# 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 = CoMnNi2 # 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 2.009098312e+02 2.009098312e+02 1.10 1.850170143e+02 1.850170143e+02 1.12 1.701713292e+02 1.701713292e+02 1.14 1.564648495e+02 1.564648495e+02 1.16 1.440152312e+02 1.440152312e+02 1.18 1.324911689e+02 1.324911689e+02 1.20 1.221986266e+02 1.221986266e+02 1.22 1.123990819e+02 1.123990819e+02 1.24 1.032906518e+02 1.032906518e+02 1.26 9.504001141e+01 9.504002439e+01 1.28 8.738848313e+01 8.738848313e+01 1.30 8.033176567e+01 8.033176567e+01 1.32 7.370639718e+01 7.370639718e+01 1.34 6.781063450e+01 6.781063450e+01 1.36 6.213802432e+01 6.213802432e+01 1.38 5.691783238e+01 5.691783238e+01 1.40 5.207696216e+01 5.207696216e+01 1.42 4.760419927e+01 4.760419927e+01 1.44 4.368283832e+01 4.368283832e+01 1.46 3.999610617e+01 3.999610617e+01 1.48 3.642478483e+01 3.642478483e+01 1.50 3.312427487e+01 3.312427487e+01 1.52 3.015052350e+01 3.015052350e+01 1.54 2.747152238e+01 2.747152238e+01 1.56 2.484243560e+01 2.484243560e+01 1.58 2.243925135e+01 2.243925135e+01 1.60 2.019236816e+01 2.019236816e+01 1.62 1.811688995e+01 1.811688995e+01 1.64 1.620007984e+01 1.620007984e+01 1.66 1.450394460e+01 1.450394460e+01 1.68 1.293614093e+01 1.293614093e+01 1.70 1.141475721e+01 1.141475721e+01 1.72 1.001165695e+01 1.001165695e+01 1.74 8.792579901e+00 8.792579901e+00 1.76 7.593731329e+00 7.593731329e+00 1.78 6.489820190e+00 6.489820190e+00 1.80 5.473952780e+00 5.473952780e+00 1.82 4.638775722e+00 4.638775722e+00 1.84 3.771409980e+00 3.771409980e+00 1.86 3.123102182e+00 3.123102182e+00 1.88 2.379598193e+00 2.379598193e+00 1.90 1.698428179e+00 1.698428179e+00 1.92 1.075065784e+00 1.075065784e+00 1.94 5.434044601e-01 5.434044601e-01 1.96 2.012184702e-02 2.012184702e-02 1.98 -4.567867577e-01 -4.567867577e-01 2.00 -8.907013010e-01 -8.907013010e-01 2.02 -1.284760556e+00 -1.284760556e+00 2.04 -1.641880134e+00 -1.641880134e+00 2.06 -1.964769035e+00 -1.964769035e+00 2.08 -2.255944882e+00 -2.255944882e+00 2.10 -2.451107119e+00 -2.451107431e+00 2.12 -2.654625621e+00 -2.654625621e+00 2.14 -2.871733272e+00 -2.871733272e+00 2.16 -3.064948191e+00 -3.064948191e+00 2.18 -3.236067393e+00 -3.236067393e+00 2.20 -3.386762250e+00 -3.386762250e+00 2.22 -3.518587403e+00 -3.518587403e+00 2.24 -3.556770727e+00 -3.556770727e+00 2.26 -3.660748052e+00 -3.660748052e+00 2.28 -3.749480727e+00 -3.749480727e+00 2.30 -3.824163738e+00 -3.824163738e+00 2.32 -3.885908676e+00 -3.885908676e+00 2.34 -3.935749519e+00 -3.935749519e+00 2.36 -3.974647993e+00 -3.974647993e+00 2.38 -4.003498552e+00 -4.003498552e+00 2.40 -4.023132995e+00 -4.023132995e+00 2.42 -4.034324764e+00 -4.034324764e+00 2.44 -3.958072346e+00 -3.958072346e+00 2.46 -3.959899473e+00 -3.959899473e+00 2.48 -3.954926262e+00 -3.954926262e+00 2.50 -3.943754505e+00 -3.943754505e+00 2.52 -3.851812410e+00 -3.851812410e+00 2.54 -3.834862720e+00 -3.834862720e+00 2.56 -3.812946153e+00 -3.812946153e+00 2.58 -3.786532011e+00 -3.786532011e+00 2.60 -3.756055946e+00 -3.756055946e+00 2.62 -3.721922227e+00 -3.721922227e+00 2.64 -3.684505842e+00 -3.684505842e+00 2.66 -3.644154469e+00 -3.644154469e+00 2.68 -3.601190310e+00 -3.601190310e+00 2.70 -3.555911804e+00 -3.555911804e+00 2.72 -3.508595224e+00 -3.508595224e+00 2.74 -3.440234958e+00 -3.440234958e+00 2.76 -3.390764478e+00 -3.390764478e+00 2.78 -3.339894802e+00 -3.339894802e+00 2.80 -3.287831813e+00 -3.287831813e+00 2.82 -3.234765508e+00 -3.234765508e+00 2.84 -3.180871071e+00 -3.180871071e+00 2.86 -3.126309877e+00 -3.126309877e+00 2.88 -3.071230431e+00 -3.071230431e+00 2.90 -3.015769239e+00 -3.015769239e+00 2.92 -2.960051633e+00 -2.960051633e+00 2.94 -2.904192535e+00 -2.904192535e+00 2.96 -2.848297167e+00 -2.848297167e+00 2.98 -2.792461726e+00 -2.792461726e+00 3.00 -2.736774003e+00 -2.736774003e+00 3.02 -2.681313969e+00 -2.681313969e+00 3.04 -2.626154323e+00 -2.626154323e+00 3.06 -2.571360996e+00 -2.571360996e+00 3.08 -2.516993633e+00 -2.516993633e+00 3.10 -2.463106035e+00 -2.463106035e+00 3.12 -2.409746576e+00 -2.409746576e+00 3.14 -2.356958592e+00 -2.356958592e+00 3.16 -2.278919353e+00 -2.278919353e+00 3.18 -2.228757253e+00 -2.228757253e+00 3.20 -2.179197480e+00 -2.179197480e+00 3.22 -2.130270418e+00 -2.130270418e+00 3.24 -2.082002809e+00 -2.082002809e+00 3.26 -2.034418022e+00 -2.034418022e+00 3.28 -1.987536300e+00 -1.987536300e+00 3.30 -1.863868589e+00 -1.863868589e+00 3.32 -1.822383879e+00 -1.822383879e+00 3.34 -1.781446816e+00 -1.781446816e+00 3.36 -1.741077387e+00 -1.741077387e+00 3.38 -1.701292983e+00 -1.701292983e+00 3.40 -1.662108596e+00 -1.662108596e+00 3.42 -1.623536987e+00 -1.623536987e+00 3.44 -1.585588862e+00 -1.585588862e+00 3.46 -1.548273021e+00 -1.548273021e+00 3.48 -1.511596508e+00 -1.511596508e+00 3.50 -1.475564745e+00 -1.475564745e+00 3.52 -1.440181660e+00 -1.440181660e+00 3.54 -1.405449809e+00 -1.405449809e+00 3.56 -1.371370482e+00 -1.371370482e+00 3.58 -1.337943810e+00 -1.337943810e+00 3.60 -1.305168865e+00 -1.305168865e+00 3.62 -1.273043743e+00 -1.273043743e+00 3.64 -1.241565657e+00 -1.241565657e+00 3.66 -1.210731011e+00 -1.210731011e+00 3.68 -1.180535473e+00 -1.180535473e+00 3.70 -1.150974047e+00 -1.150974047e+00 3.72 -1.122041136e+00 -1.122041136e+00 3.74 -1.093730598e+00 -1.093730598e+00 3.76 -1.066035806e+00 -1.066035806e+00 3.78 -1.038949697e+00 -1.038949697e+00 3.80 -1.012464820e+00 -1.012464820e+00 3.82 -9.865733821e-01 -9.865733821e-01 3.84 -9.612672873e-01 -9.612672873e-01 3.86 -8.967135750e-01 -8.967135750e-01 3.88 -8.742857955e-01 -8.742857955e-01 3.90 -8.523425165e-01 -8.523425165e-01 3.92 -8.308780221e-01 -8.308780221e-01 3.94 -8.098863234e-01 -8.098863234e-01 3.96 -7.893611897e-01 -7.893611897e-01 3.98 -7.692961787e-01 -7.692961787e-01 4.00 -7.496846630e-01 -7.496846630e-01 4.02 -7.305198559e-01 -7.305198559e-01 4.04 -7.117948349e-01 -7.117948349e-01 4.06 -6.935025637e-01 -6.935025637e-01 4.08 -6.756359121e-01 -6.756359121e-01 4.10 -6.581876748e-01 -6.581876748e-01 4.12 -6.411505891e-01 -6.411505891e-01 4.14 -6.245173501e-01 -6.245173501e-01 4.16 -6.082806262e-01 -6.082806262e-01 4.18 -5.924330721e-01 -5.924330721e-01 4.20 -5.769673417e-01 -5.769673417e-01 4.22 -5.618760992e-01 -5.618760992e-01 4.24 -5.471520298e-01 -5.471520298e-01 4.26 -5.327878494e-01 -5.327878494e-01 4.28 -5.187763129e-01 -5.187763129e-01 4.30 -5.051102228e-01 -5.051102228e-01 4.32 -4.917824362e-01 -4.917824362e-01 4.34 -4.787858712e-01 -4.787858712e-01 4.36 -4.661135132e-01 -4.661135132e-01 4.38 -4.537584199e-01 -4.537584199e-01 4.40 -4.417137266e-01 -4.417137266e-01 4.42 -4.299726499e-01 -4.299726499e-01 4.44 -4.185284920e-01 -4.185284920e-01 4.46 -4.073746439e-01 -4.073746439e-01 4.48 -3.965045883e-01 -3.965045883e-01 4.50 -3.859119022e-01 -3.859119022e-01 4.52 -3.755902593e-01 -3.755902593e-01 4.54 -3.655334316e-01 -3.655334316e-01 4.56 -3.557352912e-01 -3.557352912e-01 4.58 -3.461898115e-01 -3.461898115e-01 4.60 -3.368910684e-01 -3.368910684e-01 4.62 -3.278332406e-01 -3.278332406e-01 4.64 -3.190106108e-01 -3.190106108e-01 4.66 -3.104175659e-01 -3.104175659e-01 4.68 -3.020485967e-01 -3.020485967e-01 4.70 -2.938982984e-01 -2.938982984e-01 4.72 -2.859613704e-01 -2.859613704e-01 4.74 -2.782326156e-01 -2.782326156e-01 4.76 -2.707069406e-01 -2.707069406e-01 4.78 -2.633793543e-01 -2.633793543e-01 4.80 -2.562449680e-01 -2.562449680e-01 4.82 -2.492989940e-01 -2.492989940e-01 4.84 -2.425367453e-01 -2.425367453e-01 4.86 -2.359536341e-01 -2.359536341e-01 4.88 -2.295451710e-01 -2.295451710e-01 4.90 -2.233069641e-01 -2.233069641e-01 4.92 -2.172347173e-01 -2.172347173e-01 4.94 -2.113242298e-01 -2.113242298e-01 4.96 -2.055713940e-01 -2.055713940e-01 4.98 -1.999721950e-01 -1.999721950e-01 5.00 -1.945227088e-01 -1.945227088e-01 5.02 -1.892191009e-01 -1.892191009e-01 5.04 -1.840576251e-01 -1.840576251e-01 5.06 -1.790346220e-01 -1.790346220e-01 5.08 -1.741465176e-01 -1.741465176e-01 5.10 -1.693898218e-01 -1.693898218e-01 5.12 -1.647611267e-01 -1.647611267e-01 5.14 -1.602571057e-01 -1.602571057e-01 5.16 -1.558745115e-01 -1.558745115e-01 5.18 -1.516101749e-01 -1.516101749e-01 5.20 -1.474610032e-01 -1.474610032e-01 5.22 -1.434239786e-01 -1.434239786e-01 5.24 -1.394961571e-01 -1.394961571e-01 5.26 -1.356746667e-01 -1.356746667e-01 5.28 -1.319567061e-01 -1.319567061e-01 5.30 -1.283395432e-01 -1.283395432e-01 5.32 -1.248205136e-01 -1.248205136e-01 5.34 -1.213970193e-01 -1.213970193e-01 5.36 -1.180665273e-01 -1.180665273e-01 5.38 -1.148265681e-01 -1.148265681e-01 5.40 -1.116747343e-01 -1.116747343e-01 5.42 -1.086086793e-01 -1.086086793e-01 5.44 -1.056261162e-01 -1.056261162e-01 5.46 -8.291944904e-02 -8.291944904e-02 5.48 -8.071044496e-02 -8.071044496e-02 5.50 -7.855950498e-02 -7.855950498e-02 5.52 -7.646514521e-02 -7.646514521e-02 5.54 -7.442591739e-02 -7.442591739e-02 5.56 -7.244040812e-02 -7.244040812e-02 5.58 -7.050723818e-02 -7.050723818e-02 5.60 -6.862506179e-02 -6.862506179e-02 5.62 -6.679256593e-02 -6.679256593e-02 5.64 -6.500846965e-02 -6.500846965e-02 5.66 -6.327152335e-02 -6.327152335e-02 5.68 -6.158050815e-02 -6.158050815e-02 5.70 -5.993423519e-02 -5.993423519e-02 5.72 -5.833154498e-02 -5.833154498e-02 5.74 -5.677130676e-02 -5.677130676e-02 5.76 -5.525241786e-02 -5.525241786e-02 5.78 -5.377380306e-02 -5.377380306e-02 5.80 -5.233441399e-02 -5.233441399e-02 5.82 -5.093322850e-02 -5.093322850e-02 5.84 -4.956925009e-02 -4.956925009e-02 5.86 -4.824150729e-02 -4.824150729e-02 5.88 -4.694905311e-02 -4.694905311e-02 5.90 -4.569096446e-02 -4.569096446e-02 5.92 -4.446634159e-02 -4.446634159e-02 5.94 -4.327430755e-02 -4.327430755e-02 5.96 -4.211400767e-02 -4.211400767e-02 5.98 -4.098460899e-02 -4.098460899e-02 6.00 -3.988529980e-02 -3.988529980e-02