# 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 = AlCrNi2 # 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 2.370503965e+02 2.370503965e+02 1.10 2.189480409e+02 2.189480409e+02 1.12 2.019501032e+02 2.019501032e+02 1.14 1.862127524e+02 1.862127524e+02 1.16 1.719406098e+02 1.719406098e+02 1.18 1.586906388e+02 1.586906388e+02 1.20 1.469142498e+02 1.469142498e+02 1.22 1.356064247e+02 1.356064247e+02 1.24 1.250554078e+02 1.250554078e+02 1.26 1.155153637e+02 1.155152787e+02 1.28 1.066476740e+02 1.066476740e+02 1.30 9.845727788e+01 9.845727788e+01 1.32 9.072006203e+01 9.072006203e+01 1.34 8.386918319e+01 8.386918319e+01 1.36 7.721384236e+01 7.721384236e+01 1.38 7.108151880e+01 7.108151880e+01 1.40 6.537709964e+01 6.537709964e+01 1.42 6.009439552e+01 6.009439552e+01 1.44 5.550643669e+01 5.550643669e+01 1.46 5.116834880e+01 5.116834880e+01 1.48 4.691189442e+01 4.691189442e+01 1.50 4.296774497e+01 4.296774497e+01 1.52 3.941658836e+01 3.941658836e+01 1.54 3.623123095e+01 3.623123095e+01 1.56 3.305885767e+01 3.305885767e+01 1.58 3.015641539e+01 3.015641539e+01 1.60 2.742772069e+01 2.742772069e+01 1.62 2.489874388e+01 2.489874388e+01 1.64 2.255495515e+01 2.255495515e+01 1.66 2.048333515e+01 2.048333515e+01 1.68 1.856657611e+01 1.856657611e+01 1.70 1.668352878e+01 1.668352878e+01 1.72 1.493970905e+01 1.493970905e+01 1.74 1.343367203e+01 1.343367203e+01 1.76 1.192974328e+01 1.192974328e+01 1.78 1.053832569e+01 1.053832569e+01 1.80 9.251486038e+00 9.251486038e+00 1.82 8.196284050e+00 8.196284050e+00 1.84 7.085441203e+00 7.085441203e+00 1.86 6.272424421e+00 6.272424421e+00 1.88 5.307778775e+00 5.307778775e+00 1.90 4.418270636e+00 4.418270636e+00 1.92 3.598638390e+00 3.598638390e+00 1.94 2.899446477e+00 2.899446477e+00 1.96 2.200848032e+00 2.200848032e+00 1.98 1.558821810e+00 1.558821810e+00 2.00 9.694126712e-01 9.694126712e-01 2.02 4.289411603e-01 4.289411603e-01 2.04 -6.601683035e-02 -6.601683035e-02 2.06 -5.186487583e-01 -5.186487583e-01 2.08 -9.319226441e-01 -9.319226441e-01 2.10 -1.213136529e+00 -1.213134489e+00 2.12 -1.510705019e+00 -1.510705019e+00 2.14 -1.832272157e+00 -1.832272157e+00 2.16 -2.123672714e+00 -2.123672714e+00 2.18 -2.387050190e+00 -2.387050190e+00 2.20 -2.624402906e+00 -2.624402906e+00 2.22 -2.837594119e+00 -2.837594119e+00 2.24 -2.917409667e+00 -2.917409667e+00 2.26 -3.095039720e+00 -3.095039720e+00 2.28 -3.252847731e+00 -3.252847731e+00 2.30 -3.392280162e+00 -3.392280162e+00 2.32 -3.514686360e+00 -3.514686360e+00 2.34 -3.621325126e+00 -3.621325126e+00 2.36 -3.713370825e+00 -3.713370825e+00 2.38 -3.791919054e+00 -3.791919054e+00 2.40 -3.857991917e+00 -3.857991917e+00 2.42 -3.912542928e+00 -3.912542928e+00 2.44 -3.848282711e+00 -3.848282711e+00 2.46 -3.889461880e+00 -3.889461880e+00 2.48 -3.921153158e+00 -3.921153158e+00 2.50 -3.944107840e+00 -3.944107840e+00 2.52 -3.851097646e+00 -3.851097646e+00 2.54 -3.865453660e+00 -3.865453660e+00 2.56 -3.872607071e+00 -3.872607071e+00 2.58 -3.873152671e+00 -3.873152671e+00 2.60 -3.867644999e+00 -3.867644999e+00 2.62 -3.856600955e+00 -3.856600955e+00 2.64 -3.840502232e+00 -3.840502232e+00 2.66 -3.819797600e+00 -3.819797600e+00 2.68 -3.794905027e+00 -3.794905027e+00 2.70 -3.766213676e+00 -3.766213676e+00 2.72 -3.734085761e+00 -3.734085761e+00 2.74 -3.670840983e+00 -3.670840983e+00 2.76 -3.634418331e+00 -3.634418331e+00 2.78 -3.595410527e+00 -3.595410527e+00 2.80 -3.554093428e+00 -3.554093428e+00 2.82 -3.510723313e+00 -3.510723313e+00 2.84 -3.465538145e+00 -3.465538145e+00 2.86 -3.418758753e+00 -3.418758753e+00 2.88 -3.370589942e+00 -3.370589942e+00 2.90 -3.321221530e+00 -3.321221530e+00 2.92 -3.270829321e+00 -3.270829321e+00 2.94 -3.219576013e+00 -3.219576013e+00 2.96 -3.167612051e+00 -3.167612051e+00 2.98 -3.115076431e+00 -3.115076431e+00 3.00 -3.062097439e+00 -3.062097439e+00 3.02 -3.008793363e+00 -3.008793363e+00 3.04 -2.955273142e+00 -2.955273142e+00 3.06 -2.901636984e+00 -2.901636984e+00 3.08 -2.847976946e+00 -2.847976946e+00 3.10 -2.794377471e+00 -2.794377471e+00 3.12 -2.740915895e+00 -2.740915895e+00 3.14 -2.687662925e+00 -2.687662925e+00 3.16 -2.599551694e+00 -2.599551694e+00 3.18 -2.548694080e+00 -2.548694080e+00 3.20 -2.498130879e+00 -2.498130879e+00 3.22 -2.447915016e+00 -2.447915016e+00 3.24 -2.398094520e+00 -2.398094520e+00 3.26 -2.348712858e+00 -2.348712858e+00 3.28 -2.299809244e+00 -2.299809244e+00 3.30 -2.140245709e+00 -2.140245709e+00 3.32 -2.097785921e+00 -2.097785921e+00 3.34 -2.055639217e+00 -2.055639217e+00 3.36 -2.013842980e+00 -2.013842980e+00 3.38 -1.972431048e+00 -1.972431048e+00 3.40 -1.931433951e+00 -1.931433951e+00 3.42 -1.890879132e+00 -1.890879132e+00 3.44 -1.850791155e+00 -1.850791155e+00 3.46 -1.811191907e+00 -1.811191907e+00 3.48 -1.772100777e+00 -1.772100777e+00 3.50 -1.733534831e+00 -1.733534831e+00 3.52 -1.695508977e+00 -1.695508977e+00 3.54 -1.658036112e+00 -1.658036112e+00 3.56 -1.621127272e+00 -1.621127272e+00 3.58 -1.584791762e+00 -1.584791762e+00 3.60 -1.549037282e+00 -1.549037282e+00 3.62 -1.513870048e+00 -1.513870048e+00 3.64 -1.479294902e+00 -1.479294902e+00 3.66 -1.445315412e+00 -1.445315412e+00 3.68 -1.411933977e+00 -1.411933977e+00 3.70 -1.379151910e+00 -1.379151910e+00 3.72 -1.346969529e+00 -1.346969529e+00 3.74 -1.315386236e+00 -1.315386236e+00 3.76 -1.284400591e+00 -1.284400591e+00 3.78 -1.254010381e+00 -1.254010381e+00 3.80 -1.224212688e+00 -1.224212688e+00 3.82 -1.195003950e+00 -1.195003950e+00 3.84 -1.166380017e+00 -1.166380017e+00 3.86 -1.080543641e+00 -1.080543641e+00 3.88 -1.055415125e+00 -1.055415125e+00 3.90 -1.030761145e+00 -1.030761145e+00 3.92 -1.006579522e+00 -1.006579522e+00 3.94 -9.828675727e-01 -9.828675727e-01 3.96 -9.596221544e-01 -9.596221544e-01 3.98 -9.368397041e-01 -9.368397041e-01 4.00 -9.145162780e-01 -9.145162780e-01 4.02 -8.926475867e-01 -8.926475867e-01 4.04 -8.712290285e-01 -8.712290285e-01 4.06 -8.502557209e-01 -8.502557209e-01 4.08 -8.297225298e-01 -8.297225298e-01 4.10 -8.096240962e-01 -8.096240962e-01 4.12 -7.899548621e-01 -7.899548621e-01 4.14 -7.707090938e-01 -7.707090938e-01 4.16 -7.518809044e-01 -7.518809044e-01 4.18 -7.334642737e-01 -7.334642737e-01 4.20 -7.154530679e-01 -7.154530679e-01 4.22 -6.978410568e-01 -6.978410568e-01 4.24 -6.806219309e-01 -6.806219309e-01 4.26 -6.637893160e-01 -6.637893160e-01 4.28 -6.473367882e-01 -6.473367882e-01 4.30 -6.312578862e-01 -6.312578862e-01 4.32 -6.155461241e-01 -6.155461241e-01 4.34 -6.001950023e-01 -6.001950023e-01 4.36 -5.851980180e-01 -5.851980180e-01 4.38 -5.705486747e-01 -5.705486747e-01 4.40 -5.562404910e-01 -5.562404910e-01 4.42 -5.422670088e-01 -5.422670088e-01 4.44 -5.286218005e-01 -5.286218005e-01 4.46 -5.152984758e-01 -5.152984758e-01 4.48 -5.022906881e-01 -5.022906881e-01 4.50 -4.895921399e-01 -4.895921399e-01 4.52 -4.771965882e-01 -4.771965882e-01 4.54 -4.650978489e-01 -4.650978489e-01 4.56 -4.532898011e-01 -4.532898011e-01 4.58 -4.417663906e-01 -4.417663906e-01 4.60 -4.305216339e-01 -4.305216339e-01 4.62 -4.195496207e-01 -4.195496207e-01 4.64 -4.088445167e-01 -4.088445167e-01 4.66 -3.984005658e-01 -3.984005658e-01 4.68 -3.882120927e-01 -3.882120927e-01 4.70 -3.782735041e-01 -3.782735041e-01 4.72 -3.685792902e-01 -3.685792902e-01 4.74 -3.591240265e-01 -3.591240265e-01 4.76 -3.499023745e-01 -3.499023745e-01 4.78 -3.409090826e-01 -3.409090826e-01 4.80 -3.321389867e-01 -3.321389867e-01 4.82 -3.235870107e-01 -3.235870107e-01 4.84 -3.152481670e-01 -3.152481670e-01 4.86 -3.071175566e-01 -3.071175566e-01 4.88 -2.991903689e-01 -2.991903689e-01 4.90 -2.914618818e-01 -2.914618818e-01 4.92 -2.839274616e-01 -2.839274616e-01 4.94 -2.765825622e-01 -2.765825622e-01 4.96 -2.694227253e-01 -2.694227253e-01 4.98 -2.624435795e-01 -2.624435795e-01 5.00 -2.556408397e-01 -2.556408397e-01 5.02 -2.490103064e-01 -2.490103064e-01 5.04 -2.425478653e-01 -2.425478653e-01 5.06 -2.362494860e-01 -2.362494860e-01 5.08 -2.301112214e-01 -2.301112214e-01 5.10 -2.241292069e-01 -2.241292069e-01 5.12 -2.182996592e-01 -2.182996592e-01 5.14 -2.126188752e-01 -2.126188752e-01 5.16 -2.070832314e-01 -2.070832314e-01 5.18 -2.016891824e-01 -2.016891824e-01 5.20 -1.964332601e-01 -1.964332601e-01 5.22 -1.913120723e-01 -1.913120723e-01 5.24 -1.863223018e-01 -1.863223018e-01 5.26 -1.814607051e-01 -1.814607051e-01 5.28 -1.767241114e-01 -1.767241114e-01 5.30 -1.721094211e-01 -1.721094211e-01 5.32 -1.676136049e-01 -1.676136049e-01 5.34 -1.632337024e-01 -1.632337024e-01 5.36 -1.589668211e-01 -1.589668211e-01 5.38 -1.548101351e-01 -1.548101351e-01 5.40 -1.507608837e-01 -1.507608837e-01 5.42 -1.468163706e-01 -1.468163706e-01 5.44 -1.429739622e-01 -1.429739622e-01 5.46 -1.123489450e-01 -1.123489450e-01 5.48 -1.095026480e-01 -1.095026480e-01 5.50 -1.067272539e-01 -1.067272539e-01 5.52 -1.040210627e-01 -1.040210627e-01 5.54 -1.013824113e-01 -1.013824113e-01 5.56 -9.880967335e-02 -9.880967335e-02 5.58 -9.630125827e-02 -9.630125827e-02 5.60 -9.385561099e-02 -9.385561099e-02 5.62 -9.147121110e-02 -9.147121110e-02 5.64 -8.914657231e-02 -8.914657231e-02 5.66 -8.688024183e-02 -8.688024183e-02 5.68 -8.467079974e-02 -8.467079974e-02 5.70 -8.251685839e-02 -8.251685839e-02 5.72 -8.041706181e-02 -8.041706181e-02 5.74 -7.837008507e-02 -7.837008507e-02 5.76 -7.637463371e-02 -7.637463371e-02 5.78 -7.442944314e-02 -7.442944314e-02 5.80 -7.253327806e-02 -7.253327806e-02 5.82 -7.068493187e-02 -7.068493187e-02 5.84 -6.888322607e-02 -6.888322607e-02 5.86 -6.712700974e-02 -6.712700974e-02 5.88 -6.541515893e-02 -6.541515893e-02 5.90 -6.374657615e-02 -6.374657615e-02 5.92 -6.212018977e-02 -6.212018977e-02 5.94 -6.053495351e-02 -6.053495351e-02 5.96 -5.898984592e-02 -5.898984592e-02 5.98 -5.748386980e-02 -5.748386980e-02 6.00 -5.601605172e-02 -5.601605172e-02