# 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 = Ag3Pb # 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 3.431454847e+02 nan nan 1.16 3.167128350e+02 nan nan 1.18 2.923965950e+02 nan nan 1.20 2.700116284e+02 nan nan 1.22 2.493906501e+02 nan nan 1.24 2.303824021e+02 nan nan 1.26 2.128500775e+02 nan nan 1.28 1.966697244e+02 2.990935215e+02 3.411353201e+02 1.30 1.817288237e+02 2.779441575e+02 3.175338807e+02 1.32 1.679250848e+02 2.583371387e+02 2.956298131e+02 1.34 1.551653853e+02 2.401497083e+02 2.752889022e+02 1.36 1.433649103e+02 2.232692983e+02 2.563886717e+02 1.38 1.324465158e+02 2.075926832e+02 2.388175989e+02 1.40 1.223400967e+02 1.930255577e+02 2.224742534e+02 1.42 1.129817361e+02 1.794823122e+02 2.072662566e+02 1.44 1.043127776e+02 1.668855260e+02 1.931091524e+02 1.46 9.627912177e+01 1.551650161e+02 1.799253550e+02 1.48 8.883092471e+01 1.442567317e+02 1.676432517e+02 1.50 8.192255026e+01 1.341017865e+02 1.561965844e+02 1.52 7.551563920e+01 1.246457169e+02 1.455240618e+02 1.54 6.958339491e+01 1.158379218e+02 1.355690743e+02 1.56 6.409091284e+01 1.076312760e+02 1.262793783e+02 1.58 5.900493125e+01 9.998193576e+01 1.176067574e+02 1.60 5.429485592e+01 9.284926475e+01 1.095067774e+02 1.62 4.993251784e+01 8.619579622e+01 1.019386481e+02 1.64 4.589196076e+01 7.998713623e+01 9.486506423e+01 1.66 4.214926192e+01 7.419587115e+01 8.825192681e+01 1.68 3.868237272e+01 6.880162592e+01 8.206795182e+01 1.70 3.547095907e+01 6.377705481e+01 7.628535521e+01 1.72 3.249623659e+01 5.909628792e+01 7.088653033e+01 1.74 2.974080915e+01 5.473515163e+01 6.584787365e+01 1.76 2.718851694e+01 5.067101767e+01 6.114500471e+01 1.78 2.482432264e+01 4.688275964e+01 5.675517515e+01 1.80 2.263424732e+01 4.335078705e+01 5.265716594e+01 1.82 2.060535544e+01 4.005710331e+01 4.883121252e+01 1.84 1.872575407e+01 3.698530195e+01 4.525894979e+01 1.86 1.698456995e+01 3.412045927e+01 4.192334206e+01 1.88 1.537188185e+01 3.144895571e+01 3.880859891e+01 1.90 1.387861026e+01 2.895826656e+01 3.590006857e+01 1.92 1.249639086e+01 2.663677338e+01 3.318412927e+01 1.94 1.121747402e+01 2.447361833e+01 3.064809200e+01 1.96 1.003465570e+01 2.245859567e+01 2.828010966e+01 1.98 8.941240593e+00 2.058208176e+01 2.606910136e+01 2.00 7.931016718e+00 1.883498808e+01 2.400468713e+01 2.02 6.998230367e+00 1.720873254e+01 2.207714319e+01 2.04 6.137551495e+00 1.569522272e+01 2.027737922e+01 2.06 5.344034543e+00 1.428684877e+01 1.859693331e+01 2.08 4.613069424e+00 1.297647925e+01 1.702797965e+01 2.10 3.940335511e+00 1.175745537e+01 1.556332311e+01 2.12 3.321762887e+00 1.062357750e+01 1.419637399e+01 2.14 2.753506014e+00 9.569082187e+00 1.292109511e+01 2.16 2.231929841e+00 8.588615986e+00 1.173192748e+01 2.18 1.753600677e+00 7.677210312e+00 1.062370588e+01 2.20 1.315283473e+00 6.830258654e+00 9.591570834e+00 2.22 9.139335235e-01 6.043498485e+00 8.630900734e+00 2.24 5.466941220e-01 5.312991705e+00 7.737256227e+00 2.26 2.109007293e-01 4.635101600e+00 6.906357609e+00 2.28 -9.590807020e-02 4.006462486e+00 6.134089711e+00 2.30 -3.759788474e-01 3.423951253e+00 5.416524514e+00 2.32 -6.313393008e-01 2.884650588e+00 4.749952367e+00 2.34 -8.638065715e-01 2.385824457e+00 4.130906793e+00 2.36 -1.075010760e+00 1.924891356e+00 3.556176924e+00 2.38 -1.266420288e+00 1.499408281e+00 3.022802712e+00 2.40 -1.439374083e+00 1.107060851e+00 2.528060218e+00 2.42 -1.595108119e+00 7.456590369e-01 2.069433482e+00 2.44 -1.734776804e+00 4.131357879e-01 1.644584912e+00 2.46 -1.859468590e+00 1.075461763e-01 1.251327049e+00 2.48 -1.970215870e+00 -1.729352575e-01 8.876006426e-01 2.50 -2.067999732e+00 -4.300198401e-01 5.514618891e-01 2.52 -2.153750816e+00 -6.653128637e-01 2.410788886e-01 2.54 -2.228348605e+00 -8.803238668e-01 -4.526470361e-02 2.56 -2.292622199e+00 -1.076478004e+00 -3.091638681e-01 2.58 -2.347354943e+00 -1.255126701e+00 -5.520890394e-01 2.60 -2.393401452e+00 -1.417554998e+00 -7.753887523e-01 2.62 -2.431724432e+00 -1.564982550e+00 -9.802979405e-01 2.64 -2.462695542e+00 -1.698560339e+00 -1.167953185e+00 2.66 -2.486707450e+00 -1.819357348e+00 -1.339403865e+00 2.68 -2.504217979e+00 -1.928352638e+00 -1.495628647e+00 2.70 -2.515727199e+00 -2.026429066e+00 -1.637546752e+00 2.72 -2.521749970e+00 -2.114374988e+00 -1.766027446e+00 2.74 -2.522789156e+00 -2.192892868e+00 -1.881897334e+00 2.76 -2.519322363e+00 -2.262612077e+00 -1.985946201e+00 2.78 -2.511802926e+00 -2.324102353e+00 -2.078932345e+00 2.80 -2.500632588e+00 -2.377886715e+00 -2.161588453e+00 2.82 -2.486169510e+00 -2.424464694e+00 -2.234627469e+00 2.84 -2.468753302e+00 -2.464468911e+00 -2.298748324e+00 2.86 -2.448611477e+00 -2.498340563e+00 -2.354639026e+00 2.88 -2.425945573e+00 -2.526231410e+00 -2.402975389e+00 2.90 -2.400947608e+00 -2.548318519e+00 -2.444416088e+00 2.92 -2.373801423e+00 -2.564805654e+00 -2.479823738e+00 2.94 -2.344687737e+00 -2.575919475e+00 -2.509740110e+00 2.96 -2.313778587e+00 -2.581907849e+00 -2.534436597e+00 2.98 -2.281237843e+00 -2.583039744e+00 -2.554185759e+00 3.00 -2.247213511e+00 -2.579608170e+00 -2.569244776e+00 3.02 -2.211849575e+00 -2.571940441e+00 -2.579856558e+00 3.04 -2.175287004e+00 -2.560392118e+00 -2.586249270e+00 3.06 -2.137662728e+00 -2.545331835e+00 -2.588639534e+00 3.08 -2.099108792e+00 -2.527150593e+00 -2.587236539e+00 3.10 -2.059751738e+00 -2.506221067e+00 -2.582254966e+00 3.12 -2.019712256e+00 -2.482856559e+00 -2.573915818e+00 3.14 -1.979105113e+00 -2.457353680e+00 -2.562433748e+00 3.16 -1.938039319e+00 -2.429981103e+00 -2.548036212e+00 3.18 -1.896618419e+00 -2.400978247e+00 -2.530936258e+00 3.20 -1.854940799e+00 -2.370553744e+00 -2.511296727e+00 3.22 -1.813099920e+00 -2.338887111e+00 -2.489281144e+00 3.24 -1.771184419e+00 -2.306131476e+00 -2.465051426e+00 3.26 -1.729278148e+00 -2.272411803e+00 -2.438766984e+00 3.28 -1.687460172e+00 -2.237830413e+00 -2.410583344e+00 3.30 -1.645804832e+00 -2.202477796e+00 -2.380651427e+00 3.32 -1.604381862e+00 -2.166436243e+00 -2.349117193e+00 3.34 -1.563256567e+00 -2.129782936e+00 -2.316118556e+00 3.36 -1.522489998e+00 -2.092592465e+00 -2.281783475e+00 3.38 -1.482139048e+00 -2.054938616e+00 -2.246238865e+00 3.40 -1.442256467e+00 -2.016895221e+00 -2.209612707e+00 3.42 -1.402889801e+00 -1.978537130e+00 -2.172035652e+00 3.44 -1.364085513e+00 -1.939938792e+00 -2.133642598e+00 3.46 -1.325882285e+00 -1.901174294e+00 -2.094573860e+00 3.48 -1.288315774e+00 -1.862316187e+00 -2.054975487e+00 3.50 -1.251417411e+00 -1.823434469e+00 -2.014997429e+00 3.52 -1.215214417e+00 -1.784595654e+00 -1.974794818e+00 3.54 -1.179729684e+00 -1.745862027e+00 -1.934518169e+00 3.56 -1.144981515e+00 -1.707291128e+00 -1.894312517e+00 3.58 -1.110983244e+00 -1.668935496e+00 -1.854310892e+00 3.60 -1.077742848e+00 -1.630842664e+00 -1.814629325e+00 3.62 -1.045262666e+00 -1.593055346e+00 -1.775363102e+00 3.64 -1.013539319e+00 -1.555611787e+00 -1.736584792e+00 3.66 -9.825638635e-01 -1.518546183e+00 -1.698344214e+00 3.68 -9.523221784e-01 -1.481889094e+00 -1.660670150e+00 3.70 -9.227955247e-01 -1.445667785e+00 -1.623573342e+00 3.72 -8.939612235e-01 -1.409906418e+00 -1.587050219e+00 3.74 -8.657933966e-01 -1.374626097e+00 -1.551086838e+00 3.76 -8.382637364e-01 -1.339844783e+00 -1.515662641e+00 3.78 -8.113422921e-01 -1.305577144e+00 -1.480753779e+00 3.80 -7.849982749e-01 -1.271834445e+00 -1.446335884e+00 3.82 -7.592008962e-01 -1.238624546e+00 -1.412386239e+00 3.84 -7.339202536e-01 -1.205952098e+00 -1.378885387e+00 3.86 -7.091282780e-01 -1.173818900e+00 -1.345818190e+00 3.88 -6.847997442e-01 -1.142224410e+00 -1.313174418e+00 3.90 -6.609133354e-01 -1.111166317e+00 -1.280948899e+00 3.92 -6.374523882e-01 -1.080640722e+00 -1.249140764e+00 3.94 -6.144073621e-01 -1.050644070e+00 -1.217755221e+00 3.96 -5.917745161e-01 -1.021171118e+00 -1.186799248e+00 3.98 -5.695581545e-01 -9.922167449e-01 -1.156283254e+00 4.00 -5.477704861e-01 -9.637755578e-01 -1.126219499e+00 4.02 -5.264313650e-01 -9.358418735e-01 -1.096621199e+00 4.04 -5.055673822e-01 -9.084096799e-01 -1.067501712e+00 4.06 -4.852102556e-01 -8.814726419e-01 -1.038873833e+00 4.08 -4.653945726e-01 -8.550241925e-01 -1.010749249e+00 4.10 -4.461550486e-01 -8.290567080e-01 -9.831381437e-01 4.12 -4.275235805e-01 -8.035661907e-01 -9.560489622e-01 4.14 -4.095264360e-01 -7.785459260e-01 -9.294883125e-01 4.16 -3.921819293e-01 -7.539918583e-01 -9.034609899e-01 4.18 -3.754988672e-01 -7.299019771e-01 -8.779700903e-01 4.20 -3.594759297e-01 -7.062769696e-01 -8.530171820e-01 4.22 -3.441020185e-01 -6.831207925e-01 -8.286025018e-01 4.24 -3.293574297e-01 -6.604410654e-01 -8.047251446e-01 4.26 -3.152156840e-01 -6.382491911e-01 -7.813832151e-01 4.28 -3.016457258e-01 -6.165601210e-01 -7.585739220e-01 4.30 -2.886142505e-01 -5.953917172e-01 -7.362936010e-01 4.32 -2.760879346e-01 -5.747637109e-01 -7.145376679e-01 4.34 -2.640354002e-01 -5.546963208e-01 -6.933005127e-01 4.36 -2.524282488e-01 -5.352086502e-01 -6.725753580e-01 4.38 -2.412444403e-01 -5.163170310e-01 -6.523541096e-01 4.40 -2.304653552e-01 -4.980334988e-01 -6.326272269e-01 4.42 -2.200783944e-01 -4.803645699e-01 -6.133836376e-01 4.44 -2.100759528e-01 -4.633104457e-01 -5.946107091e-01 4.46 -2.004546267e-01 -4.468647033e-01 -5.762942805e-01 4.48 -1.912140866e-01 -4.310144624e-01 -5.584187501e-01 4.50 -1.823557375e-01 -4.157409569e-01 -5.409672038e-01 4.52 -1.738807599e-01 -4.010204014e-01 -5.239203397e-01 4.54 -1.657910496e-01 -3.868250284e-01 -5.072617787e-01 4.56 -1.580845209e-01 -3.731241789e-01 -4.909701910e-01 4.58 -1.507567718e-01 -3.598853547e-01 -4.750251042e-01 4.60 -1.437999712e-01 -3.470751662e-01 -4.594056083e-01 4.62 -1.372027669e-01 -3.346601475e-01 -4.440905519e-01 4.64 -1.309505119e-01 -3.226074287e-01 -4.290587610e-01 4.66 -1.250257436e-01 -3.108852809e-01 -4.142892887e-01 4.68 -1.194088361e-01 -2.994635580e-01 -3.997617110e-01 4.70 -1.140786649e-01 -2.883140648e-01 -3.854564771e-01 4.72 -1.090127673e-01 -2.774108805e-01 -3.713553257e-01 4.74 -1.041898155e-01 -2.667306656e-01 -3.574417677e-01 4.76 -9.958913056e-02 -2.562529662e-01 -3.437016376e-01 4.78 -9.519089791e-02 -2.459605298e-01 -3.301236998e-01 4.80 -9.097667253e-02 -2.358388626e-01 -3.167002916e-01 4.82 -8.692974145e-02 -2.258797312e-01 -3.034279706e-01 4.84 -8.303536242e-02 -2.160764789e-01 -2.903081218e-01 4.86 -7.928089676e-02 -2.064277253e-01 -2.773474685e-01 4.88 -7.565585055e-02 -1.969365880e-01 -2.645584226e-01 4.90 -7.215183463e-02 -1.876106705e-01 -2.519592063e-01 4.92 -6.876245043e-02 -1.784618657e-01 -2.395736814e-01 4.94 -6.548310778e-02 -1.695059442e-01 -2.274308395e-01 4.96 -6.231078154e-02 -1.607619121e-01 -2.155639283e-01 4.98 -5.924371638e-02 -1.522511483e-01 -2.040092280e-01 5.00 -5.628109361e-02 -1.439963577e-01 -1.928045304e-01 5.02 -5.342267805e-02 -1.360203992e-01 -1.819874130e-01 5.04 -5.066846662e-02 -1.283450752e-01 -1.715934353e-01 5.06 -4.801836197e-02 -1.209899794e-01 -1.616544002e-01 5.08 -4.547189349e-02 -1.139714917e-01 -1.521968255e-01 5.10 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-5.827971498e-02 5.46 -1.270399002e-02 -3.968224962e-02 -5.589335081e-02 5.48 -1.160400370e-02 -3.791020270e-02 -5.365137964e-02 5.50 -1.056363299e-02 -3.625064751e-02 -5.153836734e-02 5.52 -9.584024506e-03 -3.469294179e-02 -4.954046456e-02 5.54 -8.665997916e-03 -3.322724416e-02 -4.764486531e-02 5.56 -7.809929408e-03 -3.184448266e-02 -4.584135450e-02 5.58 -7.015671336e-03 -3.053632029e-02 -4.411955502e-02 5.60 -6.282510609e-03 -2.929511815e-02 -4.247061844e-02 5.62 -5.609164935e-03 -2.811389717e-02 -4.088663617e-02 5.64 -4.993812765e-03 -2.698629867e-02 -3.936053526e-02 5.66 -4.434150570e-03 -2.590654531e-02 -3.788598622e-02 5.68 -3.927469774e-03 -2.486940332e-02 -3.645732383e-02 5.70 -3.470745312e-03 -2.387014674e-02 -3.506947997e-02 5.72 -3.060728368e-03 -2.290452447e-02 -3.371792845e-02 5.74 -2.694036941e-03 -2.196873115e-02 -3.239864121e-02 5.76 -2.367239402e-03 -2.105938202e-02 -3.110805522e-02 5.78 -2.076927711e-03 -2.017349227e-02 -2.984304926e-02 5.80 -1.819778475e-03 -1.930846090e-02 -2.860092944e-02 5.82 -1.592601258e-03 -1.846205869e-02 -2.737942240e-02 5.84 -1.392374481e-03 -1.763242002e-02 -2.617667463e-02 5.86 -1.216269981e-03 -1.681803755e-02 -2.499125630e-02 5.88 -1.061667636e-03 -1.601775879e-02 -2.382216759e-02 5.90 -9.261616912e-04 -1.523078328e-02 -2.266884529e-02 5.92 -8.075604353e-04 -1.445665876e-02 -2.153116735e-02 5.94 -7.038807592e-04 -1.369526015e-02 -2.040943470e-02 5.96 -6.133389886e-04 -1.294670871e-02 -1.930424930e-02 5.98 -5.343391751e-04 -1.221154382e-02 -1.821678048e-02 6.00 -4.654598228e-04 -1.149061766e-02 -1.714862481e-02