# 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 = Ag3Fe # 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 2.873859589e+02 nan nan 1.16 2.630115821e+02 nan nan 1.18 2.407317956e+02 nan nan 1.20 2.203533221e+02 nan nan 1.22 2.017036378e+02 nan nan 1.24 1.846282811e+02 nan nan 1.26 1.689884221e+02 nan nan 1.28 1.546583554e+02 2.464632828e+02 2.848124501e+02 1.30 1.415235919e+02 2.271888135e+02 2.630897478e+02 1.32 1.294800028e+02 2.094269806e+02 2.430475705e+02 1.34 1.184332009e+02 1.930512256e+02 2.245467444e+02 1.36 1.082974774e+02 1.779462721e+02 2.074605814e+02 1.38 9.899467489e+01 1.640077796e+02 1.916734821e+02 1.40 9.045353112e+01 1.511413018e+02 1.770797971e+02 1.42 8.260931178e+01 1.392609253e+02 1.635833751e+02 1.44 7.540322172e+01 1.282880153e+02 1.510972618e+02 1.46 6.878156167e+01 1.181503308e+02 1.395427897e+02 1.48 6.269498946e+01 1.087816556e+02 1.288481548e+02 1.50 5.710119804e+01 1.001217242e+02 1.189471711e+02 1.52 5.196278745e+01 9.211591799e+01 1.097785979e+02 1.54 4.724236126e+01 8.471450216e+01 1.012859348e+02 1.56 4.290639039e+01 7.787172432e+01 9.341734303e+01 1.58 3.892461527e+01 7.154517583e+01 8.612541083e+01 1.60 3.526934332e+01 6.569547279e+01 7.936673113e+01 1.62 3.191488030e+01 6.028623130e+01 7.310143116e+01 1.64 2.883721588e+01 5.528682817e+01 6.729275115e+01 1.66 2.601396721e+01 5.066806551e+01 6.190663563e+01 1.68 2.342446740e+01 4.640052356e+01 5.691339622e+01 1.70 2.104983249e+01 4.245703200e+01 5.228732359e+01 1.72 1.887289613e+01 3.881262759e+01 4.800148098e+01 1.74 1.687800963e+01 3.544443820e+01 4.403111646e+01 1.76 1.505078008e+01 3.233148392e+01 4.035351323e+01 1.78 1.337783018e+01 2.945447583e+01 3.694771687e+01 1.80 1.184662836e+01 2.679568587e+01 3.379430574e+01 1.82 1.044539650e+01 2.433887617e+01 3.087521178e+01 1.84 9.163084829e+00 2.206921957e+01 2.817355631e+01 1.86 7.989404530e+00 1.997316276e+01 2.567348480e+01 1.88 6.914900046e+00 1.803823679e+01 2.336003402e+01 1.90 5.931020753e+00 1.625285189e+01 2.121908713e+01 1.92 5.030144297e+00 1.460611576e+01 1.923743755e+01 1.94 4.205529846e+00 1.308770618e+01 1.740290843e+01 1.96 3.451216313e+00 1.168781620e+01 1.570443123e+01 1.98 2.761898353e+00 1.039717007e+01 1.413201858e+01 2.00 2.132806312e+00 9.207084997e+00 1.267664172e+01 2.02 1.559600938e+00 8.109541948e+00 1.133007135e+01 2.04 1.038283519e+00 7.097231618e+00 1.008473728e+01 2.06 5.651196677e-01 6.163554786e+00 8.933632223e+00 2.08 1.365769142e-01 5.302574089e+00 7.870256336e+00 2.10 -2.507214809e-01 4.508931732e+00 6.888584510e+00 2.12 -6.000235499e-01 3.777755912e+00 5.983036278e+00 2.14 -9.144550931e-01 3.104575917e+00 5.148435764e+00 2.16 -1.197007650e+00 2.485257389e+00 4.379958822e+00 2.18 -1.450514030e+00 1.915960715e+00 3.673072311e+00 2.20 -1.677620080e+00 1.393118850e+00 3.023475209e+00 2.22 -1.880760840e+00 9.134266122e-01 2.427053894e+00 2.24 -2.062146129e+00 4.738326342e-01 1.879862809e+00 2.26 -2.223757045e+00 7.152787442e-02 1.378134740e+00 2.28 -2.367352635e+00 -2.960711043e-01 9.183130811e-01 2.30 -2.494485180e+00 -6.313426747e-01 4.970887964e-01 2.32 -2.606522094e+00 -9.364821953e-01 1.114244715e-01 2.34 -2.704672589e+00 -1.213523644e+00 -2.414429932e-01 2.36 -2.790014760e+00 -1.464359746e+00 -5.640186474e-01 2.38 -2.863508363e+00 -1.690759926e+00 -8.585767705e-01 2.40 -2.926022314e+00 -1.894385871e+00 -1.127191844e+00 2.42 -2.978349458e+00 -2.076804884e+00 -1.371769051e+00 2.44 -3.021216800e+00 -2.239501508e+00 -1.594072230e+00 2.46 -3.055293496e+00 -2.383887853e+00 -1.795747593e+00 2.48 -3.081277133e+00 -2.511312658e+00 -1.978341003e+00 2.50 -3.100041192e+00 -2.623068774e+00 -2.143306828e+00 2.52 -3.111591806e+00 -2.720398856e+00 -2.292007959e+00 2.54 -3.115869476e+00 -2.804499414e+00 -2.425709300e+00 2.56 -3.112912197e+00 -2.876526486e+00 -2.545569344e+00 2.58 -3.102842420e+00 -2.937589445e+00 -2.652634806e+00 2.60 -3.085861745e+00 -2.988746666e+00 -2.747841460e+00 2.62 -3.062254373e+00 -3.031001114e+00 -2.832022043e+00 2.64 -3.032416597e+00 -3.065282882e+00 -2.905919365e+00 2.66 -2.996830858e+00 -3.092429043e+00 -2.970190376e+00 2.68 -2.956031475e+00 -3.113170182e+00 -3.025425868e+00 2.70 -2.910583570e+00 -3.128271123e+00 -3.072162712e+00 2.72 -2.861056118e+00 -3.138335500e+00 -3.110893744e+00 2.74 -2.807995400e+00 -3.143312530e+00 -3.142077254e+00 2.76 -2.751905379e+00 -3.143104804e+00 -3.166146740e+00 2.78 -2.693238794e+00 -3.137683132e+00 -3.183608795e+00 2.80 -2.632398931e+00 -3.127082400e+00 -3.195090580e+00 2.82 -2.569749152e+00 -3.111397401e+00 -3.200578519e+00 2.84 -2.505626296e+00 -3.090785102e+00 -3.200090072e+00 2.86 -2.440354435e+00 -3.065458893e+00 -3.193752982e+00 2.88 -2.374256378e+00 -3.035681887e+00 -3.181792769e+00 2.90 -2.307661005e+00 -3.001743546e+00 -3.164514383e+00 2.92 -2.240905227e+00 -2.963945393e+00 -3.142277875e+00 2.94 -2.174330158e+00 -2.922595420e+00 -3.115477105e+00 2.96 -2.108272087e+00 -2.878004640e+00 -3.084530065e+00 2.98 -2.043049942e+00 -2.830485936e+00 -3.049831312e+00 3.00 -1.978951618e+00 -2.780354556e+00 -3.011731821e+00 3.02 -1.916221731e+00 -2.727929007e+00 -2.970535414e+00 3.04 -1.855052952e+00 -2.673530744e+00 -2.926502400e+00 3.06 -1.795582164e+00 -2.617481401e+00 -2.879857750e+00 3.08 -1.737891655e+00 -2.560097059e+00 -2.830801207e+00 3.10 -1.682014621e+00 -2.501680372e+00 -2.779517434e+00 3.12 -1.627943661e+00 -2.442512370e+00 -2.726185163e+00 3.14 -1.575640730e+00 -2.382846184e+00 -2.670984958e+00 3.16 -1.525047131e+00 -2.322904471e+00 -2.614105498e+00 3.18 -1.476092457e+00 -2.262881143e+00 -2.555748354e+00 3.20 -1.428701859e+00 -2.202946658e+00 -2.496131133e+00 3.22 -1.382801350e+00 -2.143255206e+00 -2.435488769e+00 3.24 -1.338321258e+00 -2.083951811e+00 -2.374072688e+00 3.26 -1.295198066e+00 -2.025177735e+00 -2.312147704e+00 3.28 -1.253375047e+00 -1.967073201e+00 -2.249986694e+00 3.30 -1.212802053e+00 -1.909777265e+00 -2.187863455e+00 3.32 -1.173434822e+00 -1.853425274e+00 -2.126044435e+00 3.34 -1.135234042e+00 -1.798144763e+00 -2.064780331e+00 3.36 -1.098164379e+00 -1.744050808e+00 -2.004298594e+00 3.38 -1.062193558e+00 -1.691241768e+00 -1.944797778e+00 3.40 -1.027291574e+00 -1.639796121e+00 -1.886444381e+00 3.42 -9.934300295e-01 -1.589770793e+00 -1.829372368e+00 3.44 -9.605816184e-01 -1.541201040e+00 -1.773685133e+00 3.46 -9.287197024e-01 -1.494101714e+00 -1.719459246e+00 3.48 -8.978179980e-01 -1.448469568e+00 -1.666749102e+00 3.50 -8.678503235e-01 -1.404286175e+00 -1.615591521e+00 3.52 -8.387904049e-01 -1.361521087e+00 -1.566009525e+00 3.54 -8.106117077e-01 -1.320134910e+00 -1.518014770e+00 3.56 -7.832873061e-01 -1.280082060e+00 -1.471608591e+00 3.58 -7.567897655e-01 -1.241313101e+00 -1.426781930e+00 3.60 -7.310910420e-01 -1.203776592e+00 -1.383514710e+00 3.62 -7.061623971e-01 -1.167420487e+00 -1.341775290e+00 3.64 -6.819743304e-01 -1.132193121e+00 -1.301520508e+00 3.66 -6.584965357e-01 -1.098043876e+00 -1.262696577e+00 3.68 -6.356978865e-01 -1.064923602e+00 -1.225240829e+00 3.70 -6.135464614e-01 -1.032784866e+00 -1.189084075e+00 3.72 -5.920096183e-01 -1.001582097e+00 -1.154153266e+00 3.74 -5.710541304e-01 -9.712716781e-01 -1.120374137e+00 3.76 -5.506463944e-01 -9.418120210e-01 -1.087673577e+00 3.78 -5.307527246e-01 -9.131636339e-01 -1.055981586e+00 3.80 -5.113397446e-01 -8.852891921e-01 -1.025232760e+00 3.82 -4.923748872e-01 -8.581536011e-01 -9.953673173e-01 3.84 -4.738270137e-01 -8.317240365e-01 -9.663317027e-01 3.86 -4.556671542e-01 -8.059699447e-01 -9.380788325e-01 3.88 -4.378693685e-01 -7.808629883e-01 -9.105680426e-01 3.90 -4.204117071e-01 -7.563769286e-01 -8.837647942e-01 3.92 -4.032772352e-01 -7.324874440e-01 -8.576401906e-01 3.94 -3.864550575e-01 -7.091719029e-01 -8.321703657e-01 3.96 -3.699412326e-01 -6.864090923e-01 -8.073357693e-01 3.98 -3.537394644e-01 -6.641789532e-01 -7.831204291e-01 4.00 -3.378614027e-01 -6.424623348e-01 -7.595112063e-01 4.02 -3.223264060e-01 -6.212408052e-01 -7.364970906e-01 4.04 -3.071606421e-01 -6.004965461e-01 -7.140685608e-01 4.06 -2.923954733e-01 -5.802123548e-01 -6.922170293e-01 4.08 -2.780651787e-01 -5.603717709e-01 -6.709343794e-01 4.10 -2.642041844e-01 -5.409593318e-01 -6.502125970e-01 4.12 -2.508440865e-01 -5.219609741e-01 -6.300434914e-01 4.14 -2.380108196e-01 -5.033645165e-01 -6.104184951e-01 4.16 -2.257223271e-01 -4.851602625e-01 -5.913285321e-01 4.18 -2.139870211e-01 -4.673416204e-01 -5.727639396e-01 4.20 -2.028031970e-01 -4.499056994e-01 -5.547144322e-01 4.22 -1.921594292e-01 -4.328537942e-01 -5.371690965e-01 4.24 -1.820357959e-01 -4.161916659e-01 -5.201164053e-01 4.26 -1.724057592e-01 -3.999295287e-01 -5.035442455e-01 4.28 -1.632384031e-01 -3.840816656e-01 -4.874399501e-01 4.30 -1.545007821e-01 -3.686656333e-01 -4.717903333e-01 4.32 -1.461601547e-01 -3.537010663e-01 -4.565817216e-01 4.34 -1.381859322e-01 -3.392081528e-01 -4.417999816e-01 4.36 -1.305512229e-01 -3.252059121e-01 -4.274305413e-01 4.38 -1.232339085e-01 -3.117104498e-01 -4.134584062e-01 4.40 -1.162172105e-01 -2.987333801e-01 -3.998681685e-01 4.42 -1.094897612e-01 -2.862805859e-01 -3.866440117e-01 4.44 -1.030451993e-01 -2.743514410e-01 -3.737697117e-01 4.46 -9.688135771e-02 -2.629385449e-01 -3.612286351e-01 4.48 -9.099913393e-02 -2.520279526e-01 -3.490037382e-01 4.50 -8.540116483e-02 -2.415998189e-01 -3.370775690e-01 4.52 -8.009044395e-02 -2.316293378e-01 -3.254322718e-01 4.54 -7.506902362e-02 -2.220878475e-01 -3.140496217e-01 4.56 -7.033692739e-02 -2.129439782e-01 -3.029110355e-01 4.58 -6.589136612e-02 -2.041647481e-01 -2.919976440e-01 4.60 -6.172630541e-02 -1.957165435e-01 -2.812903717e-01 4.62 -5.783238613e-02 -1.875659512e-01 -2.707700559e-01 4.64 -5.419715156e-02 -1.796804393e-01 -2.604176090e-01 4.66 -5.080552078e-02 -1.720289004e-01 -2.502142322e-01 4.68 -4.764041815e-02 -1.645820848e-01 -2.401416891e-01 4.70 -4.468343814e-02 -1.573129546e-01 -2.301826456e-01 4.72 -4.191523346e-02 -1.501969897e-01 -2.203210808e-01 4.74 -3.931716078e-02 -1.432124734e-01 -2.105427706e-01 4.76 -3.687125412e-02 -1.363407746e-01 -2.008358376e-01 4.78 -3.456054525e-02 -1.295666387e-01 -1.911913579e-01 4.80 -3.236950199e-02 -1.228784829e-01 -1.816040001e-01 4.82 -3.028434579e-02 -1.162686946e-01 -1.720726654e-01 4.84 -2.829326246e-02 -1.097338843e-01 -1.626010833e-01 4.86 -2.638651889e-02 -1.032750944e-01 -1.531983063e-01 4.88 -2.455649614e-02 -9.689789784e-02 -1.438790404e-01 4.90 -2.279764611e-02 -9.061235365e-02 -1.346637442e-01 4.92 -2.110627703e-02 -8.443277742e-02 -1.255784340e-01 4.94 -1.948036808e-02 -7.837729662e-02 -1.166541509e-01 4.96 -1.791971451e-02 -7.246717532e-02 -1.079260669e-01 4.98 -1.642535202e-02 -6.672592175e-02 -9.943224721e-02 5.00 -1.499920465e-02 -6.117821244e-02 -9.121212299e-02 5.02 -1.364372393e-02 -5.584869618e-02 -8.330476809e-02 5.04 -1.236152725e-02 -5.076076142e-02 -7.574710766e-02 5.06 -1.115505846e-02 -4.593536183e-02 -6.857220068e-02 5.08 -1.002629280e-02 -4.138988119e-02 -6.180773930e-02 5.10 -8.976504041e-03 -3.713730748e-02 -5.547488285e-02 5.12 -8.006105524e-03 -3.318630231e-02 -4.958750893e-02 5.14 -7.114569188e-03 -2.954053934e-02 -4.415192427e-02 5.16 -6.300419010e-03 -2.619877076e-02 -3.916701471e-02 5.18 -5.561288904e-03 -2.315518806e-02 -3.462477760e-02 5.20 -4.894030661e-03 -2.039976511e-02 -3.051088084e-02 5.22 -4.294855410e-03 -1.791903248e-02 -2.680582402e-02 5.24 -3.759492233e-03 -1.569770035e-02 -2.348710634e-02 5.26 -3.283349425e-03 -1.371856411e-02 -2.052921027e-02 5.28 -2.861666890e-03 -1.196322346e-02 -1.790464075e-02 5.30 -2.489651593e-03 -1.041275777e-02 -1.558559492e-02 5.32 -2.162591299e-03 -9.048290687e-03 -1.354421553e-02 5.34 -1.875944756e-03 -7.851438233e-03 -1.175325437e-02 5.36 -1.625408657e-03 -6.804644484e-03 -1.018661284e-02 5.38 -1.406963312e-03 -5.891415469e-03 -8.819719954e-03 5.40 -1.216899823e-03 -5.096465510e-03 -7.629771306e-03 5.42 -1.051831997e-03 -4.405791644e-03 -6.595854447e-03 5.44 -9.086962445e-04 -3.806691525e-03 -5.698985306e-03 5.46 -7.847424591e-04 -3.287738885e-03 -4.922077972e-03 5.48 -6.775185462e-04 -2.838728792e-03 -4.249867106e-03 5.50 -5.848507977e-04 -2.450602874e-03 -3.668798867e-03 5.52 -5.048218971e-04 -2.115362622e-03 -3.166902994e-03 5.54 -4.357479232e-04 -1.825977042e-03 -2.733654897e-03 5.56 -3.761553698e-04 -1.576289286e-03 -2.359840209e-03 5.58 -3.247588986e-04 -1.360925568e-03 -2.037413362e-03 5.60 -2.804403044e-04 -1.175208573e-03 -1.759372088e-03 5.62 -2.422289848e-04 -1.015076747e-03 -1.519635767e-03 5.64 -2.092840633e-04 -8.770101978e-04 -1.312934605e-03 5.66 -1.808782129e-04 -7.579634974e-04 -1.134709092e-03 5.68 -1.563831554e-04 -6.553053391e-04 -9.810196946e-04 5.70 -1.352567615e-04 -5.667647812e-04 -8.484664011e-04 5.72 -1.170316483e-04 -4.903836786e-04 -7.341175090e-04 5.74 -1.013051535e-04 -4.244748200e-04 -6.354469562e-04 5.76 -8.773055910e-05 -3.675852541e-04 -5.502794165e-04 5.78 -7.600943679e-05 -3.184642863e-04 -4.767423837e-04 5.80 -6.588499312e-05 -2.760356387e-04 -4.132244908e-04 5.82 -5.713629804e-05 -2.393732973e-04 -3.583393468e-04 5.84 -4.957329067e-05 -2.076806038e-04 -3.108942330e-04 5.86 -4.303246534e-05 -1.802721907e-04 -2.698630551e-04 5.88 -3.737315068e-05 -1.565583951e-04 -2.343630073e-04 5.90 -3.247430412e-05 -1.360318302e-04 -2.036344661e-04 5.92 -2.823175315e-05 -1.182558245e-04 -1.770236820e-04 5.94 -2.455582280e-05 -1.028544804e-04 -1.539678936e-04 5.96 -2.136929663e-05 -8.950412713e-05 -1.339825327e-04 5.98 -1.860566513e-05 -7.792597950e-05 -1.166502307e-04 6.00 -1.620762145e-05 -6.787983162e-05 -1.016113786e-04