# 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 = AgMo3 # 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 3.651221548e+02 nan nan 1.16 3.356225747e+02 nan nan 1.18 3.085716966e+02 nan nan 1.20 2.837376079e+02 nan nan 1.22 2.609127398e+02 nan nan 1.24 2.399108393e+02 nan nan 1.26 2.205655217e+02 nan nan 1.28 2.027299302e+02 3.156290793e+02 3.625978041e+02 1.30 1.862761986e+02 2.921635696e+02 3.362484517e+02 1.32 1.710937398e+02 2.704810570e+02 3.118425509e+02 1.34 1.570860671e+02 2.504272173e+02 2.892143063e+02 1.36 1.441667851e+02 2.318583330e+02 2.682189039e+02 1.38 1.322559846e+02 2.146426949e+02 2.487302971e+02 1.40 1.212779460e+02 1.986623310e+02 2.306366784e+02 1.42 1.111602255e+02 1.838136799e+02 2.138362420e+02 1.44 1.018336253e+02 1.700066220e+02 1.982347567e+02 1.46 9.323254962e+01 1.571623657e+02 1.837446498e+02 1.48 8.529551325e+01 1.452112368e+02 1.702845814e+02 1.50 7.796571311e+01 1.340910827e+02 1.577788620e+02 1.52 7.119157144e+01 1.237462820e+02 1.461566972e+02 1.54 6.492711827e+01 1.141269575e+02 1.353516080e+02 1.56 5.913207410e+01 1.051880766e+02 1.253013072e+02 1.58 5.377154876e+01 9.688836847e+01 1.159479804e+02 1.60 4.881536288e+01 8.918915433e+01 1.072386504e+02 1.62 4.423706860e+01 8.205326970e+01 9.912529609e+01 1.64 4.001296682e+01 7.544427149e+01 9.156459330e+01 1.66 3.612737581e+01 6.932605977e+01 8.451737972e+01 1.68 3.256200012e+01 6.366292504e+01 7.794807219e+01 1.70 2.929585846e+01 5.841990565e+01 7.182422395e+01 1.72 2.630696281e+01 5.356327090e+01 6.611626137e+01 1.74 2.357353182e+01 4.906097041e+01 6.079730507e+01 1.76 2.107434871e+01 4.488298809e+01 5.584294214e+01 1.78 1.878899840e+01 4.100162840e+01 5.123086913e+01 1.80 1.669801055e+01 3.739547365e+01 4.694041740e+01 1.82 1.478293506e+01 3.404778712e+01 4.295204999e+01 1.84 1.302643402e+01 3.093993743e+01 3.924734523e+01 1.86 1.141245792e+01 2.805444755e+01 3.581381551e+01 1.88 9.926497426e+00 2.537602929e+01 3.263502886e+01 1.90 8.555819921e+00 2.289141714e+01 2.969389437e+01 1.92 7.289575530e+00 2.058880209e+01 2.697342774e+01 1.94 6.118711139e+00 1.845730532e+01 2.445650124e+01 1.96 5.035718868e+00 1.648658710e+01 2.212656506e+01 1.98 4.034303493e+00 1.466661669e+01 1.996776677e+01 2.00 3.109054770e+00 1.298757008e+01 1.796514425e+01 2.02 2.255176947e+00 1.143980003e+01 1.610488208e+01 2.04 1.468291301e+00 1.001383414e+01 1.437457348e+01 2.06 7.443048733e-01 8.700384819e+00 1.276340603e+01 2.08 7.932965939e-02 7.490380227e+00 1.126220816e+01 2.10 -5.303639219e-01 6.375035129e+00 9.863340321e+00 2.12 -1.088372135e+00 5.345969995e+00 8.560462621e+00 2.14 -1.598169628e+00 4.395363392e+00 7.348236318e+00 2.16 -2.063110931e+00 3.516101854e+00 6.222018363e+00 2.18 -2.486421646e+00 2.701886145e+00 5.177593055e+00 2.20 -2.871179221e+00 1.947265808e+00 4.210965604e+00 2.22 -3.220286534e+00 1.247597071e+00 3.318225731e+00 2.24 -3.536445575e+00 5.989407999e-01 2.495477015e+00 2.26 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2.62 -5.447605209e+00 -5.204417159e+00 -4.616543535e+00 2.64 -5.389884186e+00 -5.284943013e+00 -4.740916701e+00 2.66 -5.318223841e+00 -5.351702285e+00 -4.851984827e+00 2.68 -5.233061506e+00 -5.405654823e+00 -4.950874376e+00 2.70 -5.134998884e+00 -5.447684487e+00 -5.038608273e+00 2.72 -5.024833639e+00 -5.478614201e+00 -5.116103412e+00 2.74 -4.903589443e+00 -5.499047204e+00 -5.184189671e+00 2.76 -4.772534344e+00 -5.509193076e+00 -5.243622469e+00 2.78 -4.633177099e+00 -5.509184189e+00 -5.295090617e+00 2.80 -4.487321546e+00 -5.499103437e+00 -5.339220615e+00 2.82 -4.336854518e+00 -5.479099515e+00 -5.376412827e+00 2.84 -4.183468254e+00 -5.449390604e+00 -5.406640782e+00 2.86 -4.028810297e+00 -5.410260567e+00 -5.429856615e+00 2.88 -3.874380996e+00 -5.362058827e+00 -5.446040947e+00 2.90 -3.721445865e+00 -5.305202192e+00 -5.455181981e+00 2.92 -3.570994948e+00 -5.240176144e+00 -5.457256918e+00 2.94 -3.423739132e+00 -5.167532828e+00 -5.452216775e+00 2.96 -3.280098132e+00 -5.087883319e+00 -5.439976164e+00 2.98 -3.140242938e+00 -5.001882736e+00 -5.420409340e+00 3.00 -3.004161179e+00 -4.910218967e+00 -5.393352917e+00 3.02 -2.871729751e+00 -4.813715048e+00 -5.358614552e+00 3.04 -2.742783533e+00 -4.712857257e+00 -5.315985859e+00 3.06 -2.617171211e+00 -4.608006884e+00 -5.265257410e+00 3.08 -2.494792471e+00 -4.499495806e+00 -5.206233715e+00 3.10 -2.375614549e+00 -4.387604046e+00 -5.138746498e+00 3.12 -2.259669708e+00 -4.272546153e+00 -5.062666519e+00 3.14 -2.147038171e+00 -4.154480020e+00 -4.978019455e+00 3.16 -2.037822828e+00 -4.033507334e+00 -4.884729599e+00 3.18 -1.932122398e+00 -3.909669573e+00 -4.782662169e+00 3.20 -1.830008782e+00 -3.782967379e+00 -4.671750083e+00 3.22 -1.731512427e+00 -3.653384926e+00 -4.551997498e+00 3.24 -1.636617258e+00 -3.520916633e+00 -4.423486947e+00 3.26 -1.545264620e+00 -3.385594626e+00 -4.286394292e+00 3.28 -1.457364192e+00 -3.247515542e+00 -4.141024821e+00 3.30 -1.372809021e+00 -3.106865261e+00 -3.987819202e+00 3.32 -1.291491708e+00 -2.963940005e+00 -3.827364191e+00 3.34 -1.213319129e+00 -2.819162025e+00 -3.660412045e+00 3.36 -1.138223703e+00 -2.673087942e+00 -3.487894763e+00 3.38 -1.066169996e+00 -2.526407926e+00 -3.310929197e+00 3.40 -9.971561619e-01 -2.379934340e+00 -3.130809529e+00 3.42 -9.312104779e-01 -2.234579395e+00 -2.948984654e+00 3.44 -8.683837567e-01 -2.091322541e+00 -2.767019853e+00 3.46 -8.087388736e-01 -1.951169763e+00 -2.586544317e+00 3.48 -7.523389161e-01 -1.815108164e+00 -2.409188369e+00 3.50 -6.992354603e-01 -1.684060103e+00 -2.236516061e+00 3.52 -6.494583436e-01 -1.558841353e+00 -2.069959780e+00 3.54 -6.030079545e-01 -1.440127238e+00 -1.910763342e+00 3.56 -5.598506234e-01 -1.328429573e+00 -1.759938904e+00 3.58 -5.199172335e-01 -1.224085764e+00 -1.618240976e+00 3.60 -4.831047650e-01 -1.127259798e+00 -1.486158520e+00 3.62 -4.492801899e-01 -1.037953587e+00 -1.363923888e+00 3.64 -4.182859810e-01 -9.560261911e-01 -1.251535617e+00 3.66 -3.899464744e-01 -8.812180561e-01 -1.148791096e+00 3.68 -3.640742612e-01 -8.131774843e-01 -1.055324799e+00 3.70 -3.404764228e-01 -7.514869349e-01 -9.706481134e-01 3.72 -3.189604832e-01 -6.956873548e-01 -8.941875469e-01 3.74 -2.993382341e-01 -6.452993671e-01 -8.253190258e-01 3.76 -2.814292341e-01 -5.998407311e-01 -7.633969496e-01 3.78 -2.650633177e-01 -5.588399546e-01 -7.077774881e-01 3.80 -2.500821929e-01 -5.218462738e-01 -6.578362243e-01 3.82 -2.363402756e-01 -4.884364235e-01 -6.129806595e-01 3.84 -2.237049147e-01 -4.582187204e-01 -5.726583244e-01 3.86 -2.120561578e-01 -4.308350025e-01 -5.363613184e-01 3.88 -2.012861874e-01 -4.059609389e-01 -5.036280809e-01 3.90 -1.912985388e-01 -3.833051617e-01 -4.740431176e-01 3.92 -1.820071883e-01 -3.626075980e-01 -4.472352961e-01 3.94 -1.733355831e-01 -3.436373102e-01 -4.228752128e-01 3.96 -1.652156585e-01 -3.261900694e-01 -4.006720055e-01 3.98 -1.575868859e-01 -3.100858481e-01 -3.803699162e-01 4.00 -1.503953717e-01 -2.951663449e-01 -3.617447990e-01 4.02 -1.435930246e-01 -2.812926362e-01 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-1.257479053e-01 -1.681862174e-01 4.40 -5.000429865e-02 -1.202324569e-01 -1.622247785e-01 4.42 -4.599316094e-02 -1.149745997e-01 -1.564781596e-01 4.44 -4.209351749e-02 -1.099677888e-01 -1.509310241e-01 4.46 -3.832494022e-02 -1.052035561e-01 -1.455690759e-01 4.48 -3.470773614e-02 -1.006712968e-01 -1.403788918e-01 4.50 -3.126172464e-02 -9.635892068e-02 -1.353477785e-01 4.52 -2.800500785e-02 -9.225301320e-02 -1.304636516e-01 4.54 -2.495278375e-02 -8.833902234e-02 -1.257149443e-01 4.56 -2.211607714e-02 -8.460168943e-02 -1.210905218e-01 4.58 -1.950237324e-02 -8.102545805e-02 -1.165796334e-01 4.60 -1.711468608e-02 -7.759483530e-02 -1.121718781e-01 4.62 -1.495147428e-02 -7.429469331e-02 -1.078571955e-01 4.64 -1.300705337e-02 -7.111051001e-02 -1.036258822e-01 4.66 -1.127222299e-02 -6.802855600e-02 -9.946863533e-02 4.68 -9.735019687e-03 -6.503603883e-02 -9.537662492e-02 4.70 -8.381509899e-03 -6.212121786e-02 -9.134159806e-02 4.72 -7.196552196e-03 -5.927350211e-02 -8.735601473e-02 4.74 -6.164477716e-03 -5.648354189e-02 -8.341321534e-02 4.76 -5.269658732e-03 -5.374332142e-02 -7.950761737e-02 4.78 -4.496953586e-03 -5.104625599e-02 -7.563493494e-02 4.80 -3.832030399e-03 -4.838729308e-02 -7.179241325e-02 4.82 -3.261581375e-03 -4.576301765e-02 -6.797906676e-02 4.84 -2.773444658e-03 -4.317173771e-02 -6.419589498e-02 4.86 -2.356652441e-03 -4.061355453e-02 -6.044606053e-02 4.88 -2.001423515e-03 -3.809039033e-02 -5.673500246e-02 4.90 -1.699116466e-03 -3.560596078e-02 -5.307045836e-02 4.92 -1.442157014e-03 -3.316567634e-02 -4.946237288e-02 4.94 -1.223950338e-03 -3.077645727e-02 -4.592266975e-02 4.96 -1.038786524e-03 -2.844645969e-02 -4.246488379e-02 4.98 -8.817450393e-04 -2.618472344e-02 -3.910366988e-02 5.00 -7.486022555e-04 -2.400074627e-02 -3.585419606e-02 5.02 -6.357446152e-04 -2.190401278e-02 -3.273146410e-02 5.04 -5.400889002e-04 -1.990351080e-02 -2.974960725e-02 5.06 -4.590102566e-04 -1.800727234e-02 -2.692122117e-02 5.08 -3.902781094e-04 -1.622185307e-02 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-1.703897271e-06 -1.082636898e-04 -1.620670169e-04 5.82 -1.481742283e-06 -9.389319583e-05 -1.405543235e-04 5.84 -1.289267677e-06 -8.146963264e-05 -1.219562571e-04 5.86 -1.122412712e-06 -7.072462030e-05 -1.058710384e-04 5.88 -9.776852098e-07 -6.142723978e-05 -9.195296855e-05 5.90 -8.520801439e-07 -5.337877864e-05 -7.990456394e-05 5.92 -7.430101372e-07 -4.640820786e-05 -6.946978458e-05 5.94 -6.482461010e-07 -4.036829116e-05 -6.042820983e-05 5.96 -5.658664876e-07 -3.513224060e-05 -5.259003171e-05 5.98 -4.942138936e-07 -3.059084309e-05 -4.579175300e-05 6.00 -4.318579233e-07 -2.664999237e-05 -3.989249252e-05