# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1 # composition = AgCu3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 7.581569544e+02 nan nan 0.92 6.978206033e+02 nan nan 0.94 6.420847858e+02 nan nan 0.96 5.906091485e+02 nan nan 0.98 5.430778891e+02 6.696430684e+02 nan 1.00 4.991980244e+02 6.204799495e+02 nan 1.02 4.586977790e+02 5.747750350e+02 7.118196277e+02 1.04 4.213250838e+02 5.322917803e+02 6.611008312e+02 1.06 3.868461806e+02 4.928094680e+02 6.138372809e+02 1.08 3.550443216e+02 4.561221701e+02 5.698007951e+02 1.10 3.257185612e+02 4.220377743e+02 5.287778786e+02 1.12 2.986826305e+02 3.903770742e+02 4.905687982e+02 1.14 2.737638907e+02 3.609729202e+02 4.549867171e+02 1.16 2.508023598e+02 3.336694222e+02 4.218568795e+02 1.18 2.296498071e+02 3.083212069e+02 3.910158476e+02 1.20 2.101689110e+02 2.847927221e+02 3.623107870e+02 1.22 1.922324761e+02 2.629575859e+02 3.355987927e+02 1.24 1.757227051e+02 2.426979793e+02 3.107462605e+02 1.26 1.605305215e+02 2.239040776e+02 2.876282961e+02 1.28 1.465549410e+02 2.064735190e+02 2.661281598e+02 1.30 1.337024863e+02 1.903109084e+02 2.461367482e+02 1.32 1.218866435e+02 1.753273527e+02 2.275521062e+02 1.34 1.110273570e+02 1.614400273e+02 2.102789698e+02 1.36 1.010505603e+02 1.485717713e+02 1.942283391e+02 1.38 9.188773978e+01 1.366507075e+02 1.793170755e+02 1.40 8.347552983e+01 1.256098896e+02 1.654675260e+02 1.42 7.575533653e+01 1.153869711e+02 1.526071706e+02 1.44 6.867298831e+01 1.059238963e+02 1.406682914e+02 1.46 6.217841148e+01 9.716661178e+01 1.295876631e+02 1.48 5.622532904e+01 8.906479727e+01 1.193062629e+02 1.50 5.077098101e+01 8.157161326e+01 1.097689983e+02 1.52 4.577586490e+01 7.464346649e+01 1.009244526e+02 1.54 4.120349478e+01 6.823979008e+01 9.272464615e+01 1.56 3.702017774e+01 6.232283857e+01 8.512481288e+01 1.58 3.319480652e+01 5.685749671e+01 7.808319125e+01 1.60 2.969866700e+01 5.181110056e+01 7.156082786e+01 1.62 2.650525982e+01 4.715327080e+01 6.552139410e+01 1.64 2.359013479e+01 4.285575708e+01 5.993101448e+01 1.66 2.093073742e+01 3.889229260e+01 5.475810542e+01 1.68 1.850626658e+01 3.523845859e+01 4.997322494e+01 1.70 1.629754261e+01 3.187155775e+01 4.554893167e+01 1.72 1.428688502e+01 2.877049613e+01 4.145965279e+01 1.74 1.245799915e+01 2.591567305e+01 3.768156084e+01 1.76 1.079587120e+01 2.328887831e+01 3.419245806e+01 1.78 9.286670947e+00 2.087319628e+01 3.097166833e+01 1.80 7.917661612e+00 1.865291661e+01 2.799993626e+01 1.82 6.677116442e+00 1.661345075e+01 2.525933244e+01 1.84 5.554241419e+00 1.474125427e+01 2.273316511e+01 1.86 4.539103731e+00 1.302375436e+01 2.040589754e+01 1.88 3.622565538e+00 1.144928223e+01 1.826307056e+01 1.90 2.796222693e+00 1.000701013e+01 1.629123040e+01 1.92 2.052348031e+00 8.686892654e+00 1.447786105e+01 1.94 1.383838895e+00 7.479611938e+00 1.281132109e+01 1.96 7.841686132e-01 6.376526774e+00 1.128078473e+01 1.98 2.473416148e-01 5.369625024e+00 9.876186565e+00 2.00 -2.321480746e-01 4.451479351e+00 8.588170055e+00 2.02 -6.593551892e-01 3.615206042e+00 7.408039422e+00 2.04 -1.038918690e+00 2.854426536e+00 6.327714599e+00 2.06 -1.375094528e+00 2.163231685e+00 5.339689250e+00 2.08 -1.671785918e+00 1.536148463e+00 4.436991566e+00 2.10 -1.932571310e+00 9.681089144e-01 3.613147571e+00 2.12 -2.160730206e+00 4.544213171e-01 2.862146968e+00 2.14 -2.359267009e+00 -9.256691874e-03 2.178411210e+00 2.16 -2.530933038e+00 -4.269431501e-01 1.556763660e+00 2.18 -2.678246840e+00 -8.023550086e-01 9.924018392e-01 2.20 -2.803512935e+00 -1.138929807e+00 4.808714454e-01 2.22 -2.908839114e+00 -1.439845822e+00 1.804213787e-02 2.24 -2.996152377e+00 -1.708040778e+00 -3.999150060e-01 2.26 -3.067213648e+00 -1.946229303e+00 -7.765485898e-01 2.28 -3.123631328e+00 -2.156919119e+00 -1.115146523e+00 2.30 -3.166873786e+00 -2.342426101e+00 -1.418754317e+00 2.32 -3.198280872e+00 -2.504888300e+00 -1.690192186e+00 2.34 -3.219074523e+00 -2.646278947e+00 -1.932070934e+00 2.36 -3.230368524e+00 -2.768418549e+00 -2.146806786e+00 2.38 -3.233177500e+00 -2.872986143e+00 -2.336635217e+00 2.40 -3.228425191e+00 -2.961529720e+00 -2.503623808e+00 2.42 -3.216952066e+00 -3.035475934e+00 -2.649684240e+00 2.44 -3.199522329e+00 -3.096139111e+00 -2.776583467e+00 2.46 -3.176830356e+00 -3.144729602e+00 -2.885954096e+00 2.48 -3.149506623e+00 -3.182361558e+00 -2.979304083e+00 2.50 -3.118123146e+00 -3.210060132e+00 -3.058025730e+00 2.52 -3.083198480e+00 -3.228768161e+00 -3.123404069e+00 2.54 -3.045202320e+00 -3.239352384e+00 -3.176624670e+00 2.56 -3.004559714e+00 -3.242609184e+00 -3.218780891e+00 2.58 -2.961654937e+00 -3.239269937e+00 -3.250880627e+00 2.60 -2.916835043e+00 -3.230005956e+00 -3.273852591e+00 2.62 -2.870413129e+00 -3.215433085e+00 -3.288552142e+00 2.64 -2.822671320e+00 -3.196115950e+00 -3.295766713e+00 2.66 -2.773863513e+00 -3.172571905e+00 -3.296220852e+00 2.68 -2.724217886e+00 -3.145274676e+00 -3.290580902e+00 2.70 -2.673939200e+00 -3.114657758e+00 -3.279459351e+00 2.72 -2.623210906e+00 -3.081117535e+00 -3.263418877e+00 2.74 -2.572197070e+00 -3.045016188e+00 -3.242976091e+00 2.76 -2.521044144e+00 -3.006684381e+00 -3.218605028e+00 2.78 -2.469882574e+00 -2.966423743e+00 -3.190740372e+00 2.80 -2.418828277e+00 -2.924509168e+00 -3.159780460e+00 2.82 -2.367983992e+00 -2.881190943e+00 -3.126090059e+00 2.84 -2.317440509e+00 -2.836696714e+00 -3.090002948e+00 2.86 -2.267277797e+00 -2.791233304e+00 -3.051824312e+00 2.88 -2.217566024e+00 -2.744988393e+00 -3.011832955e+00 2.90 -2.168366503e+00 -2.698132073e+00 -2.970283357e+00 2.92 -2.119732537e+00 -2.650818279e+00 -2.927407577e+00 2.94 -2.071710202e+00 -2.603186116e+00 -2.883417014e+00 2.96 -2.024339056e+00 -2.555361081e+00 -2.838504045e+00 2.98 -1.977652781e+00 -2.507456192e+00 -2.792843530e+00 3.00 -1.931679776e+00 -2.459573027e+00 -2.746594211e+00 3.02 -1.886443683e+00 -2.411802687e+00 -2.699900010e+00 3.04 -1.841963880e+00 -2.364226679e+00 -2.652891221e+00 3.06 -1.798255918e+00 -2.316917736e+00 -2.605685616e+00 3.08 -1.755331923e+00 -2.269940562e+00 -2.558389472e+00 3.10 -1.713200955e+00 -2.223352533e+00 -2.511098509e+00 3.12 -1.671869346e+00 -2.177204327e+00 -2.463898768e+00 3.14 -1.631340989e+00 -2.131540517e+00 -2.416867414e+00 3.16 -1.591617612e+00 -2.086400104e+00 -2.370073477e+00 3.18 -1.552699026e+00 -2.041817022e+00 -2.323578544e+00 3.20 -1.514583338e+00 -1.997820587e+00 -2.277437387e+00 3.22 -1.477267157e+00 -1.954435921e+00 -2.231698546e+00 3.24 -1.440745774e+00 -1.911684333e+00 -2.186404871e+00 3.26 -1.405013319e+00 -1.869583679e+00 -2.141594013e+00 3.28 -1.370062914e+00 -1.828148678e+00 -2.097298881e+00 3.30 -1.335886801e+00 -1.787391217e+00 -2.053548063e+00 3.32 -1.302476459e+00 -1.747320620e+00 -2.010366211e+00 3.34 -1.269822716e+00 -1.707943899e+00 -1.967774397e+00 3.36 -1.237915840e+00 -1.669265982e+00 -1.925790439e+00 3.38 -1.206745624e+00 -1.631289922e+00 -1.884429202e+00 3.40 -1.176301467e+00 -1.594017092e+00 -1.843702869e+00 3.42 -1.146572438e+00 -1.557447355e+00 -1.803621201e+00 3.44 -1.117547341e+00 -1.521579228e+00 -1.764191765e+00 3.46 -1.089214765e+00 -1.486410025e+00 -1.725420144e+00 3.48 -1.061563136e+00 -1.451935993e+00 -1.687310137e+00 3.50 -1.034580759e+00 -1.418152430e+00 -1.649863936e+00 3.52 -1.008255856e+00 -1.385053800e+00 -1.613082285e+00 3.54 -9.825766003e-01 -1.352633827e+00 -1.576964636e+00 3.56 -9.575311442e-01 -1.320885596e+00 -1.541509281e+00 3.58 -9.331076477e-01 -1.289801624e+00 -1.506713478e+00 3.60 -9.092943003e-01 -1.259373947e+00 -1.472573565e+00 3.62 -8.860793410e-01 -1.229594181e+00 -1.439085064e+00 3.64 -8.634510759e-01 -1.200453587e+00 -1.406242774e+00 3.66 -8.413978935e-01 -1.171943125e+00 -1.374040859e+00 3.68 -8.199082772e-01 -1.144053505e+00 -1.342472927e+00 3.70 -7.989708170e-01 -1.116775236e+00 -1.311532098e+00 3.72 -7.785742187e-01 -1.090098663e+00 -1.281211071e+00 3.74 -7.587073121e-01 -1.064014004e+00 -1.251502183e+00 3.76 -7.393590573e-01 -1.038511387e+00 -1.222397460e+00 3.78 -7.205185503e-01 -1.013580875e+00 -1.193888668e+00 3.80 -7.021750277e-01 -9.892124967e-01 -1.165967355e+00 3.82 -6.843178694e-01 -9.653962671e-01 -1.138624888e+00 3.84 -6.669366019e-01 -9.421222108e-01 -1.111852493e+00 3.86 -6.500208994e-01 -9.193803798e-01 -1.085641283e+00 3.88 -6.335605856e-01 -8.971608703e-01 -1.059982289e+00 3.90 -6.175456335e-01 -8.754538375e-01 -1.034866485e+00 3.92 -6.019661658e-01 -8.542495082e-01 -1.010284810e+00 3.94 -5.868124544e-01 -8.335381923e-01 -9.862281895e-01 3.96 -5.720749189e-01 -8.133102927e-01 -9.626875535e-01 3.98 -5.577441258e-01 -7.935563136e-01 -9.396538532e-01 4.00 -5.438107863e-01 -7.742668678e-01 -9.171180753e-01 4.02 -5.302350229e-01 -7.554326833e-01 -8.950712544e-01 4.04 -5.173898976e-01 -7.370446081e-01 -8.735044847e-01 4.06 -5.155111843e-01 -7.190936148e-01 -8.524089297e-01 4.08 -5.225324756e-01 -7.015708044e-01 -8.317758306e-01 4.10 -5.112363108e-01 -6.844674086e-01 -8.115965145e-01 4.12 -5.001743020e-01 -6.677747928e-01 -7.918623999e-01 4.14 -4.892817609e-01 -6.514844572e-01 -7.725650033e-01 4.16 -4.785534932e-01 -6.355880384e-01 -7.536959432e-01 4.18 -4.679849691e-01 -6.200773097e-01 -7.352469444e-01 4.20 -4.575723111e-01 -6.049441817e-01 -7.172098413e-01 4.22 -4.473122759e-01 -5.901807023e-01 -6.995765806e-01 4.24 -4.372022296e-01 -5.757790561e-01 -6.823392237e-01 4.26 -4.272401173e-01 -5.616539416e-01 -6.654899479e-01 4.28 -4.174244265e-01 -5.462454665e-01 -6.490210484e-01 4.30 -4.077541454e-01 -5.253724197e-01 -6.329249385e-01 4.32 -3.982287160e-01 -4.979542241e-01 -6.171941508e-01 4.34 -3.888479839e-01 -4.816882662e-01 -6.018213368e-01 4.36 -3.796121444e-01 -4.702040883e-01 -5.867992678e-01 4.38 -3.705216868e-01 -4.590109329e-01 -5.721208335e-01 4.40 -3.611913206e-01 -4.481022389e-01 -5.577790428e-01 4.42 -3.446630325e-01 -4.374715724e-01 -5.437670223e-01 4.44 -2.979317463e-01 -4.271126233e-01 -5.300780158e-01 4.46 -1.662279563e-01 -4.170192028e-01 -5.167053836e-01 4.48 -1.159969466e-01 -4.071852398e-01 -5.036426012e-01 4.50 -1.129379494e-01 -3.976047775e-01 -4.908832583e-01 4.52 -1.099602164e-01 -3.882719709e-01 -4.784210577e-01 4.54 -1.070614893e-01 -3.791810828e-01 -4.662498138e-01 4.56 -1.042395773e-01 -3.703264804e-01 -4.543634516e-01 4.58 -1.014923553e-01 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