# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al3Co # 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 2024-04-11 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.035169647e+02 nan nan 1.16 9.550914126e+01 nan nan 1.18 8.812406863e+01 nan nan 1.20 8.130621180e+01 nan nan 1.22 7.500489347e+01 nan nan 1.24 6.917457879e+01 nan nan 1.26 6.377562359e+01 nan nan 1.28 5.877337128e+01 9.026446156e+01 1.030486054e+02 1.30 5.413677030e+01 8.381321341e+01 9.587690486e+01 1.32 4.983781857e+01 7.781497913e+01 8.920783515e+01 1.34 4.585108644e+01 7.223480798e+01 8.300271052e+01 1.36 4.215282460e+01 6.704071761e+01 7.722591205e+01 1.38 3.872052661e+01 6.220424478e+01 7.184347441e+01 1.40 3.553346097e+01 5.769992458e+01 6.682273208e+01 1.42 3.257331281e+01 5.350401286e+01 6.213369561e+01 1.44 2.982389935e+01 4.959319246e+01 5.775063226e+01 1.46 2.727075705e+01 4.594420839e+01 5.365219960e+01 1.48 2.489979316e+01 4.253490646e+01 4.982020866e+01 1.50 2.270152642e+01 3.934588828e+01 4.623805428e+01 1.52 2.066227861e+01 3.636134487e+01 4.288962695e+01 1.54 1.876878573e+01 3.356851456e+01 3.975902691e+01 1.56 1.700993037e+01 3.095644305e+01 3.683085227e+01 1.58 1.537635545e+01 2.851510675e+01 3.409057492e+01 1.60 1.385976491e+01 2.623500155e+01 3.152474430e+01 1.62 1.245234921e+01 2.410769274e+01 2.912101000e+01 1.64 1.114654837e+01 2.212667398e+01 2.686848981e+01 1.66 9.935151535e+00 2.028154156e+01 2.475744196e+01 1.68 8.811557052e+00 1.856171539e+01 2.278238540e+01 1.70 7.769948476e+00 1.695734616e+01 2.093445896e+01 1.72 6.805244498e+00 1.545961937e+01 1.920512250e+01 1.74 5.912853968e+00 1.406077000e+01 1.758712101e+01 1.76 5.088370512e+00 1.275386488e+01 1.607422972e+01 1.78 4.327335089e+00 1.153259457e+01 1.466085422e+01 1.80 3.625119663e+00 1.039123009e+01 1.334167513e+01 1.82 2.976919564e+00 9.324686511e+00 1.211139862e+01 1.84 2.377843258e+00 8.328540440e+00 1.096458127e+01 1.86 1.823114431e+00 7.398920886e+00 9.895514188e+00 1.88 1.308363957e+00 6.532298374e+00 8.898226305e+00 1.90 8.299023628e-01 5.725243572e+00 7.966689402e+00 1.92 3.848423566e-01 4.974228275e+00 7.095208032e+00 1.94 -2.896921266e-02 4.275531986e+00 6.278822334e+00 1.96 -4.131397664e-01 3.625290269e+00 5.513507621e+00 1.98 -7.689334094e-01 3.019668716e+00 4.796089170e+00 2.00 -1.097419730e+00 2.455093404e+00 4.123970164e+00 2.02 -1.399557877e+00 1.928447804e+00 3.494842233e+00 2.04 -1.676240358e+00 1.437162416e+00 2.906498456e+00 2.06 -1.928330307e+00 9.791688211e-01 2.356777266e+00 2.08 -2.156715937e+00 5.527486918e-01 1.843597335e+00 2.10 -2.362385964e+00 1.563486469e-01 1.365018098e+00 2.12 -2.546508619e+00 -2.115699101e-01 9.192732769e-01 2.14 -2.710484184e+00 -5.526093619e-01 5.047547426e-01 2.16 -2.855943811e+00 -8.684412605e-01 1.199517445e-01 2.18 -2.984685043e+00 -1.160758944e+00 -2.366327496e-01 2.20 -3.098558827e+00 -1.431206418e+00 -5.665587012e-01 2.22 -3.199340631e+00 -1.681311678e+00 -8.714867263e-01 2.24 -3.288620768e+00 -1.912443066e+00 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-3.694980391e+00 -3.604632165e+00 2.62 -3.660364938e+00 -3.702998798e+00 -3.648446646e+00 2.64 -3.627248433e+00 -3.707300398e+00 -3.686349866e+00 2.66 -3.589661834e+00 -3.709715740e+00 -3.718451559e+00 2.68 -3.548171383e+00 -3.711746333e+00 -3.744810804e+00 2.70 -3.503451154e+00 -3.713077704e+00 -3.765455049e+00 2.72 -3.456227658e+00 -3.713259396e+00 -3.780398543e+00 2.74 -3.407217350e+00 -3.711865918e+00 -3.790383904e+00 2.76 -3.357072165e+00 -3.708503716e+00 -3.796691543e+00 2.78 -3.306342604e+00 -3.702820040e+00 -3.798852733e+00 2.80 -3.255460623e+00 -3.694509245e+00 -3.796481251e+00 2.82 -3.204739271e+00 -3.683316677e+00 -3.789378888e+00 2.84 -3.154384335e+00 -3.669044941e+00 -3.777548363e+00 2.86 -3.104512928e+00 -3.651556334e+00 -3.761193630e+00 2.88 -3.055174778e+00 -3.630757380e+00 -3.740700822e+00 2.90 -3.006372561e+00 -3.606587705e+00 -3.716596168e+00 2.92 -2.958079420e+00 -3.579023140e+00 -3.689494546e+00 2.94 -2.910252719e+00 -3.548082664e+00 -3.660048265e+00 2.96 -2.862844133e+00 -3.513839050e+00 -3.628845457e+00 2.98 -2.815806645e+00 -3.476431648e+00 -3.596358997e+00 3.00 -2.769098737e+00 -3.436078125e+00 -3.562928139e+00 3.02 -2.722686216e+00 -3.393080787e+00 -3.528764206e+00 3.04 -2.676542171e+00 -3.347822953e+00 -3.493972342e+00 3.06 -2.630645632e+00 -3.300752558e+00 -3.458580524e+00 3.08 -2.584979626e+00 -3.252353202e+00 -3.422568351e+00 3.10 -2.539529212e+00 -3.203107346e+00 -3.385891073e+00 3.12 -2.494279982e+00 -3.153458726e+00 -3.348497097e+00 3.14 -2.449217321e+00 -3.103781868e+00 -3.310339108e+00 3.16 -2.404326529e+00 -3.054363833e+00 -3.271379965e+00 3.18 -2.359593700e+00 -3.005400085e+00 -3.231594801e+00 3.20 -2.315007156e+00 -2.957002164e+00 -3.190970687e+00 3.22 -2.270559093e+00 -2.909213054e+00 -3.149504944e+00 3.24 -2.226247114e+00 -2.862025653e+00 -3.107202857e+00 3.26 -2.182075371e+00 -2.815400663e+00 -3.064075442e+00 3.28 -2.138055140e+00 -2.769281697e+00 -3.020137599e+00 3.30 -2.094204785e+00 -2.723606721e+00 -2.975406967e+00 3.32 -2.050549156e+00 -2.678315931e+00 -2.929903713e+00 3.34 -2.007118559e+00 -2.633356687e+00 -2.883651413e+00 3.36 -1.963947479e+00 -2.588686249e+00 -2.836679143e+00 3.38 -1.921073084e+00 -2.544273015e+00 -2.789024779e+00 3.40 -1.878533793e+00 -2.500096785e+00 -2.740739312e+00 3.42 -1.836367864e+00 -2.456148420e+00 -2.691891779e+00 3.44 -1.794612164e+00 -2.412429013e+00 -2.642574057e+00 3.46 -1.753301044e+00 -2.368948786e+00 -2.592904534e+00 3.48 -1.712465511e+00 -2.325725693e+00 -2.543029488e+00 3.50 -1.672132549e+00 -2.282783819e+00 -2.493121123e+00 3.52 -1.632324683e+00 -2.240151646e+00 -2.443371792e+00 3.54 -1.593059589e+00 -2.197860278e+00 -2.393984273e+00 3.56 -1.554349893e+00 -2.155941705e+00 -2.345159653e+00 3.58 -1.516202962e+00 -2.114427214e+00 -2.297084274e+00 3.60 -1.478620709e+00 -2.073345991e+00 -2.249917996e+00 3.62 -1.441599381e+00 -2.032723981e+00 -2.203785550e+00 3.64 -1.405129336e+00 -1.992583013e+00 -2.158772055e+00 3.66 -1.369194805e+00 -1.952940197e+00 -2.114922809e+00 3.68 -1.333773684e+00 -1.913807565e+00 -2.072246680e+00 3.70 -1.298837385e+00 -1.875191923e+00 -2.030721930e+00 3.72 -1.264350805e+00 -1.837094883e+00 -1.990303203e+00 3.74 -1.230272450e+00 -1.799513009e+00 -1.950928570e+00 3.76 -1.196554813e+00 -1.762438071e+00 -1.912525890e+00 3.78 -1.163145051e+00 -1.725857348e+00 -1.875018068e+00 3.80 -1.129986076e+00 -1.689753982e+00 -1.838327122e+00 3.82 -1.097018122e+00 -1.654107383e+00 -1.802377148e+00 3.84 -1.064180895e+00 -1.618893667e+00 -1.767096395e+00 3.86 -1.031416345e+00 -1.584086160e+00 -1.732418679e+00 3.88 -9.986720795e-01 -1.549655933e+00 -1.698284343e+00 3.90 -9.659053636e-01 -1.515572389e+00 -1.664640912e+00 3.92 -9.330875281e-01 -1.481803836e+00 -1.631443511e+00 3.94 -9.002085357e-01 -1.448318092e+00 -1.598655170e+00 3.96 -8.672811493e-01 -1.415082961e+00 -1.566246794e+00 3.98 -8.343442905e-01 -1.382066729e+00 -1.534197063e+00 4.00 -8.014648158e-01 -1.349238581e+00 -1.502492028e+00 4.02 -7.687371421e-01 -1.316568999e+00 -1.471124496e+00 4.04 -7.362802529e-01 -1.284030214e+00 -1.440093208e+00 4.06 -7.042319455e-01 -1.251596783e+00 -1.409401851e+00 4.08 -6.727406087e-01 -1.219246376e+00 -1.379057987e+00 4.10 -6.419552837e-01 -1.186960828e+00 -1.349071928e+00 4.12 -6.120151423e-01 -1.154727655e+00 -1.319455662e+00 4.14 -5.830397004e-01 -1.122541635e+00 -1.290221853e+00 4.16 -5.551210090e-01 -1.090406930e+00 -1.261382954e+00 4.18 -5.283187422e-01 -1.058339169e+00 -1.232950475e+00 4.20 -5.026586026e-01 -1.026367428e+00 -1.204934385e+00 4.22 -4.781340795e-01 -9.945357616e-01 -1.177342664e+00 4.24 -4.547107445e-01 -9.629039206e-01 -1.150180968e+00 4.26 -4.323327178e-01 -9.315469259e-01 -1.123452412e+00 4.28 -4.109300987e-01 -9.005532314e-01 -1.097157428e+00 4.30 -3.904266565e-01 -8.700213948e-01 -1.071293691e+00 4.32 -3.707470499e-01 -8.400553856e-01 -1.045856078e+00 4.34 -3.518230263e-01 -8.107589017e-01 -1.020836666e+00 4.36 -3.335982042e-01 -7.822292607e-01 -9.962247291e-01 4.38 -3.160312085e-01 -7.545515370e-01 -9.720067493e-01 4.40 -2.990969706e-01 -7.277935937e-01 -9.481664128e-01 4.42 -2.827862885e-01 -7.020025139e-01 -9.246846051e-01 4.44 -2.671037338e-01 -6.772027115e-01 -9.015393944e-01 4.46 -2.520642382e-01 -6.533957438e-01 -8.787060094e-01 4.48 -2.376887978e-01 -6.305616245e-01 -8.561568153e-01 4.50 -2.239998279e-01 -6.086612794e-01 -8.338612978e-01 4.52 -2.110167206e-01 -5.876397250e-01 -8.117860341e-01 4.54 -1.987520911e-01 -5.674295564e-01 -7.898948546e-01 4.56 -1.872090610e-01 -5.479544094e-01 -7.681487342e-01 4.58 -1.763797498e-01 -5.291321543e-01 -7.465060913e-01 4.60 -1.662449639e-01 -5.108776892e-01 -7.249230184e-01 4.62 -1.567749227e-01 -4.931052890e-01 -7.033536816e-01 4.64 -1.479307726e-01 -4.757305395e-01 -6.817508902e-01 4.66 -1.396665999e-01 -4.586719287e-01 -6.600668719e-01 4.68 -1.319316722e-01 -4.418521954e-01 -6.382542935e-01 4.70 -1.246726863e-01 -4.251995366e-01 -6.162675571e-01 4.72 -1.178358627e-01 -4.086487692e-01 -5.940643990e-01 4.74 -1.113687906e-01 -3.921425194e-01 -5.716077973e-01 4.76 -1.052219811e-01 -3.756324864e-01 -5.488681733e-01 4.78 -9.935012310e-02 -3.590807901e-01 -5.258258344e-01 4.80 -9.371305419e-02 -3.424613558e-01 -5.024735652e-01 4.82 -8.827647613e-02 -3.257613622e-01 -4.788192221e-01 4.84 -8.301243086e-02 -3.089823814e-01 -4.548881355e-01 4.86 -7.789946464e-02 -2.921414070e-01 -4.307250754e-01 4.88 -7.292274455e-02 -2.752713261e-01 -4.063955099e-01 4.90 -6.807410492e-02 -2.584207700e-01 -3.819858835e-01 4.92 -6.335131058e-02 -2.416531733e-01 -3.576026822e-01 4.94 -5.875744120e-02 -2.250449475e-01 -3.333701361e-01 4.96 -5.430005551e-02 -2.086827626e-01 -3.094265392e-01 4.98 -4.999016060e-02 -1.926600325e-01 -2.859193218e-01 5.00 -4.584104878e-02 -1.770728110e-01 -2.629991739e-01 5.02 -4.186707328e-02 -1.620153920e-01 -2.408136593e-01 5.04 -3.808243824e-02 -1.475759676e-01 -2.195008475e-01 5.06 -3.450009099e-02 -1.338327004e-01 -1.991835029e-01 5.08 -3.113081004e-02 -1.208505228e-01 -1.799643135e-01 5.10 -2.798251491e-02 -1.086788881e-01 -1.619225083e-01 5.12 -2.505983735e-02 -9.735058150e-02 -1.451120445e-01 5.14 -2.236395582e-02 -8.688159861e-02 -1.295613667e-01 5.16 -1.989232807e-02 -7.727194649e-02 -1.152745792e-01 5.18 -1.763941871e-02 -6.850720401e-02 -1.022337586e-01 5.20 -1.559760113e-02 -6.056059906e-02 -9.040206774e-02 5.22 -1.375692623e-02 -5.339538789e-02 -7.972731699e-02 5.24 -1.210569115e-02 -4.696733217e-02 -7.014567944e-02 5.26 -1.063100182e-02 -4.122705475e-02 -6.158525491e-02 5.28 -9.319288591e-03 -3.612211355e-02 -5.396931293e-02 5.30 -8.156753733e-03 -3.159854015e-02 -4.721908706e-02 5.32 -7.129740249e-03 -2.760346030e-02 -4.125610446e-02 5.34 -6.225020291e-03 -2.408554613e-02 -3.600402344e-02 5.36 -5.430007638e-03 -2.099576631e-02 -3.138997238e-02 5.38 -4.732902530e-03 -1.828769996e-02 -2.734513181e-02 5.40 -4.122779176e-03 -1.591867905e-02 -2.380558685e-02 5.42 -3.589626723e-03 -1.384978411e-02 -2.071363599e-02 5.44 -3.124354045e-03 -1.204555143e-02 -1.801649514e-02 5.46 -2.718767653e-03 -1.047395470e-02 -1.566658640e-02 5.48 -2.365530671e-03 -9.106286060e-03 -1.362126621e-02 5.50 -2.058109426e-03 -7.916971183e-03 -1.184246761e-02 5.52 -1.790712813e-03 -6.883344814e-03 -1.029640376e-02 5.54 -1.558228427e-03 -5.985406707e-03 -8.953219985e-03 5.56 -1.356158353e-03 -5.205572142e-03 -7.786672767e-03 5.58 -1.180556713e-03 -4.528427011e-03 -6.773719479e-03 5.60 -1.027970331e-03 -3.940494017e-03 -5.894213409e-03 5.62 -8.953833915e-04 -3.430014069e-03 -5.130571359e-03 5.64 -7.801665420e-04 -2.986745041e-03 -4.467475391e-03 5.66 -6.800306075e-04 -2.601778782e-03 -3.891600809e-03 5.68 -5.929848890e-04 -2.267376333e-03 -3.391370702e-03 5.70 -5.172998665e-04 -1.976820688e-03 -2.956736317e-03 5.72 -4.514740480e-04 -1.724286069e-03 -2.578981871e-03 5.74 -3.942046541e-04 -1.504722472e-03 -2.250552039e-03 5.76 -3.443618013e-04 -1.313754130e-03 -1.964900170e-03 5.78 -3.009658503e-04 -1.147590535e-03 -1.716355224e-03 5.80 -2.631675864e-04 -1.002948692e-03 -1.500005494e-03 5.82 -2.302309221e-04 -8.769853564e-04 -1.311597226e-03 5.84 -2.015178307e-04 -7.672380821e-04 -1.147446422e-03 5.86 -1.764752451e-04 -6.715740252e-04 -1.004362243e-03 5.88 -1.546236817e-04 -5.881455395e-04 -8.795805602e-04 5.90 -1.355473719e-04 -5.153517049e-04 -7.707063959e-04 5.92 -1.188857112e-04 -4.518050233e-04 -6.756640855e-04 5.94 -1.043258526e-04 -3.963026075e-04 -5.926541692e-04 5.96 -9.159629666e-05 -3.478012701e-04 -5.201161162e-04 5.98 -8.046134558e-05 -3.053959914e-04 -4.566961067e-04 6.00 -7.071630587e-05 -2.683013124e-04 -4.012191916e-04