# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = CoCu # 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 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 -4.467864428e+02 -4.467864428e+02 nan nan 0.82 nan nan nan nan -4.133890391e+02 -4.133890391e+02 nan nan 0.84 nan nan nan nan -3.806964330e+02 -3.806964330e+02 nan nan 0.86 nan nan nan nan -3.501030667e+02 -3.501030667e+02 nan nan 0.88 nan nan nan nan -3.224071201e+02 -3.224071201e+02 nan nan 0.90 -4.903406283e+02 -4.903406283e+02 nan nan -2.987092786e+02 -2.987092786e+02 nan nan 0.92 -4.581459933e+02 -4.581459933e+02 nan nan -2.779058609e+02 -2.779058609e+02 nan nan 0.94 -4.261459120e+02 -4.261459120e+02 nan nan -2.568331064e+02 -2.568331064e+02 nan nan 0.96 -3.948672664e+02 -3.948672664e+02 nan nan -2.350697876e+02 -2.350697876e+02 nan nan 0.98 -3.672070214e+02 -3.672070214e+02 nan nan -2.142642408e+02 -2.142642408e+02 nan nan 1.00 -3.435329182e+02 -3.435329182e+02 nan nan -1.950796324e+02 -1.950796324e+02 nan nan 1.02 -3.220860587e+02 -3.220860587e+02 -4.301332136e+02 -4.301332136e+02 -1.773569292e+02 -1.773569292e+02 -4.549312503e+02 -4.549312503e+02 1.04 -3.024820854e+02 -3.024820854e+02 -4.072248563e+02 -4.072248563e+02 -1.608079070e+02 -1.608079070e+02 -4.299405981e+02 -4.299405981e+02 1.06 -2.847991630e+02 -2.847991630e+02 -3.849532714e+02 -3.849532714e+02 -1.453384653e+02 -1.453384653e+02 -4.060492942e+02 -4.060492942e+02 1.08 -2.675953195e+02 -2.675953195e+02 -3.639939178e+02 -3.639939178e+02 -1.311665398e+02 -1.311665398e+02 -3.825765235e+02 -3.825765235e+02 1.10 -2.501851639e+02 -2.501851639e+02 -3.438725227e+02 -3.438725227e+02 -1.181542493e+02 -1.181542493e+02 -3.591971840e+02 -3.591971840e+02 1.12 -2.338354381e+02 -2.338354381e+02 -3.235968803e+02 -3.235968803e+02 -1.058506262e+02 -1.058506262e+02 -3.365527000e+02 -3.365527000e+02 1.14 -2.197057414e+02 -2.197057414e+02 -3.032034396e+02 -3.032034396e+02 -9.454267891e+01 -9.454267891e+01 -3.157284741e+02 -3.157284741e+02 1.16 -2.076612228e+02 -2.076612228e+02 -2.831559334e+02 -2.831559334e+02 -8.499389694e+01 -8.499389694e+01 -2.972873794e+02 -2.972873794e+02 1.18 -1.966351680e+02 -1.966351680e+02 -2.645082364e+02 -2.645082364e+02 -7.766645183e+01 -7.766645183e+01 -2.809646663e+02 -2.809646663e+02 1.20 -1.856163630e+02 -1.856163630e+02 -2.485730603e+02 -2.485730603e+02 -7.256503676e+01 -7.256503676e+01 -2.661117193e+02 -2.661117193e+02 1.22 -1.743879207e+02 -1.743879207e+02 -2.353021420e+02 -2.353021420e+02 -6.916859716e+01 -6.916859716e+01 -2.523076583e+02 -2.523076583e+02 1.24 -1.632940049e+02 -1.632940049e+02 -2.234098279e+02 -2.234098279e+02 -6.637242305e+01 -6.637242305e+01 -2.395239236e+02 -2.395239236e+02 1.26 -1.524975439e+02 -1.524975439e+02 -2.121003246e+02 -2.121003246e+02 -6.322291233e+01 -6.322291233e+01 -2.276595370e+02 -2.276595370e+02 1.28 -1.417411609e+02 -1.417411609e+02 -2.015140549e+02 -2.015140549e+02 -5.951725285e+01 -5.951725285e+01 -2.163049053e+02 -2.163049053e+02 1.30 -1.306412307e+02 -1.306412307e+02 -1.916437355e+02 -1.916437355e+02 -5.554456013e+01 -5.554456013e+01 -2.050330149e+02 -2.050330149e+02 1.32 -1.189866599e+02 -1.189866599e+02 -1.819897826e+02 -1.819897826e+02 -5.154152091e+01 -5.154152091e+01 -1.938321425e+02 -1.938321425e+02 1.34 -1.068911880e+02 -1.068911880e+02 -1.721489089e+02 -1.721489089e+02 -4.744311247e+01 -4.744311247e+01 -1.829306560e+02 -1.829306560e+02 1.36 -9.499970078e+01 -9.499970078e+01 -1.624578588e+02 -1.624578588e+02 -4.321105029e+01 -4.321105029e+01 -1.724190943e+02 -1.724190943e+02 1.38 -8.414159674e+01 -8.414159674e+01 -1.535725223e+02 -1.535725223e+02 -3.904761609e+01 -3.904761609e+01 -1.623858044e+02 -1.623858044e+02 1.40 -7.489993243e+01 -7.489993243e+01 -1.456635002e+02 -1.456635002e+02 -3.519665051e+01 -3.519665051e+01 -1.531480989e+02 -1.531480989e+02 1.42 -6.735398693e+01 -6.735398693e+01 -1.382477355e+02 -1.382477355e+02 -3.168352813e+01 -3.168352813e+01 -1.449462652e+02 -1.449462652e+02 1.44 -6.111937779e+01 -6.111937779e+01 -1.307845924e+02 -1.307845924e+02 -2.838066675e+01 -2.838066675e+01 -1.375901041e+02 -1.375901041e+02 1.46 -5.554389707e+01 -5.554389707e+01 -1.230431366e+02 -1.230431366e+02 -2.506600186e+01 -2.506600186e+01 -1.305485253e+02 -1.305485253e+02 1.48 -5.015160500e+01 -5.015160500e+01 -1.151378958e+02 -1.151378958e+02 -2.152893046e+01 -2.152893046e+01 -1.234240825e+02 -1.234240825e+02 1.50 -4.488698764e+01 -4.488698764e+01 -1.073401632e+02 -1.073401632e+02 -1.770097541e+01 -1.770097541e+01 -1.161357871e+02 -1.161357871e+02 1.52 -3.990169749e+01 -3.990169749e+01 -9.988297576e+01 -9.988297576e+01 -1.392600242e+01 -1.392600242e+01 -1.087530383e+02 -1.087530383e+02 1.54 -3.533651966e+01 -3.533651966e+01 -9.281669772e+01 -9.281669772e+01 -1.038096902e+01 -1.038096902e+01 -1.013139206e+02 -1.013139206e+02 1.56 -3.127987801e+01 -3.127987801e+01 -8.588508097e+01 -8.588508097e+01 -7.458835781e+00 -7.458835781e+00 -9.382847021e+01 -9.382847021e+01 1.58 -2.777946847e+01 -2.777946847e+01 -7.860258957e+01 -7.860258957e+01 -5.262072114e+00 -5.262072114e+00 -8.635009314e+01 -8.635009314e+01 1.60 -2.483265569e+01 -2.483265569e+01 -7.057280127e+01 -7.057280127e+01 -3.601495662e+00 -3.601495662e+00 -7.891731791e+01 -7.891731791e+01 1.62 -2.231226601e+01 -2.231226601e+01 -6.184461454e+01 -6.184461454e+01 -2.379148597e+00 -2.379148597e+00 -7.149615984e+01 -7.149615984e+01 1.64 -2.004084936e+01 -2.004084936e+01 -5.288662093e+01 -5.288662093e+01 -1.540858320e+00 -1.540858320e+00 -6.403454313e+01 -6.403454313e+01 1.66 -1.790557559e+01 -1.790557559e+01 -4.422729209e+01 -4.422729209e+01 -1.004497372e+00 -1.004497372e+00 -5.656501630e+01 -5.656501630e+01 1.68 -1.587492253e+01 -1.587492253e+01 -3.616187769e+01 -3.616187769e+01 -6.615091313e-01 -6.615091313e-01 -4.922814993e+01 -4.922814993e+01 1.70 -1.399382161e+01 -1.399382161e+01 -2.876986675e+01 -2.876986675e+01 -4.166031748e-01 -4.166031748e-01 -4.219151206e+01 -4.219151206e+01 1.72 -1.219724780e+01 -1.219724780e+01 -2.211101178e+01 -2.211101178e+01 -2.676662265e-01 -2.676662265e-01 -3.554364820e+01 -3.554364820e+01 1.74 -1.040757309e+01 -1.040757309e+01 -1.627093337e+01 -1.627093337e+01 -2.296506670e-01 -2.296506670e-01 -2.927433547e+01 -2.927433547e+01 1.76 -8.762099987e+00 -8.762099987e+00 -1.126950483e+01 -1.126950483e+01 -2.530416213e-01 -2.530416213e-01 -2.331166028e+01 -2.331166028e+01 1.78 -7.335853671e+00 -7.335853671e+00 -7.161918867e+00 -7.161918867e+00 -2.996742076e-01 -2.996742076e-01 -1.761906359e+01 -1.761906359e+01 1.80 -6.088832863e+00 -6.088832863e+00 -4.317340138e+00 -4.317340138e+00 -3.494277290e-01 -3.494277290e-01 -1.225756742e+01 -1.225756742e+01 1.82 -4.949360899e+00 -4.949360899e+00 -2.344320730e+00 -2.344320730e+00 -3.997270869e-01 -3.997270869e-01 -7.625500138e+00 -7.625500138e+00 1.84 -3.899662530e+00 -3.899662530e+00 -9.816325044e-01 -9.816325044e-01 -4.518808803e-01 -4.518808803e-01 -4.118816069e+00 -4.118816069e+00 1.86 -2.986044828e+00 -2.986044828e+00 -1.088148153e-01 -1.088148153e-01 -5.074343240e-01 -5.074343240e-01 -1.817527160e+00 -1.817527160e+00 1.88 -2.259259889e+00 -2.259259889e+00 3.684900394e-01 3.684900394e-01 -5.693114294e-01 -5.693114294e-01 -3.952775589e-01 -3.952775589e-01 1.90 -1.729776865e+00 -1.729776865e+00 5.541219638e-01 5.541219638e-01 -6.397192513e-01 -6.397192513e-01 4.040428223e-01 4.040428223e-01 1.92 -1.375326695e+00 -1.375326695e+00 5.467471287e-01 5.467471287e-01 -7.187177192e-01 -7.187177192e-01 7.626539092e-01 7.626539092e-01 1.94 -1.165410916e+00 -1.165410916e+00 4.164101576e-01 4.164101576e-01 -8.050558760e-01 -8.050558760e-01 8.215331877e-01 8.215331877e-01 1.96 -1.071120800e+00 -1.071120800e+00 2.032975728e-01 2.032975728e-01 -8.975028958e-01 -8.975028958e-01 6.885480289e-01 6.885480289e-01 1.98 -1.057897623e+00 -1.057897623e+00 -6.788237917e-02 -6.788237917e-02 -9.959012347e-01 -9.959012347e-01 4.443922774e-01 4.443922774e-01 2.00 -1.085105339e+00 -1.085105339e+00 -3.785013101e-01 -3.785013101e-01 -1.100296262e+00 -1.100296262e+00 1.457237203e-01 1.457237203e-01 2.02 -1.157200443e+00 -1.157200443e+00 -7.141316159e-01 -7.141316159e-01 -1.210478916e+00 -1.210478916e+00 -1.725822149e-01 -1.725822149e-01 2.04 -1.312252571e+00 -1.312252571e+00 -1.064415613e+00 -1.064415613e+00 -1.325550784e+00 -1.325550784e+00 -4.945501479e-01 -4.945501479e-01 2.06 -1.530166126e+00 -1.530166126e+00 -1.420890520e+00 -1.420890520e+00 -1.443944880e+00 -1.443944880e+00 -8.155264406e-01 -8.155264406e-01 2.08 -1.771773436e+00 -1.771773436e+00 -1.775040900e+00 -1.775040900e+00 -1.563704441e+00 -1.563704441e+00 -1.133480255e+00 -1.133480255e+00 2.10 -2.006513399e+00 -2.006513399e+00 -2.116664023e+00 -2.116664023e+00 -1.682591884e+00 -1.682591884e+00 -1.445028571e+00 -1.445028571e+00 2.12 -2.219461654e+00 -2.219461654e+00 -2.433781030e+00 -2.433781030e+00 -1.798040477e+00 -1.798040477e+00 -1.745516167e+00 -1.745516167e+00 2.14 -2.411832545e+00 -2.411832545e+00 -2.715135875e+00 -2.715135875e+00 -1.907215699e+00 -1.907215699e+00 -2.030229530e+00 -2.030229530e+00 2.16 -2.586021257e+00 -2.586021257e+00 -2.953245021e+00 -2.953245021e+00 -2.007289140e+00 -2.007289140e+00 -2.296033562e+00 -2.296033562e+00 2.18 -2.743324431e+00 -2.743324431e+00 -3.146024097e+00 -3.146024097e+00 -2.095909009e+00 -2.095909009e+00 -2.540561884e+00 -2.540561884e+00 2.20 -2.883281041e+00 -2.883281041e+00 -3.295979121e+00 -3.295979121e+00 -2.171584147e+00 -2.171584147e+00 -2.761305897e+00 -2.761305897e+00 2.22 -3.004964456e+00 -3.004964456e+00 -3.408734431e+00 -3.408734431e+00 -2.234158688e+00 -2.234158688e+00 -2.957017723e+00 -2.957017723e+00 2.24 -3.109013731e+00 -3.109013731e+00 -3.491115355e+00 -3.491115355e+00 -2.285182040e+00 -2.285182040e+00 -3.130262782e+00 -3.130262782e+00 2.26 -3.196514893e+00 -3.196514893e+00 -3.548426308e+00 -3.548426308e+00 -2.326323798e+00 -2.326323798e+00 -3.283720220e+00 -3.283720220e+00 2.28 -3.269109266e+00 -3.269109266e+00 -3.588176927e+00 -3.588176927e+00 -2.358892741e+00 -2.358892741e+00 -3.418662796e+00 -3.418662796e+00 2.30 -3.328495439e+00 -3.328495439e+00 -3.617599240e+00 -3.617599240e+00 -2.383865460e+00 -2.383865460e+00 -3.535576994e+00 -3.535576994e+00 2.32 -3.376190773e+00 -3.376190773e+00 -3.643250306e+00 -3.643250306e+00 -2.401973803e+00 -2.401973803e+00 -3.634862941e+00 -3.634862941e+00 2.34 -3.413258051e+00 -3.413258051e+00 -3.669523200e+00 -3.669523200e+00 -2.413953385e+00 -2.413953385e+00 -3.717143044e+00 -3.717143044e+00 2.36 -3.440340206e+00 -3.440340206e+00 -3.697471476e+00 -3.697471476e+00 -2.420610050e+00 -2.420610050e+00 -3.783659975e+00 -3.783659975e+00 2.38 -3.457585073e+00 -3.457585073e+00 -3.727702429e+00 -3.727702429e+00 -2.422703187e+00 -2.422703187e+00 -3.836582652e+00 -3.836582652e+00 2.40 -3.464739983e+00 -3.464739983e+00 -3.759475491e+00 -3.759475491e+00 -2.420839267e+00 -2.420839267e+00 -3.878392671e+00 -3.878392671e+00 2.42 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-3.225568754e+00 -3.225568754e+00 -3.827649755e+00 -3.827649755e+00 -2.320499733e+00 -2.320499733e+00 -3.934722162e+00 -3.934722162e+00 2.58 -3.179050643e+00 -3.179050643e+00 -3.806366942e+00 -3.806366942e+00 -2.298683285e+00 -2.298683285e+00 -3.913357432e+00 -3.913357432e+00 2.60 -3.131859660e+00 -3.131859660e+00 -3.780425281e+00 -3.780425281e+00 -2.274247031e+00 -2.274247031e+00 -3.886216056e+00 -3.886216056e+00 2.62 -3.084199561e+00 -3.084199561e+00 -3.750802314e+00 -3.750802314e+00 -2.247273239e+00 -2.247273239e+00 -3.853938253e+00 -3.853938253e+00 2.64 -3.036371519e+00 -3.036371519e+00 -3.718488666e+00 -3.718488666e+00 -2.217903215e+00 -2.217903215e+00 -3.817338566e+00 -3.817338566e+00 2.66 -2.988652460e+00 -2.988652460e+00 -3.684350799e+00 -3.684350799e+00 -2.186362425e+00 -2.186362425e+00 -3.777171345e+00 -3.777171345e+00 2.68 -2.941288991e+00 -2.941288991e+00 -3.648897790e+00 -3.648897790e+00 -2.153031460e+00 -2.153031460e+00 -3.734106154e+00 -3.734106154e+00 2.70 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