# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoCrNi2 # 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 2022-05-24 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 nan nan 1.10 2.544308395e+04 2.544308395e+04 1.12 2.045553510e+04 2.045553510e+04 1.14 1.650564670e+04 1.650564670e+04 1.16 1.336505328e+04 1.336505328e+04 1.18 1.085834513e+04 1.085834513e+04 1.20 8.850178133e+03 8.850178133e+03 1.22 7.235666539e+03 7.235666539e+03 1.24 5.933184795e+03 5.933184795e+03 1.26 4.878950428e+03 4.878950428e+03 1.28 4.022926736e+03 4.022926736e+03 1.30 3.325709339e+03 3.325709339e+03 1.32 2.756153261e+03 2.756153261e+03 1.34 2.289553955e+03 2.289553955e+03 1.36 1.906246762e+03 1.906246762e+03 1.38 1.590526709e+03 1.590526709e+03 1.40 1.329810824e+03 1.329810824e+03 1.42 1.113985235e+03 1.113985235e+03 1.44 9.348956497e+02 9.348956497e+02 1.46 7.859488097e+02 7.859488097e+02 1.48 6.617985501e+02 6.617985501e+02 1.50 5.580981660e+02 5.580981660e+02 1.52 4.713035812e+02 4.713035812e+02 1.54 3.985175923e+02 3.985175923e+02 1.56 3.373656789e+02 3.373656789e+02 1.58 2.858967891e+02 2.858967891e+02 1.60 2.425043395e+02 2.425043395e+02 1.62 2.058620870e+02 2.058620870e+02 1.64 1.748722185e+02 1.748722185e+02 1.66 1.486242932e+02 1.486242932e+02 1.68 1.263617407e+02 1.263617407e+02 1.70 1.074545766e+02 1.074545766e+02 1.72 9.137727541e+01 9.137727541e+01 1.74 7.769069061e+01 7.769069061e+01 1.76 6.602704657e+01 6.602704657e+01 1.78 5.607757763e+01 5.607757763e+01 1.80 4.758272554e+01 4.758272554e+01 1.82 4.032401994e+01 4.032401994e+01 1.84 3.411716477e+01 3.411716477e+01 1.86 2.880650271e+01 2.880650271e+01 1.88 2.426044243e+01 2.426044243e+01 1.90 2.036761260e+01 2.036761260e+01 1.92 1.703366091e+01 1.703366091e+01 1.94 1.417840208e+01 1.417840208e+01 1.96 1.173343949e+01 1.173343949e+01 1.98 9.640267832e+00 9.640267832e+00 2.00 7.848945709e+00 7.848945709e+00 2.02 6.316837077e+00 6.316837077e+00 2.04 5.007514106e+00 5.007514106e+00 2.06 3.889726418e+00 3.889726418e+00 2.08 2.936696960e+00 2.936696960e+00 2.10 2.125464370e+00 2.125464370e+00 2.12 1.436305447e+00 1.436305447e+00 2.14 8.522711191e-01 8.522711191e-01 2.16 3.587946332e-01 3.587946332e-01 2.18 -5.663983152e-02 -5.663983152e-02 2.20 -4.047776188e-01 -4.047776188e-01 2.22 -6.948709614e-01 -6.948709614e-01 2.24 -9.350169125e-01 -9.350169125e-01 2.26 -1.132234326e+00 -1.132234326e+00 2.28 -1.292578141e+00 -1.292578141e+00 2.30 -1.421272632e+00 -1.421272632e+00 2.32 -1.522819010e+00 -1.522819010e+00 2.34 -1.601087555e+00 -1.601087555e+00 2.36 -1.659450489e+00 -1.659450489e+00 2.38 -1.700896040e+00 -1.700896040e+00 2.40 -1.728019885e+00 -1.728019885e+00 2.42 -1.743068024e+00 -1.743068024e+00 2.44 -1.747979364e+00 -1.747979364e+00 2.46 -1.744422059e+00 -1.744422059e+00 2.48 -1.733824502e+00 -1.733824502e+00 2.50 -1.717401718e+00 -1.717401718e+00 2.52 -1.696177798e+00 -1.696177798e+00 2.54 -1.671004940e+00 -1.671004940e+00 2.56 -1.642579677e+00 -1.642579677e+00 2.58 -1.611488097e+00 -1.611488097e+00 2.60 -1.578263752e+00 -1.578263752e+00 2.62 -1.543344059e+00 -1.543344059e+00 2.64 -1.507089273e+00 -1.507089273e+00 2.66 -1.469852919e+00 -1.469852919e+00 2.68 -1.431957390e+00 -1.431957390e+00 2.70 -1.393677310e+00 -1.393677310e+00 2.72 -1.355231135e+00 -1.355231135e+00 2.74 -1.316790369e+00 -1.316790369e+00 2.76 -1.278499227e+00 -1.278499227e+00 2.78 -1.240478719e+00 -1.240478719e+00 2.80 -1.202829613e+00 -1.202829613e+00 2.82 -1.165634928e+00 -1.165634928e+00 2.84 -1.128962034e+00 -1.128962034e+00 2.86 -1.092864405e+00 -1.092864405e+00 2.88 -1.057387618e+00 -1.057387618e+00 2.90 -1.022580624e+00 -1.022580624e+00 2.92 -9.884877653e-01 -9.884877653e-01 2.94 -9.551474954e-01 -9.551474954e-01 2.96 -9.225931497e-01 -9.225931497e-01 2.98 -8.908535591e-01 -8.908535591e-01 3.00 -8.599535277e-01 -8.599535277e-01 3.02 -8.299141911e-01 -8.299141911e-01 3.04 -8.007532713e-01 -8.007532713e-01 3.06 -7.724852393e-01 -7.724852393e-01 3.08 -7.451213979e-01 -7.451213979e-01 3.10 -7.186698949e-01 -7.186698949e-01 3.12 -6.931356743e-01 -6.931356743e-01 3.14 -6.685203737e-01 -6.685203737e-01 3.16 -6.448221235e-01 -6.448221235e-01 3.18 -6.220319613e-01 -6.220319613e-01 3.20 -6.001321261e-01 -6.001321261e-01 3.22 -5.791015256e-01 -5.791015256e-01 3.24 -5.589159436e-01 -5.589159436e-01 3.26 -5.395476652e-01 -5.395476652e-01 3.28 -5.209650790e-01 -5.209650790e-01 3.30 -5.031322609e-01 -5.031322609e-01 3.32 -4.860114433e-01 -4.860114433e-01 3.34 -4.695721218e-01 -4.695721218e-01 3.36 -4.537834260e-01 -4.537834260e-01 3.38 -4.386110842e-01 -4.386110842e-01 3.40 -4.240170766e-01 -4.240170766e-01 3.42 -4.099592793e-01 -4.099592793e-01 3.44 -3.963911014e-01 -3.963911014e-01 3.46 -3.832633144e-01 -3.832633144e-01 3.48 -3.705485925e-01 -3.705485925e-01 3.50 -3.582361078e-01 -3.582361078e-01 3.52 -3.463160658e-01 -3.463160658e-01 3.54 -3.347793652e-01 -3.347793652e-01 3.56 -3.236175316e-01 -3.236175316e-01 3.58 -3.128226488e-01 -3.128226488e-01 3.60 -3.023872886e-01 -3.023872886e-01 3.62 -2.923044372e-01 -2.923044372e-01 3.64 -2.825674207e-01 -2.825674207e-01 3.66 -2.731698292e-01 -2.731698292e-01 3.68 -2.641054393e-01 -2.641054393e-01 3.70 -2.553681357e-01 -2.553681357e-01 3.72 -2.469518318e-01 -2.469518318e-01 3.74 -2.388503901e-01 -2.388503901e-01 3.76 -2.310575413e-01 -2.310575413e-01 3.78 -2.235668036e-01 -2.235668036e-01 3.80 -2.163714013e-01 -2.163714013e-01 3.82 -2.094641833e-01 -2.094641833e-01 3.84 -2.028375410e-01 -2.028375410e-01 3.86 -1.964833270e-01 -1.964833270e-01 3.88 -1.903927728e-01 -1.903927728e-01 3.90 -1.845564069e-01 -1.845564069e-01 3.92 -1.789639728e-01 -1.789639728e-01 3.94 -1.736043474e-01 -1.736043474e-01 3.96 -1.684654590e-01 -1.684654590e-01 3.98 -1.635342059e-01 -1.635342059e-01 4.00 -1.587963747e-01 -1.587963747e-01 4.02 -1.542365587e-01 -1.542365587e-01 4.04 -1.498380776e-01 -1.498380776e-01 4.06 -1.455847078e-01 -1.455847078e-01 4.08 -1.414685888e-01 -1.414685888e-01 4.10 -1.374848547e-01 -1.374848547e-01 4.12 -1.336288223e-01 -1.336288223e-01 4.14 -1.298959838e-01 -1.298959838e-01 4.16 -1.262820000e-01 -1.262820000e-01 4.18 -1.227826940e-01 -1.227826940e-01 4.20 -1.193940452e-01 -1.193940452e-01 4.22 -1.161121834e-01 -1.161121834e-01 4.24 -1.129333829e-01 -1.129333829e-01 4.26 -1.098540573e-01 -1.098540573e-01 4.28 -1.068707541e-01 -1.068707541e-01 4.30 -1.039801495e-01 -1.039801495e-01 4.32 -1.011790434e-01 -1.011790434e-01 4.34 -9.846435485e-02 -9.846435485e-02 4.36 -9.583311730e-02 -9.583311730e-02 4.38 -9.328247427e-02 -9.328247427e-02 4.40 -9.080967508e-02 -9.080967508e-02 4.42 -8.841207072e-02 -8.841207072e-02 4.44 -8.608710998e-02 -8.608710998e-02 4.46 -8.383233562e-02 -8.383233562e-02 4.48 -8.164509130e-02 -8.164509130e-02 4.50 -7.952170335e-02 -7.952170335e-02 4.52 -7.745844905e-02 -7.745844905e-02 4.54 -7.545185503e-02 -7.545185503e-02 4.56 -7.349868857e-02 -7.349868857e-02 4.58 -7.159594893e-02 -7.159594893e-02 4.60 -6.974085879e-02 -6.974085879e-02 4.62 -6.793085577e-02 -6.793085577e-02 4.64 -6.616358401e-02 -6.616358401e-02 4.66 -6.443688584e-02 -6.443688584e-02 4.68 -6.274879351e-02 -6.274879351e-02 4.70 -6.109752098e-02 -6.109752098e-02 4.72 -5.948145580e-02 -5.948145580e-02 4.74 -5.789915103e-02 -5.789915103e-02 4.76 -5.634931726e-02 -5.634931726e-02 4.78 -5.483081459e-02 -5.483081459e-02 4.80 -5.334264480e-02 -5.334264480e-02 4.82 -5.188394349e-02 -5.188394349e-02 4.84 -5.045397227e-02 -5.045397227e-02 4.86 -4.905211105e-02 -4.905211105e-02 4.88 -4.767785034e-02 -4.767785034e-02 4.90 -4.633078360e-02 -4.633078360e-02 4.92 -4.501059963e-02 -4.501059963e-02 4.94 -4.371707506e-02 -4.371707506e-02 4.96 -4.245006678e-02 -4.245006678e-02 4.98 -4.120950449e-02 -4.120950449e-02 5.00 -3.999538327e-02 -3.999538327e-02 5.02 -3.880775618e-02 -3.880775618e-02 5.04 -3.764672685e-02 -3.764672685e-02 5.06 -3.651244222e-02 -3.651244222e-02 5.08 -3.540508518e-02 -3.540508518e-02 5.10 -3.432486734e-02 -3.432486734e-02 5.12 -3.327202178e-02 -3.327202178e-02 5.14 -3.224679581e-02 -3.224679581e-02 5.16 -3.124941191e-02 -3.124941191e-02 5.18 -3.027937688e-02 -3.027937688e-02 5.20 -2.933555387e-02 -2.933555387e-02 5.22 -2.841688883e-02 -2.841688883e-02 5.24 -2.752243244e-02 -2.752243244e-02 5.26 -2.665132940e-02 -2.665132940e-02 5.28 -2.580280769e-02 -2.580280769e-02 5.30 -2.497616786e-02 -2.497616786e-02 5.32 -2.417077236e-02 -2.417077236e-02 5.34 -2.338603475e-02 -2.338603475e-02 5.36 -2.262140904e-02 -2.262140904e-02 5.38 -2.187637895e-02 -2.187637895e-02 5.40 -2.115044722e-02 -2.115044722e-02 5.42 -2.044312485e-02 -2.044312485e-02 5.44 -1.975392043e-02 -1.975392043e-02 5.46 -1.908232940e-02 -1.908232940e-02 5.48 -1.842782333e-02 -1.842782333e-02 5.50 -1.778983923e-02 -1.778983923e-02 5.52 -1.716776881e-02 -1.716776881e-02 5.54 -1.656094778e-02 -1.656094778e-02 5.56 -1.596864512e-02 -1.596864512e-02 5.58 -1.539005238e-02 -1.539005238e-02 5.60 -1.482427296e-02 -1.482427296e-02 5.62 -1.427031137e-02 -1.427031137e-02 5.64 -1.372706257e-02 -1.372706257e-02 5.66 -1.319330120e-02 -1.319330120e-02 5.68 -1.266767088e-02 -1.266767088e-02 5.70 -1.214867353e-02 -1.214867353e-02 5.72 -1.163466243e-02 -1.163466243e-02 5.74 -1.112454954e-02 -1.112454954e-02 5.76 -1.061872500e-02 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