426e+00 2.84 -3.474461440e+00 -3.474461440e+00 2.86 -3.426226235e+00 -3.426226235e+00 2.88 -3.376638782e+00 -3.376638782e+00 2.90 -3.325890704e+00 -3.325890704e+00 2.92 -3.274159280e+00 -3.274159280e+00 2.94 -3.221608392e+00 -3.221608392e+00 2.96 -3.168389399e+00 -3.168389399e+00 2.98 -3.114641969e+00 -3.114641969e+00 3.00 -3.060494843e+00 -3.060494843e+00 3.02 -3.006066566e+00 -3.006066566e+00 3.04 -2.951466162e+00 -2.951466162e+00 3.06 -2.896793765e+00 -2.896793765e+00 3.08 -2.842141217e+00 -2.842141217e+00 3.10 -2.787592624e+00 -2.787592624e+00 3.12 -2.733224873e+00 -2.733224873e+00 3.14 -2.679108126e+00 -2.679108126e+00 3.16 -2.589113357e+00 -2.589113357e+00 3.18 -2.537522494e+00 -2.537522494e+00 3.20 -2.486264094e+00 -2.486264094e+00 3.22 -2.435390368e+00 -2.435390368e+00 3.24 -2.384948582e+00 -2.384948582e+00 3.26 -2.334981396e+00 -2.334981396e+00 3.28 -2.285527182e+00 -2.285527182e+00 3.30 -2.133770040e+00 -2.133770040e+00 3.32 -2.090495195e+00 -2.090495195e+00 3.34 -2.047578205e+00 -2.047578205e+00 3.36 -2.005055093e+00 -2.005055093e+00 3.38 -1.962958336e+00 -1.962958336e+00 3.40 -1.921317108e+00 -1.921317108e+00 3.42 -1.880157504e+00 -1.880157504e+00 3.44 -1.839502756e+00 -1.839502756e+00 3.46 -1.799373429e+00 -1.799373429e+00 3.48 -1.759787608e+00 -1.759787608e+00 3.50 -1.720761074e+00 -1.720761074e+00 3.52 -1.682307472e+00 -1.682307472e+00 3.54 -1.644438457e+00 -1.644438457e+00 3.56 -1.607163849e+00 -1.607163849e+00 3.58 -1.570491760e+00 -1.570491760e+00 3.60 -1.534428724e+00 -1.534428724e+00 3.62 -1.498979817e+00 -1.498979817e+00 3.64 -1.464148768e+00 -1.464148768e+00 3.66 -1.429938063e+00 -1.429938063e+00 3.68 -1.396349043e+00 -1.396349043e+00 3.70 -1.363381995e+00 -1.363381995e+00 3.72 -1.331036238e+00 -1.331036238e+00 3.74 -1.299310202e+00 -1.299310202e+00 3.76 -1.268201507e+00 -1.268201507e+00 3.78 -1.237707026e+00 -1.237707026e+00 3.80 -1.207822956e+00 -1.207822956e+00 3.82 -1.178544879e+00 -1.178544879e+00 3.84 -1.149867815e+00 -1.149867815e+00 3.86 -1.065297743e+00 -1.065297743e+00 3.88 -1.040104037e+00 -1.040104037e+00 3.90 -1.015399915e+00 -1.015399915e+00 3.92 -9.911824557e-01 -9.911824557e-01 3.94 -9.674482587e-01 -9.674482587e-01 3.96 -9.441934876e-01 -9.441934876e-01 3.98 -9.214139109e-01 -9.214139109e-01 4.00 -8.991049397e-01 -8.991049397e-01 4.02 -8.772616626e-01 -8.772616626e-01 4.04 -8.558788788e-01 -8.558788788e-01 4.06 -8.349511288e-01 -8.349511288e-01 4.08 -8.144727229e-01 -8.144727229e-01 4.10 -7.944377679e-01 -7.944377679e-01 4.12 -7.748401922e-01 -7.748401922e-01 4.14 -7.556737685e-01 -7.556737685e-01 4.16 -7.369321355e-01 -7.369321355e-01 4.18 -7.186088180e-01 -7.186088180e-01 4.20 -7.006972453e-01 -7.006972453e-01 4.22 -6.831907683e-01 -6.831907683e-01 4.24 -6.660826759e-01 -6.660826759e-01 4.26 -6.493662094e-01 -6.493662094e-01 4.28 -6.330345761e-01 -6.330345761e-01 4.30 -6.170809623e-01 -6.170809623e-01 4.32 -6.014985446e-01 -6.014985446e-01 4.34 -5.862805010e-01 -5.862805010e-01 4.36 -5.714200203e-01 -5.714200203e-01 4.38 -5.569103115e-01 -5.569103115e-01 4.40 -5.427446123e-01 -5.427446123e-01 4.42 -5.289161963e-01 -5.289161963e-01 4.44 -5.154183799e-01 -5.154183799e-01 4.46 -5.022445294e-01 -5.022445294e-01 4.48 -4.893880658e-01 -4.893880658e-01 4.50 -4.768424708e-01 -4.768424708e-01 4.52 -4.646012908e-01 -4.646012908e-01 4.54 -4.526581420e-01 -4.526581420e-01 4.56 -4.410067133e-01 -4.410067133e-01 4.58 -4.296407705e-01 -4.296407705e-01 4.60 -4.185541587e-01 -4.185541587e-01 4.62 -4.077408054e-01 -4.077408054e-01 4.64 -3.971947226e-01 -3.971947226e-01 4.66 -3.869100086e-01 -3.869100086e-01 4.68 -3.768808505e-01 -3.768808505e-01 4.70 -3.671015246e-01 -3.671015246e-01 4.72 -3.575663986e-01 -3.575663986e-01 4.74 -3.482699320e-01 -3.482699320e-01 4.76 -3.392066769e-01 -3.392066769e-01 4.78 -3.303712790e-01 -3.303712790e-01 4.80 -3.217584774e-01 -3.217584774e-01 4.82 -3.133631052e-01 -3.133631052e-01 4.84 -3.051800897e-01 -3.051800897e-01 4.86 -2.972044519e-01 -2.972044519e-01 4.88 -2.894313065e-01 -2.894313065e-01 4.90 -2.818558618e-01 -2.818558618e-01 4.92 -2.744734190e-01 -2.744734190e-01 4.94 -2.672793715e-01 -2.672793715e-01 4.96 -2.602692047e-01 -2.602692047e-01 4.98 -2.534384951e-01 -2.534384951e-01 5.00 -2.467829094e-01 -2.467829094e-01 5.02 -2.402982037e-01 -2.402982037e-01 5.04 -2.339802227e-01 -2.339802227e-01 5.06 -2.278248986e-01 -2.278248986e-01 5.08 -2.218282502e-01 -2.218282502e-01 5.10 -2.159863814e-01 -2.159863814e-01 5.12 -2.102954810e-01 -2.102954810e-01 5.14 -2.047518204e-01 -2.047518204e-01 5.16 -1.993517533e-01 -1.993517533e-01 5.18 -1.940917141e-01 -1.940917141e-01 5.20 -1.889682170e-01 -1.889682170e-01 5.22 -1.839778542e-01 -1.839778542e-01 5.24 -1.791172952e-01 -1.791172952e-01 5.26 -1.743832851e-01 -1.743832851e-01 5.28 -1.697726438e-01 -1.697726438e-01 5.30 -1.652822642e-01 -1.652822642e-01 5.32 -1.609091113e-01 -1.609091113e-01 5.34 -1.566502205e-01 -1.566502205e-01 5.36 -1.525026969e-01 -1.525026969e-01 5.38 -1.484637133e-01 -1.484637133e-01 5.40 -1.445305095e-01 -1.445305095e-01 5.42 -1.407003908e-01 -1.407003908e-01 5.44 -1.369707264e-01 -1.369707264e-01 5.46 -1.056464790e-01 -1.056464790e-01 5.48 -1.029308934e-01 -1.029308934e-01 5.50 -1.002839902e-01 -1.002839902e-01 5.52 -9.770409307e-02 -9.770409307e-02 5.54 -9.518956369e-02 -9.518956369e-02 5.56 -9.273880045e-02 -9.273880045e-02 5.58 -9.035023805e-02 -9.035023805e-02 5.60 -8.802234682e-02 -8.802234682e-02 5.62 -8.575363204e-02 -8.575363204e-02 5.64 -8.354263329e-02 -8.354263329e-02 5.66 -8.138792383e-02 -8.138792383e-02 5.68 -7.928810993e-02 -7.928810993e-02 5.70 -7.724183023e-02 -7.724183023e-02 5.72 -7.524775514e-02 -7.524775514e-02 5.74 -7.330458614e-02 -7.330458614e-02 5.76 -7.141105524e-02 -7.141105524e-02 5.78 -6.956592431e-02 -6.956592431e-02 5.80 -6.776798448e-02 -6.776798448e-02 5.82 -6.601605553e-02 -6.601605553e-02 5.84 -6.430898535e-02 -6.430898535e-02 5.86 -6.264564925e-02 -6.264564925e-02 5.88 -6.102494947e-02 -6.102494947e-02 5.90 -5.944581457e-02 -5.944581457e-02 5.92 -5.790719888e-02 -5.790719888e-02 5.94 -5.640808192e-02 -5.640808192e-02 5.96 -5.494746786e-02 -5.494746786e-02 5.98 -5.352438501e-02 -5.352438501e-02 6.00 -5.213788526e-02 -5.213788526e-02