# 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 = AlCo # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.617937309e+02 2.617937309e+02 nan nan 0.86 nan nan nan nan 2.382436704e+02 2.382436704e+02 nan nan 0.88 nan nan nan nan 2.171309194e+02 2.171309194e+02 nan nan 0.90 nan nan nan nan 1.981863255e+02 1.981863255e+02 nan nan 0.92 nan nan nan nan 1.808303515e+02 1.808303515e+02 nan nan 0.94 nan nan nan nan 1.653779075e+02 1.653779075e+02 nan nan 0.96 2.601723814e+02 2.601723814e+02 nan nan 1.512299717e+02 1.512299717e+02 nan nan 0.98 2.388751123e+02 2.388751123e+02 nan nan 1.381482397e+02 1.381482397e+02 nan nan 1.00 2.196906330e+02 2.196906330e+02 nan nan 1.266255285e+02 1.266255285e+02 nan nan 1.02 2.015553958e+02 2.015553958e+02 nan nan 1.158697779e+02 1.158697779e+02 nan nan 1.04 1.855313483e+02 1.855313483e+02 nan nan 1.059568688e+02 1.059568688e+02 nan nan 1.06 1.705209592e+02 1.705209592e+02 nan nan 9.713251530e+01 9.713251530e+01 nan nan 1.08 1.568573515e+02 1.568573515e+02 2.249324345e+02 2.249324345e+02 8.930575106e+01 8.930575106e+01 2.417908626e+02 2.417908626e+02 1.10 1.446208384e+02 1.446208384e+02 2.080584297e+02 2.080584297e+02 8.193403959e+01 8.193403959e+01 2.236225603e+02 2.236225603e+02 1.12 1.329366938e+02 1.329366938e+02 1.921050996e+02 1.921050996e+02 7.514469159e+01 7.514469159e+01 2.067753451e+02 2.067753451e+02 1.14 1.221526441e+02 1.221526441e+02 1.772922444e+02 1.772922444e+02 6.879771303e+01 6.879771303e+01 1.913239679e+02 1.913239679e+02 1.16 1.125371229e+02 1.125371229e+02 1.639038631e+02 1.639038631e+02 6.311799311e+01 6.311799311e+01 1.770474266e+02 1.770474266e+02 1.18 1.037941747e+02 1.037941747e+02 1.514543677e+02 1.514543677e+02 5.793062849e+01 5.793062849e+01 1.639677362e+02 1.639677362e+02 1.20 9.536702248e+01 9.536702248e+01 1.405182105e+02 1.405182105e+02 5.324340001e+01 5.324340001e+01 1.516968909e+02 1.516968909e+02 1.22 8.779052887e+01 8.779052887e+01 1.298724708e+02 1.298724708e+02 4.889231130e+01 4.889231130e+01 1.406171165e+02 1.406171165e+02 1.24 8.107567709e+01 8.107567709e+01 1.198948357e+02 1.198948357e+02 4.475185371e+01 4.475185371e+01 1.301215906e+02 1.301215906e+02 1.26 7.455164199e+01 7.455164199e+01 1.109931262e+02 1.109931262e+02 4.101176557e+01 4.101176557e+01 1.205823312e+02 1.205823312e+02 1.28 6.848984179e+01 6.848984179e+01 1.025701452e+02 1.025701452e+02 3.761108849e+01 3.761108849e+01 1.116384745e+02 1.116384745e+02 1.30 6.298494315e+01 6.298494315e+01 9.485654974e+01 9.485654974e+01 3.460222697e+01 3.460222697e+01 1.032537841e+02 1.032537841e+02 1.32 5.777006534e+01 5.777006534e+01 8.750956617e+01 8.750956617e+01 3.162793206e+01 3.162793206e+01 9.553972348e+01 9.553972348e+01 1.34 5.296174336e+01 5.296174336e+01 8.110955696e+01 8.110955696e+01 2.896012447e+01 2.896012447e+01 8.834219416e+01 8.834219416e+01 1.36 4.866114894e+01 4.866114894e+01 7.477133568e+01 7.477133568e+01 2.644160450e+01 2.644160450e+01 8.172577841e+01 8.172577841e+01 1.38 4.481425543e+01 4.481425543e+01 6.893575055e+01 6.893575055e+01 2.415990738e+01 2.415990738e+01 7.563364909e+01 7.563364909e+01 1.40 4.099404176e+01 4.099404176e+01 6.349423180e+01 6.349423180e+01 2.202634128e+01 2.202634128e+01 6.996323005e+01 6.996323005e+01 1.42 3.760705428e+01 3.760705428e+01 5.845085170e+01 5.845085170e+01 2.006315799e+01 2.006315799e+01 6.470615846e+01 6.470615846e+01 1.44 3.433621224e+01 3.433621224e+01 5.413651674e+01 5.413651674e+01 1.843701897e+01 1.843701897e+01 5.966747105e+01 5.966747105e+01 1.46 3.143944940e+01 3.143944940e+01 5.005510636e+01 5.005510636e+01 1.704801669e+01 1.704801669e+01 5.505982133e+01 5.505982133e+01 1.48 2.863614843e+01 2.863614843e+01 4.596789267e+01 4.596789267e+01 1.546937524e+01 1.546937524e+01 5.091400739e+01 5.091400739e+01 1.50 2.625257197e+01 2.625257197e+01 4.217685472e+01 4.217685472e+01 1.401617379e+01 1.401617379e+01 4.687894187e+01 4.687894187e+01 1.52 2.383993581e+01 2.383993581e+01 3.880312351e+01 3.880312351e+01 1.267818159e+01 1.267818159e+01 4.322755307e+01 4.322755307e+01 1.54 2.186363052e+01 2.186363052e+01 3.577823299e+01 3.577823299e+01 1.157233321e+01 1.157233321e+01 3.973135328e+01 3.973135328e+01 1.56 1.977952779e+01 1.977952779e+01 3.271188440e+01 3.271188440e+01 1.042511544e+01 1.042511544e+01 3.649213857e+01 3.649213857e+01 1.58 1.789081474e+01 1.789081474e+01 2.991493714e+01 2.991493714e+01 9.417001804e+00 9.417001804e+00 3.355985455e+01 3.355985455e+01 1.60 1.610960042e+01 1.610960042e+01 2.727017768e+01 2.727017768e+01 8.439746840e+00 8.439746840e+00 3.078910718e+01 3.078910718e+01 1.62 1.446460643e+01 1.446460643e+01 2.481584769e+01 2.481584769e+01 7.539883579e+00 7.539883579e+00 2.812175643e+01 2.812175643e+01 1.64 1.294557067e+01 1.294557067e+01 2.253818595e+01 2.253818595e+01 6.711323606e+00 6.711323606e+00 2.564344562e+01 2.564344562e+01 1.66 1.154305487e+01 1.154305487e+01 2.056297692e+01 2.056297692e+01 5.948489358e+00 5.948489358e+00 2.334070886e+01 2.334070886e+01 1.68 1.024837190e+01 1.024837190e+01 1.871389555e+01 1.871389555e+01 5.308545152e+00 5.308545152e+00 2.128652557e+01 2.128652557e+01 1.70 9.329288263e+00 9.329288263e+00 1.687147074e+01 1.687147074e+01 4.656570442e+00 4.656570442e+00 1.946421407e+01 1.946421407e+01 1.72 8.203047778e+00 8.203047778e+00 1.516255819e+01 1.516255819e+01 4.056724399e+00 4.056724399e+00 1.759488976e+01 1.759488976e+01 1.74 7.164518942e+00 7.164518942e+00 1.371684496e+01 1.371684496e+01 3.644099413e+00 3.644099413e+00 1.594324488e+01 1.594324488e+01 1.76 6.334118344e+00 6.334118344e+00 1.223568858e+01 1.223568858e+01 3.125076912e+00 3.125076912e+00 1.432375414e+01 1.432375414e+01 1.78 5.441112178e+00 5.441112178e+00 1.086286772e+01 1.086286772e+01 2.648108045e+00 2.648108045e+00 1.300862211e+01 1.300862211e+01 1.80 4.618851147e+00 4.618851147e+00 9.590836621e+00 9.590836621e+00 2.209995479e+00 2.209995479e+00 1.159774959e+01 1.159774959e+01 1.82 3.911352187e+00 3.911352187e+00 8.597056265e+00 8.597056265e+00 1.807795002e+00 1.807795002e+00 1.033219595e+01 1.033219595e+01 1.84 3.211507875e+00 3.211507875e+00 7.491319706e+00 7.491319706e+00 1.438793978e+00 1.438793978e+00 9.114566920e+00 9.114566920e+00 1.86 2.568348484e+00 2.568348484e+00 6.719467028e+00 6.719467028e+00 1.226194040e+00 1.226194040e+00 8.080115391e+00 8.080115391e+00 1.88 1.977753877e+00 1.977753877e+00 5.752248855e+00 5.752248855e+00 9.059048136e-01 9.059048136e-01 7.026512214e+00 7.026512214e+00 1.90 1.570048141e+00 1.570048141e+00 4.858255659e+00 4.858255659e+00 6.127316929e-01 6.127316929e-01 6.135223121e+00 6.135223121e+00 1.92 1.062654016e+00 1.062654016e+00 4.032445492e+00 4.032445492e+00 3.446406084e-01 3.446406084e-01 5.274353229e+00 5.274353229e+00 1.94 5.980565683e-01 5.980565683e-01 3.341171558e+00 3.341171558e+00 1.707924755e-01 1.707924755e-01 4.428323962e+00 4.428323962e+00 1.96 1.731506564e-01 1.731506564e-01 2.632605270e+00 2.632605270e+00 -5.801939098e-02 -5.801939098e-02 3.693231701e+00 3.693231701e+00 1.98 -2.149435898e-01 -2.149435898e-01 1.979532351e+00 1.979532351e+00 -2.665599511e-01 -2.665599511e-01 2.966852472e+00 2.966852472e+00 2.00 -4.248382574e-01 -4.248382574e-01 1.378149411e+00 1.378149411e+00 -4.563436949e-01 -4.563436949e-01 2.296174088e+00 2.296174088e+00 2.02 -7.577318235e-01 -7.577318235e-01 8.249156022e-01 8.249156022e-01 -6.287717505e-01 -6.287717505e-01 1.677440494e+00 1.677440494e+00 2.04 -1.060489214e+00 -1.060489214e+00 3.165333093e-01 3.165333093e-01 -7.851408397e-01 -7.851408397e-01 1.266643496e+00 1.266643496e+00 2.06 -1.335304757e+00 -1.335304757e+00 -1.500696204e-01 -1.500696204e-01 -9.266514759e-01 -9.266514759e-01 7.297647936e-01 7.297647936e-01 2.08 -1.584216740e+00 -1.584216740e+00 -5.777562285e-01 -5.777562285e-01 -1.054415475e+00 -1.054415475e+00 2.358894462e-01 2.358894462e-01 2.10 -1.717480622e+00 -1.717480622e+00 -8.495890704e-01 -8.495890704e-01 -1.112983420e+00 -1.112983420e+00 -1.943965135e-01 -1.943965135e-01 2.12 -1.856003189e+00 -1.856003189e+00 -1.160723528e+00 -1.160723528e+00 -1.189671687e+00 -1.189671687e+00 -5.927259846e-01 -5.927259846e-01 2.14 -2.049397489e+00 -2.049397489e+00 -1.499080070e+00 -1.499080070e+00 -1.288135970e+00 -1.288135970e+00 -9.772672534e-01 -9.772672534e-01 2.16 -2.222875928e+00 -2.222875928e+00 -1.807287745e+00 -1.807287745e+00 -1.376104434e+00 -1.376104434e+00 -1.305497759e+00 -1.305497759e+00 2.18 -2.377911654e+00 -2.377911654e+00 -2.087430671e+00 -2.087430671e+00 -1.454369386e+00 -1.454369386e+00 -1.581396579e+00 -1.581396579e+00 2.20 -2.515874711e+00 -2.515874711e+00 -2.341454019e+00 -2.341454019e+00 -1.523665919e+00 -1.523665919e+00 -1.878965058e+00 -1.878965058e+00 2.22 -2.638039423e+00 -2.638039423e+00 -2.571173631e+00 -2.571173631e+00 -1.584676184e+00 -1.584676184e+00 -2.149715502e+00 -2.149715502e+00 2.24 -2.674522741e+00 -2.674522741e+00 -2.636147981e+00 -2.636147981e+00 -1.495896387e+00 -1.495896387e+00 -2.395478768e+00 -2.395478768e+00 2.26 -2.773260074e+00 -2.773260074e+00 -2.831625470e+00 -2.831625470e+00 -1.551579469e+00 -1.551579469e+00 -2.617965976e+00 -2.617965976e+00 2.28 -2.859203798e+00 -2.859203798e+00 -3.006937408e+00 -3.006937408e+00 -1.600123780e+00 -1.600123780e+00 -2.818776609e+00 -2.818776609e+00 2.30 -2.933328826e+00 -2.933328826e+00 -3.163505438e+00 -3.163505438e+00 -1.642076508e+00 -1.642076508e+00 -2.999406028e+00 -2.999406028e+00 2.32 -2.996542429e+00 -2.996542429e+00 -3.302657735e+00 -3.302657735e+00 -1.677946146e+00 -1.677946146e+00 -3.063411173e+00 -3.063411173e+00 2.34 -3.049688949e+00 -3.049688949e+00 -3.425635262e+00 -3.425635262e+00 -1.708205268e+00 -1.708205268e+00 -3.214259422e+00 -3.214259422e+00 2.36 -3.093554163e+00 -3.093554163e+00 -3.533597579e+00 -3.533597579e+00 -1.733293097e+00 -1.733293097e+00 -3.254819132e+00 -3.254819132e+00 2.38 -3.128869348e+00 -3.128869348e+00 -3.627628245e+00 -3.627628245e+00 -1.753617885e+00 -1.753617885e+00 -3.379370634e+00 -3.379370634e+00 2.40 -3.156315030e+00 -3.156315030e+00 -3.708739841e+00 -3.708739841e+00 -1.769559105e+00 -1.769559105e+00 -3.489140682e+00 -3.489140682e+00 2.42 -3.176524486e+00 -3.176524486e+00 -3.777878644e+00 -3.777878644e+00 -1.781469492e+00 -1.781469492e+00 -3.499133925e+00 -3.499133925e+00 2.44 -3.190086982e+00 -3.190086982e+00 -3.687540883e+00 -3.687540883e+00 -1.789676927e+00 -1.789676927e+00 -3.587913834e+00 -3.587913834e+00 2.46 -3.197550787e+00 -3.197550787e+00 -3.744304512e+00 -3.744304512e+00 -1.794486182e+00 -1.794486182e+00 -3.664509803e+00 -3.664509803e+00 2.48 -3.199425970e+00 -3.199425970e+00 -3.791036923e+00 -3.791036923e+00 -1.796180539e+00 -1.796180539e+00 -3.729802128e+00 -3.729802128e+00 2.50 -3.196187006e+00 -3.196187006e+00 -3.828492114e+00 -3.828492114e+00 -1.795023293e+00 -1.795023293e+00 -3.784614490e+00 -3.784614490e+00 2.52 -3.188275188e+00 -3.188275188e+00 -3.729876716e+00 -3.729876716e+00 -1.727510066e+00 -1.727510066e+00 -3.829717572e+00 -3.829717572e+00 2.54 -3.176100886e+00 -3.176100886e+00 -3.758688549e+00 -3.758688549e+00 -1.725287796e+00 -1.725287796e+00 -3.816410603e+00 -3.816410603e+00 2.56 -3.160045633e+00 -3.160045633e+00 -3.779722893e+00 -3.779722893e+00 -1.720657602e+00 -1.720657602e+00 -3.847087258e+00 -3.847087258e+00 2.58 -2.995553857e+00 -2.995553857e+00 -3.793583943e+00 -3.793583943e+00 -1.713830238e+00 -1.713830238e+00 -3.869914503e+00 -3.869914503e+00 2.60 -2.981104500e+00 -2.981104500e+00 -3.800836407e+00 -3.800836407e+00 -1.705001649e+00 -1.705001649e+00 -3.885492211e+00 -3.885492211e+00 2.62 -2.963287085e+00 -2.963287085e+00 -3.802008008e+00 -3.802008008e+00 -1.694353969e+00 -1.694353969e+00 -3.894381520e+00 -3.894381520e+00 2.64 -2.942413104e+00 -2.942413104e+00 -3.797591825e+00 -3.797591825e+00 -1.682056466e+00 -1.682056466e+00 -3.897107263e+00 -3.897107263e+00 2.66 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