# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2021--Agrawal-A-Mirzaeifar-R--Cu-C # implementation = 2021--Agrawal-A--Cu-C--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C C C Cu Cu Cu 0.02 -2.338574818e+03 -2.127446430e+03 1.066380755e+03 0.04 -2.094184972e+03 -1.957210890e+03 1.005096636e+03 0.06 -1.873071317e+03 -1.799836293e+03 9.472096123e+02 0.08 -1.673181449e+03 -1.654401287e+03 8.925363159e+02 0.10 -1.492633293e+03 -1.520047634e+03 8.409030605e+02 0.12 -1.329701602e+03 -1.395976033e+03 7.921453381e+02 0.14 -1.182805528e+03 -1.281442231e+03 7.461073443e+02 0.16 -1.050497122e+03 -1.175753371e+03 7.026415269e+02 0.18 -9.314506993e+02 -1.078264576e+03 6.616081572e+02 0.20 -8.244530587e+02 -9.883757597e+02 6.228749240e+02 0.22 -7.283944193e+02 -9.055286353e+02 5.863165475e+02 0.24 -6.422600698e+02 -8.292039169e+02 5.518144127e+02 0.26 -5.651226760e+02 -7.589187113e+02 5.192562234e+02 0.28 -4.961351609e+02 -6.942240665e+02 4.885356711e+02 0.30 -4.345241572e+02 -6.347026873e+02 4.595521231e+02 0.32 -3.795839690e+02 -5.799667998e+02 4.322103257e+02 0.34 -3.306709938e+02 -5.296561484e+02 4.064201225e+02 0.36 -2.871985977e+02 -4.834361312e+02 3.820961875e+02 0.38 -2.486323871e+02 -4.409960537e+02 3.591577720e+02 0.40 -2.144858491e+02 -4.020474959e+02 3.375284637e+02 0.42 -1.843163502e+02 -3.663227905e+02 3.171359594e+02 0.44 -1.577214408e+02 -3.335735981e+02 2.979118487e+02 0.46 -1.343354597e+02 -3.035695769e+02 2.797914086e+02 0.48 -1.138264140e+02 -2.760971430e+02 2.627134097e+02 0.50 -9.589310205e+01 -2.509583089e+02 2.466199313e+02 0.52 -8.026247412e+01 -2.279696017e+02 2.314561868e+02 0.54 -6.668720652e+01 -2.069610544e+02 2.171703579e+02 0.56 -5.494346814e+01 -1.877752605e+02 2.037134372e+02 0.58 -4.482887510e+01 -1.702664963e+02 1.910390794e+02 0.60 -3.616060977e+01 -1.542998994e+02 1.791034602e+02 0.62 -2.877369320e+01 -1.397507028e+02 1.678651415e+02 0.64 -2.251940446e+01 -1.265035219e+02 1.572849456e+02 0.66 -1.726382706e+01 -1.144516884e+02 1.473258340e+02 0.68 -1.288651761e+01 -1.034966288e+02 1.379527933e+02 0.70 -9.279288036e+00 -9.354728814e+01 1.291327277e+02 0.72 -6.345086624e+00 -8.451958882e+01 1.208343559e+02 0.74 -3.996976079e+00 -7.633592950e+01 1.130281144e+02 0.76 -2.157198320e+00 -6.892471752e+01 1.056860651e+02 0.78 -7.563171505e-01 -6.221993242e+01 9.878180851e+01 0.80 2.675631960e-01 -5.616072098e+01 9.229040066e+01 0.82 9.695133092e-01 -5.069101952e+01 8.618827523e+01 0.84 1.398432262e+00 -4.575920197e+01 8.045316908e+01 0.86 1.597642685e+00 -4.131775357e+01 7.506405220e+01 0.88 1.605435118e+00 -3.732296620e+01 7.000106101e+01 0.90 1.455563795e+00 -3.373465538e+01 6.524543532e+01 0.92 1.177697672e+00 -3.051589770e+01 6.077945876e+01 0.94 7.978323401e-01 -2.763278571e+01 5.658640204e+01 0.96 3.386639438e-01 -2.505420089e+01 5.265046946e+01 0.98 -1.800707810e-01 -2.275160264e+01 4.895674825e+01 1.00 -7.412848980e-01 -2.069883179e+01 4.549116044e+01 1.02 -1.330260968e+00 -1.887192873e+01 4.224041743e+01 1.04 -1.934396354e+00 -1.724896430e+01 3.919197696e+01 1.06 -2.542972222e+00 -1.580988263e+01 3.633400229e+01 1.08 -3.146944872e+00 -1.453635589e+01 3.365532364e+01 1.10 -3.738756450e+00 -1.341164902e+01 3.114540168e+01 1.12 -4.312164031e+00 -1.242049448e+01 2.879429288e+01 1.14 -4.862085527e+00 -1.154897644e+01 2.659261689e+01 1.16 -5.384460318e+00 -1.078442295e+01 2.453152549e+01 1.18 -5.876124001e+00 -1.011530646e+01 2.260267330e+01 1.20 -6.334695683e+00 -9.531151591e+00 2.079819005e+01 1.22 -6.758476527e+00 -9.022449653e+00 1.911065435e+01 1.24 -7.146358971e+00 -8.580579714e+00 1.753306882e+01 1.26 -7.497745288e+00 -8.197735517e+00 1.605883666e+01 1.28 -7.812474701e+00 -7.866857833e+00 1.468173937e+01 1.30 -8.090758486e+00 -7.581572127e+00 1.339591575e+01 1.32 -8.333121993e+00 -7.336130801e+00 1.219584206e+01 1.34 -8.540353149e+00 -7.125359912e+00 1.107631312e+01 1.36 -8.713456836e+00 -6.944610085e+00 1.003242463e+01 1.38 -8.853614412e+00 -6.789711068e+00 9.059556284e+00 1.40 -8.962148070e+00 -6.656929944e+00 8.153355901e+00 1.42 -9.040489472e+00 -6.542932612e+00 7.309724383e+00 1.44 -9.090152197e+00 -6.444748212e+00 6.524801487e+00 1.46 -9.112707739e+00 -6.359736490e+00 5.794952402e+00 1.48 -9.109764591e+00 -6.285557702e+00 5.116755053e+00 1.50 -9.082950140e+00 -6.220144927e+00 4.486988070e+00 1.52 -9.033895105e+00 -6.161678682e+00 3.902619467e+00 1.54 -8.964220203e+00 -6.108563552e+00 3.360795906e+00 1.56 -8.875524835e+00 -6.059406745e+00 2.858832557e+00 1.58 -8.769377588e+00 -6.012998473e+00 2.394203543e+00 1.60 -8.647308302e+00 -5.968293898e+00 1.964532872e+00 1.62 -8.510801578e+00 -5.924396645e+00 1.567585900e+00 1.64 -8.361291537e+00 -5.880543717e+00 1.201261263e+00 1.66 -8.200157684e+00 -5.836091661e+00 8.635832391e-01 1.68 -8.028721755e+00 -5.790503973e+00 5.526945523e-01 1.70 -7.848245414e+00 -5.743339587e+00 2.668495733e-01 1.72 -7.659928706e+00 -5.694242366e+00 4.407884599e-03 1.74 -7.464909158e+00 -5.642931558e+00 -2.361717713e-01 1.76 -7.264261448e+00 -5.589193083e+00 -4.563372271e-01 1.78 -7.058997553e+00 -5.532871634e+00 -6.574482991e-01 1.80 -6.850067326e+00 -5.473863504e+00 -8.407818811e-01 1.82 -6.638359414e+00 -5.412110078e+00 -1.007536772e+00 1.84 -6.424702482e+00 -5.347591946e+00 -1.158838218e+00 1.86 -6.209866681e+00 -5.280323588e+00 -1.295742201e+00 1.88 -5.994565319e+00 -5.210348562e+00 -1.419239495e+00 1.90 -5.779456696e+00 -5.137735192e+00 -1.530259478e+00 1.92 -5.565146072e+00 -5.062572672e+00 -1.629673742e+00 1.94 -5.352187725e+00 -4.984967581e+00 -1.718299493e+00 1.96 -5.141087090e+00 -4.905040766e+00 -1.796902756e+00 1.98 -4.932302936e+00 -4.822924547e+00 -1.866201398e+00 2.00 -4.726249577e+00 -4.738760241e+00 -1.926867992e+00 2.02 -4.523299089e+00 -4.652695960e+00 -1.979532492e+00 2.04 -4.323783520e+00 -4.564884662e+00 -2.024784780e+00 2.06 -4.127997084e+00 -4.475482431e+00 -2.063177058e+00 2.08 -3.936198318e+00 -4.384646976e+00 -2.095226092e+00 2.10 -3.748612202e+00 -4.292536314e+00 -2.121415351e+00 2.12 -3.565432231e+00 -4.199307630e+00 -2.142197000e+00 2.14 -3.386822432e+00 -4.105116294e+00 -2.157993790e+00 2.16 -3.212919314e+00 -4.010115017e+00 -2.169200838e+00 2.18 -3.043833765e+00 -3.914453147e+00 -2.176187301e+00 2.20 -2.879652869e+00 -3.818276065e+00 -2.179297954e+00 2.22 -2.720441659e+00 -3.721724703e+00 -2.178854680e+00 2.24 -2.566244799e+00 -3.624935142e+00 -2.175157865e+00 2.26 -2.417088187e+00 -3.528038303e+00 -2.168487722e+00 2.28 -2.272980493e+00 -3.431159715e+00 -2.159105528e+00 2.30 -2.133914610e+00 -3.334419345e+00 -2.147254798e+00 2.32 -1.999869051e+00 -3.237931492e+00 -2.133162381e+00 2.34 -1.870809255e+00 -3.141804738e+00 -2.117039496e+00 2.36 -1.746688835e+00 -3.046141940e+00 -2.099082711e+00 2.38 -1.627450751e+00 -2.951040272e+00 -2.079474856e+00 2.40 -1.513028417e+00 -2.856591300e+00 -2.058385886e+00 2.42 -1.403346739e+00 -2.762881087e+00 -2.035973693e+00 2.44 -1.298323095e+00 -2.669990335e+00 -2.012384874e+00 2.46 -1.197868250e+00 -2.577994543e+00 -1.987755439e+00 2.48 -1.101887208e+00 -2.486964191e+00 -1.962211497e+00 2.50 -1.010280011e+00 -2.396964942e+00 -1.935869883e+00 2.52 -9.229424833e-01 -2.308057855e+00 -1.908838756e+00 2.54 -8.397669221e-01 -2.220299610e+00 -1.881218162e+00 2.56 -7.606427351e-01 -2.133742752e+00 -1.853100558e+00 2.58 -6.854570339e-01 -2.048435925e+00 -1.824571307e+00 2.60 -6.140951795e-01 -1.964424125e+00 -1.795709145e+00 2.62 -5.464412855e-01 -1.881748950e+00 -1.766586614e+00 2.64 -4.823786786e-01 -1.800448844e+00 -1.737270474e+00 2.66 -4.217903219e-01 -1.720559349e+00 -1.707822087e+00 2.68 -3.645591994e-01 -1.642113344e+00 -1.678297779e+00 2.70 -3.105686672e-01 -1.565141280e+00 -1.648749175e+00 2.72 -2.597027711e-01 -1.489671407e+00 -1.619223522e+00 2.74 -2.118465331e-01 -1.415729986e+00 -1.589763983e+00 2.76 -1.668862098e-01 -1.343341492e+00 -1.560409919e+00 2.78 -1.247095224e-01 -1.272528795e+00 -1.531197149e+00 2.80 -8.520586252e-02 -1.203313328e+00 -1.502158196e+00 2.82 -4.826647299e-02 -1.135715234e+00 -1.473322519e+00 2.84 -1.378460752e-02 -1.069753486e+00 -1.444716725e+00 2.86 1.834433099e-02 -1.005445987e+00 -1.416364774e+00 2.88 4.822267126e-02 -9.428096395e-01 -1.388288167e+00 2.90 7.595037179e-02 -8.818603925e-01 -1.360506123e+00 2.92 1.016249363e-01 -8.226132529e-01 -1.333035744e+00 2.94 1.253413436e-01 -7.650822712e-01 -1.305892170e+00 2.96 1.471919923e-01 -7.092804940e-01 -1.279088724e+00 2.98 1.672666579e-01 -6.552198879e-01 -1.252637049e+00 3.00 1.856524621e-01 -6.029112325e-01 -1.226547230e+00 3.02 2.024338525e-01 -5.523639862e-01 -1.200827918e+00 3.04 2.176925932e-01 -5.035861258e-01 -1.175486438e+00 3.06 2.315077634e-01 -4.565839634e-01 -1.150528890e+00 3.08 2.439557648e-01 -4.113619450e-01 -1.125960249e+00 3.10 2.551103363e-01 -3.679224343e-01 -1.101784451e+00 3.12 2.650425753e-01 -3.262654880e-01 -1.078004482e+00 3.14 2.738209654e-01 -2.863886287e-01 -1.054622449e+00 3.16 2.815114088e-01 -2.482866204e-01 -1.031639659e+00 3.18 2.881772640e-01 -2.119512557e-01 -1.009056685e+00 3.20 2.938793875e-01 -1.773711591e-01 -9.868734268e-01 3.22 2.986761794e-01 -1.445316160e-01 -9.650891732e-01 3.24 3.026236316e-01 -1.134144309e-01 -9.437026540e-01 3.26 3.057753797e-01 -8.399782319e-02 -9.227120923e-01 3.28 3.081827563e-01 -5.625636418e-02 -9.021152512e-01 3.30 3.098948471e-01 -3.016096046e-02 -8.819094776e-01 3.32 3.109585478e-01 -5.678885580e-03 -8.620917433e-01 3.34 3.114186229e-01 1.722613753e-02 -8.426586825e-01 3.36 3.113177652e-01 3.859380375e-02 -8.236066269e-01 3.38 3.106966561e-01 5.846704358e-02 -8.049316380e-01 3.40 3.095940263e-01 7.689179418e-02 -7.866295377e-01 3.42 3.080467169e-01 9.391672781e-02 -7.686959353e-01 3.44 3.060897401e-01 1.095929426e-01 -7.511262540e-01 3.46 3.037563403e-01 1.239736220e-01 -7.339157541e-01 3.48 3.010780546e-01 1.371136691e-01 -7.170595554e-01 3.50 2.980847728e-01 1.490693246e-01 -7.005526568e-01 3.52 2.948047966e-01 1.598977743e-01 -6.843899559e-01 3.54 2.912648985e-01 1.696567546e-01 -6.685662651e-01 3.56 2.874903796e-01 1.784041641e-01 -6.530763282e-01 3.58 2.835051263e-01 1.861976860e-01 -6.379148346e-01 3.60 2.793316664e-01 1.930944302e-01 -6.230764323e-01 3.62 2.749912236e-01 1.991505981e-01 -6.085557407e-01 3.64 2.705037714e-01 2.044211760e-01 -5.943473613e-01 3.66 2.658880851e-01 2.089596609e-01 -5.804458881e-01 3.68 2.611617932e-01 2.128178194e-01 -5.668459167e-01 3.70 2.563414272e-01 2.160454837e-01 -5.535420529e-01 3.72 2.514424700e-01 2.186903837e-01 -5.405289205e-01 3.74 2.464794030e-01 2.207980150e-01 -5.278011679e-01 3.76 2.414657522e-01 2.224115438e-01 -5.153534748e-01 3.78 2.364141324e-01 2.235717436e-01 -5.031805575e-01 3.80 2.313362903e-01 2.243169655e-01 -4.912771745e-01 3.82 2.262431462e-01 2.246831361e-01 -4.796381305e-01 3.84 2.211448344e-01 2.247037826e-01 -4.682582810e-01 3.86 2.160507420e-01 2.244100800e-01 -4.571325357e-01 3.88 2.109695467e-01 2.238309192e-01 -4.462558616e-01 3.90 2.059092527e-01 2.229929905e-01 -4.356232862e-01 3.92 2.008772263e-01 2.219208816e-01 -4.252298995e-01 3.94 1.958802287e-01 2.206371848e-01 -4.150708567e-01 3.96 1.909244492e-01 2.191626123e-01 -4.051413796e-01 3.98 1.860155357e-01 2.175161165e-01 -3.954367582e-01 4.00 1.811586249e-01 2.157150115e-01 -3.859523524e-01 4.02 1.763583706e-01 2.137750957e-01 -3.766835926e-01 4.04 1.716189718e-01 2.117107723e-01 -3.676259809e-01 4.06 1.669441985e-01 2.095351669e-01 -3.587750916e-01 4.08 1.623374171e-01 2.072602396e-01 -3.501265716e-01 4.10 1.578016145e-01 2.048968923e-01 -3.416761409e-01 4.12 1.533394213e-01 2.024550691e-01 -3.334195929e-01 4.14 1.489531335e-01 1.999438505e-01 -3.253527940e-01 4.16 1.446447341e-01 1.973715389e-01 -3.174716837e-01 4.18 1.404159124e-01 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