# 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 = Al2CoMn # 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 2.184461777e+02 2.184461777e+02 1.10 2.021562802e+02 2.021562802e+02 1.12 1.867618387e+02 1.867618387e+02 1.14 1.724634188e+02 1.724634188e+02 1.16 1.595304121e+02 1.595304121e+02 1.18 1.475078770e+02 1.475078770e+02 1.20 1.369335121e+02 1.369335121e+02 1.22 1.266481904e+02 1.266481904e+02 1.24 1.170048738e+02 1.170048738e+02 1.26 1.083399214e+02 1.083399006e+02 1.28 1.002454209e+02 1.002454209e+02 1.30 9.278426168e+01 9.278426168e+01 1.32 8.567475312e+01 8.567475312e+01 1.34 7.947575505e+01 7.947575505e+01 1.36 7.333840990e+01 7.333840990e+01 1.38 6.768558378e+01 6.768558378e+01 1.40 6.241232879e+01 6.241232879e+01 1.42 5.752286679e+01 5.752286679e+01 1.44 5.332782443e+01 5.332782443e+01 1.46 4.936846599e+01 4.936846599e+01 1.48 4.540199909e+01 4.540199909e+01 1.50 4.172119102e+01 4.172119102e+01 1.52 3.844338911e+01 3.844338911e+01 1.54 3.549570719e+01 3.549570719e+01 1.56 3.251489427e+01 3.251489427e+01 1.58 2.979430786e+01 2.979430786e+01 1.60 2.722046005e+01 2.722046005e+01 1.62 2.483051461e+01 2.483051461e+01 1.64 2.261123373e+01 2.261123373e+01 1.66 2.068442383e+01 2.068442383e+01 1.68 1.887617265e+01 1.887617265e+01 1.70 1.707794689e+01 1.707794689e+01 1.72 1.540881930e+01 1.540881930e+01 1.74 1.399461365e+01 1.399461365e+01 1.76 1.254585479e+01 1.254585479e+01 1.78 1.120195113e+01 1.120195113e+01 1.80 9.955635341e+00 9.955635341e+00 1.82 8.978622266e+00 8.978622266e+00 1.84 7.893505935e+00 7.893505935e+00 1.86 7.124788384e+00 7.124788384e+00 1.88 6.174579607e+00 6.174579607e+00 1.90 5.295340716e+00 5.295340716e+00 1.92 4.482214032e+00 4.482214032e+00 1.94 3.799562228e+00 3.799562228e+00 1.96 3.100225009e+00 3.100225009e+00 1.98 2.454765649e+00 2.454765649e+00 2.00 1.859516112e+00 1.859516112e+00 2.02 1.311060585e+00 1.311060585e+00 2.04 8.062169719e-01 8.062169719e-01 2.06 3.420198693e-01 3.420198693e-01 2.08 -8.429510659e-02 -8.429510659e-02 2.10 -3.694037411e-01 -3.694032408e-01 2.12 -6.771362662e-01 -6.771362662e-01 2.14 -1.015962810e+00 -1.015962810e+00 2.16 -1.325404638e+00 -1.325404638e+00 2.18 -1.607475163e+00 -1.607475163e+00 2.20 -1.864054195e+00 -1.864054195e+00 2.22 -2.096897149e+00 -2.096897149e+00 2.24 -2.169829874e+00 -2.169829874e+00 2.26 -2.369071228e+00 -2.369071228e+00 2.28 -2.548584895e+00 -2.548584895e+00 2.30 -2.709746531e+00 -2.709746531e+00 2.32 -2.853841844e+00 -2.853841844e+00 2.34 -2.982072585e+00 -2.982072585e+00 2.36 -3.095562127e+00 -3.095562127e+00 2.38 -3.195360645e+00 -3.195360645e+00 2.40 -3.282449936e+00 -3.282449936e+00 2.42 -3.357747902e+00 -3.357747902e+00 2.44 -3.278558070e+00 -3.278558070e+00 2.46 -3.341427530e+00 -3.341427530e+00 2.48 -3.394398764e+00 -3.394398764e+00 2.50 -3.438203756e+00 -3.438203756e+00 2.52 -3.353609857e+00 -3.353609857e+00 2.54 -3.388454215e+00 -3.388454215e+00 2.56 -3.415606464e+00 -3.415606464e+00 2.58 -3.435653253e+00 -3.435653253e+00 2.60 -3.449143184e+00 -3.449143184e+00 2.62 -3.456589208e+00 -3.456589208e+00 2.64 -3.458470864e+00 -3.458470864e+00 2.66 -3.455236382e+00 -3.455236382e+00 2.68 -3.447304645e+00 -3.447304645e+00 2.70 -3.435067029e+00 -3.435067029e+00 2.72 -3.418889125e+00 -3.418889125e+00 2.74 -3.364329482e+00 -3.364329482e+00 2.76 -3.343151069e+00 -3.343151069e+00 2.78 -3.318888941e+00 -3.318888941e+00 2.80 -3.291826073e+00 -3.291826073e+00 2.82 -3.262226488e+00 -3.262226488e+00 2.84 -3.230336433e+00 -3.230336433e+00 2.86 -3.196385489e+00 -3.196385489e+00 2.88 -3.160587608e+00 -3.160587608e+00 2.90 -3.123142081e+00 -3.123142081e+00 2.92 -3.084234461e+00 -3.084234461e+00 2.94 -3.044037410e+00 -3.044037410e+00 2.96 -3.002711511e+00 -3.002711511e+00 2.98 -2.960406018e+00 -2.960406018e+00 3.00 -2.917259566e+00 -2.917259566e+00 3.02 -2.873400838e+00 -2.873400838e+00 3.04 -2.828949189e+00 -2.828949189e+00 3.06 -2.784015230e+00 -2.784015230e+00 3.08 -2.738701382e+00 -2.738701382e+00 3.10 -2.693102389e+00 -2.693102389e+00 3.12 -2.647305811e+00 -2.647305811e+00 3.14 -2.601392470e+00 -2.601392470e+00 3.16 -2.508718341e+00 -2.508718341e+00 3.18 -2.464981280e+00 -2.464981280e+00 3.20 -2.421231196e+00 -2.421231196e+00 3.22 -2.377530751e+00 -2.377530751e+00 3.24 -2.333937560e+00 -2.333937560e+00 3.26 -2.290504512e+00 -2.290504512e+00 3.28 -2.247280074e+00 -2.247280074e+00 3.30 -2.080894200e+00 -2.080894200e+00 3.32 -2.044023523e+00 -2.044023523e+00 3.34 -2.007211702e+00 -2.007211702e+00 3.36 -1.970504698e+00 -1.970504698e+00 3.38 -1.933944750e+00 -1.933944750e+00 3.40 -1.897570610e+00 -1.897570610e+00 3.42 -1.861417759e+00 -1.861417759e+00 3.44 -1.825518618e+00 -1.825518618e+00 3.46 -1.789902737e+00 -1.789902737e+00 3.48 -1.754596980e+00 -1.754596980e+00 3.50 -1.719625701e+00 -1.719625701e+00 3.52 -1.685010898e+00 -1.685010898e+00 3.54 -1.650772373e+00 -1.650772373e+00 3.56 -1.616927876e+00 -1.616927876e+00 3.58 -1.583493234e+00 -1.583493234e+00 3.60 -1.550482486e+00 -1.550482486e+00 3.62 -1.517907999e+00 -1.517907999e+00 3.64 -1.485780580e+00 -1.485780580e+00 3.66 -1.454109588e+00 -1.454109588e+00 3.68 -1.422903026e+00 -1.422903026e+00 3.70 -1.392167642e+00 -1.392167642e+00 3.72 -1.361909014e+00 -1.361909014e+00 3.74 -1.332131634e+00 -1.332131634e+00 3.76 -1.302838986e+00 -1.302838986e+00 3.78 -1.274033620e+00 -1.274033620e+00 3.80 -1.245717219e+00 -1.245717219e+00 3.82 -1.217890668e+00 -1.217890668e+00 3.84 -1.190554111e+00 -1.190554111e+00 3.86 -1.092070638e+00 -1.092070638e+00 3.88 -1.068469223e+00 -1.068469223e+00 3.90 -1.045248612e+00 -1.045248612e+00 3.92 -1.022410533e+00 -1.022410533e+00 3.94 -9.999560803e-01 -9.999560803e-01 3.96 -9.778857612e-01 -9.778857612e-01 3.98 -9.561995395e-01 -9.561995395e-01 4.00 -9.348968766e-01 -9.348968766e-01 4.02 -9.139767705e-01 -9.139767705e-01 4.04 -8.934377918e-01 -8.934377918e-01 4.06 -8.732781183e-01 -8.732781183e-01 4.08 -8.534955668e-01 -8.534955668e-01 4.10 -8.340876234e-01 -8.340876234e-01 4.12 -8.150514718e-01 -8.150514718e-01 4.14 -7.963840201e-01 -7.963840201e-01 4.16 -7.780819251e-01 -7.780819251e-01 4.18 -7.601416165e-01 -7.601416165e-01 4.20 -7.425593180e-01 -7.425593180e-01 4.22 -7.253310684e-01 -7.253310684e-01 4.24 -7.084527406e-01 -7.084527406e-01 4.26 -6.919200595e-01 -6.919200595e-01 4.28 -6.757286188e-01 -6.757286188e-01 4.30 -6.598738970e-01 -6.598738970e-01 4.32 -6.443512715e-01 -6.443512715e-01 4.34 -6.291560330e-01 -6.291560330e-01 4.36 -6.142833976e-01 -6.142833976e-01 4.38 -5.997285192e-01 -5.997285192e-01 4.40 -5.854865003e-01 -5.854865003e-01 4.42 -5.715524025e-01 -5.715524025e-01 4.44 -5.579212559e-01 -5.579212559e-01 4.46 -5.445880682e-01 -5.445880682e-01 4.48 -5.315478328e-01 -5.315478328e-01 4.50 -5.187955366e-01 -5.187955366e-01 4.52 -5.063261669e-01 -5.063261669e-01 4.54 -4.941347181e-01 -4.941347181e-01 4.56 -4.822161977e-01 -4.822161977e-01 4.58 -4.705656320e-01 -4.705656320e-01 4.60 -4.591780708e-01 -4.591780708e-01 4.62 -4.480485928e-01 -4.480485928e-01 4.64 -4.371723092e-01 -4.371723092e-01 4.66 -4.265443681e-01 -4.265443681e-01 4.68 -4.161599579e-01 -4.161599579e-01 4.70 -4.060143108e-01 -4.060143108e-01 4.72 -3.961027053e-01 -3.961027053e-01 4.74 -3.864204694e-01 -3.864204694e-01 4.76 -3.769629828e-01 -3.769629828e-01 4.78 -3.677256790e-01 -3.677256790e-01 4.80 -3.587040474e-01 -3.587040474e-01 4.82 -3.498936347e-01 -3.498936347e-01 4.84 -3.412900469e-01 -3.412900469e-01 4.86 -3.328889500e-01 -3.328889500e-01 4.88 -3.246860717e-01 -3.246860717e-01 4.90 -3.166772022e-01 -3.166772022e-01 4.92 -3.088581946e-01 -3.088581946e-01 4.94 -3.012249663e-01 -3.012249663e-01 4.96 -2.937734989e-01 -2.937734989e-01 4.98 -2.864998391e-01 -2.864998391e-01 5.00 -2.794000985e-01 -2.794000985e-01 5.02 -2.724704542e-01 -2.724704542e-01 5.04 -2.657071488e-01 -2.657071488e-01 5.06 -2.591064900e-01 -2.591064900e-01 5.08 -2.526648513e-01 -2.526648513e-01 5.10 -2.463786711e-01 -2.463786711e-01 5.12 -2.402444526e-01 -2.402444526e-01 5.14 -2.342587639e-01 -2.342587639e-01 5.16 -2.284182372e-01 -2.284182372e-01 5.18 -2.227195684e-01 -2.227195684e-01 5.20 -2.171595169e-01 -2.171595169e-01 5.22 -2.117349049e-01 -2.117349049e-01 5.24 -2.064426167e-01 -2.064426167e-01 5.26 -2.012795983e-01 -2.012795983e-01 5.28 -1.962428568e-01 -1.962428568e-01 5.30 -1.913294594e-01 -1.913294594e-01 5.32 -1.865365330e-01 -1.865365330e-01 5.34 -1.818612635e-01 -1.818612635e-01 5.36 -1.773008947e-01 -1.773008947e-01 5.38 -1.728527279e-01 -1.728527279e-01 5.40 -1.685141210e-01 -1.685141210e-01 5.42 -1.642824876e-01 -1.642824876e-01 5.44 -1.601552962e-01 -1.601552962e-01 5.46 -1.204396844e-01 -1.204396844e-01 5.48 -1.174905679e-01 -1.174905679e-01 5.50 -1.146120052e-01 -1.146120052e-01 5.52 -1.118023923e-01 -1.118023923e-01 5.54 -1.090601572e-01 -1.090601572e-01 5.56 -1.063837599e-01 -1.063837599e-01 5.58 -1.037716913e-01 -1.037716913e-01 5.60 -1.012224735e-01 -1.012224735e-01 5.62 -9.873465899e-02 -9.873465899e-02 5.64 -9.630683022e-02 -9.630683022e-02 5.66 -9.393759919e-02 -9.393759919e-02 5.68 -9.162560705e-02 -9.162560705e-02 5.70 -8.936952361e-02 -8.936952361e-02 5.72 -8.716804689e-02 -8.716804689e-02 5.74 -8.501990267e-02 -8.501990267e-02 5.76 -8.292384403e-02 -8.292384403e-02 5.78 -8.087865092e-02 -8.087865092e-02 5.80 -7.888312965e-02 -7.888312965e-02 5.82 -7.693611248e-02 -7.693611248e-02 5.84 -7.503645715e-02 -7.503645715e-02 5.86 -7.318304645e-02 -7.318304645e-02 5.88 -7.137478772e-02 -7.137478772e-02 5.90 -6.961061245e-02 -6.961061245e-02 5.92 -6.788947581e-02 -6.788947581e-02 5.94 -6.621035622e-02 -6.621035622e-02 5.96 -6.457225490e-02 -6.457225490e-02 5.98 -6.297419546e-02 -6.297419546e-02 6.00 -6.141522343e-02 -6.141522343e-02