# 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 = FeMoZr2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.223754612e+02 3.223754612e+02 1.30 2.983071760e+02 2.983071760e+02 1.32 2.760482737e+02 2.760482737e+02 1.34 2.554450677e+02 2.554450677e+02 1.36 2.363585032e+02 2.363585032e+02 1.38 2.186639846e+02 2.186639846e+02 1.40 2.022506118e+02 2.022506118e+02 1.42 1.870192148e+02 1.870192148e+02 1.44 1.728801918e+02 1.728801918e+02 1.46 1.597523637e+02 1.597523637e+02 1.48 1.475625807e+02 1.475625807e+02 1.50 1.362448905e+02 1.362448905e+02 1.52 1.257390578e+02 1.257390578e+02 1.54 1.159891270e+02 1.159891270e+02 1.56 1.069427237e+02 1.069427237e+02 1.58 9.855106906e+01 9.855106906e+01 1.60 9.076894864e+01 9.076894864e+01 1.62 8.355418950e+01 8.355418950e+01 1.64 7.686688736e+01 7.686688736e+01 1.66 7.066884626e+01 7.066884626e+01 1.68 6.492345544e+01 6.492345544e+01 1.70 5.959602272e+01 5.959602272e+01 1.72 5.465414626e+01 5.465414626e+01 1.74 5.006798067e+01 5.006798067e+01 1.76 4.581027225e+01 4.581027225e+01 1.78 4.185625373e+01 4.185625373e+01 1.80 3.818338070e+01 3.818338070e+01 1.82 3.477104755e+01 3.477104755e+01 1.84 3.160021651e+01 3.160021651e+01 1.86 2.865328806e+01 2.865328806e+01 1.88 2.591409323e+01 2.591409323e+01 1.90 2.336794768e+01 2.336794768e+01 1.92 2.100159958e+01 2.100159958e+01 1.94 1.880379456e+01 1.880379456e+01 1.96 1.676377811e+01 1.676377811e+01 1.98 1.487266417e+01 1.487266417e+01 2.00 1.312074506e+01 1.312074506e+01 2.02 1.149836391e+01 1.149836391e+01 2.04 9.996390096e+00 9.996390096e+00 2.06 8.606160890e+00 8.606160890e+00 2.08 7.319447149e+00 7.319447149e+00 2.10 6.128443232e+00 6.128443232e+00 2.12 5.025804156e+00 5.025804156e+00 2.14 4.004705929e+00 4.004705929e+00 2.16 3.058930405e+00 3.058930405e+00 2.18 2.182893714e+00 2.182893714e+00 2.20 1.371621472e+00 1.371621472e+00 2.22 6.206484341e-01 6.206484341e-01 2.24 -7.407908145e-02 -7.407908145e-02 2.26 -7.162715695e-01 -7.162715695e-01 2.28 -1.309344300e+00 -1.309344300e+00 2.30 -1.856405227e+00 -1.856405227e+00 2.32 -2.360314161e+00 -2.360314161e+00 2.34 -2.823670014e+00 -2.823670014e+00 2.36 -3.248884169e+00 -3.248884169e+00 2.38 -3.638218184e+00 -3.638218184e+00 2.40 -3.993825110e+00 -3.993825110e+00 2.42 -4.317790166e+00 -4.317790166e+00 2.44 -4.612147306e+00 -4.612147306e+00 2.46 -4.878896793e+00 -4.878896793e+00 2.48 -5.119998613e+00 -5.119998613e+00 2.50 -5.337353163e+00 -5.337353163e+00 2.52 -5.532772866e+00 -5.532772866e+00 2.54 -5.707951903e+00 -5.707951903e+00 2.56 -5.864441395e+00 -5.864441395e+00 2.58 -6.003636597e+00 -6.003636597e+00 2.60 -6.126779776e+00 -6.126779776e+00 2.62 -6.234972998e+00 -6.234972998e+00 2.64 -6.329220633e+00 -6.329220633e+00 2.66 -6.410425416e+00 -6.410425416e+00 2.68 -6.479429483e+00 -6.479429483e+00 2.70 -6.537021967e+00 -6.537021967e+00 2.72 -6.583946241e+00 -6.583946241e+00 2.74 -6.620992988e+00 -6.620992988e+00 2.76 -6.648825406e+00 -6.648825406e+00 2.78 -6.667931028e+00 -6.667931028e+00 2.80 -6.678791246e+00 -6.678791246e+00 2.82 -6.681859354e+00 -6.681859354e+00 2.84 -6.677556213e+00 -6.677556213e+00 2.86 -6.666200004e+00 -6.666200004e+00 2.88 -6.648267201e+00 -6.648267201e+00 2.90 -6.624211022e+00 -6.624211022e+00 2.92 -6.594233135e+00 -6.594233135e+00 2.94 -6.558464975e+00 -6.558464975e+00 2.96 -6.517070739e+00 -6.517070739e+00 2.98 -6.470235185e+00 -6.470235185e+00 3.00 -6.418151923e+00 -6.418151923e+00 3.02 -6.361012922e+00 -6.361012922e+00 3.04 -6.298939006e+00 -6.298939006e+00 3.06 -6.231975112e+00 -6.231975112e+00 3.08 -6.160165028e+00 -6.160165028e+00 3.10 -6.083578910e+00 -6.083578910e+00 3.12 -6.002309696e+00 -6.002309696e+00 3.14 -5.916485489e+00 -5.916485489e+00 3.16 -5.826251810e+00 -5.826251810e+00 3.18 -5.731798747e+00 -5.731798747e+00 3.20 -5.633358804e+00 -5.633358804e+00 3.22 -5.531208989e+00 -5.531208989e+00 3.24 -5.425672318e+00 -5.425672318e+00 3.26 -5.317118705e+00 -5.317118705e+00 3.28 -5.205959170e+00 -5.205959170e+00 3.30 -5.092583020e+00 -5.092583020e+00 3.32 -4.977388010e+00 -4.977388010e+00 3.34 -4.860819729e+00 -4.860819729e+00 3.36 -4.743354255e+00 -4.743354255e+00 3.38 -4.625479534e+00 -4.625479534e+00 3.40 -4.507676984e+00 -4.507676984e+00 3.42 -4.390416159e+00 -4.390416159e+00 3.44 -4.274132766e+00 -4.274132766e+00 3.46 -4.159230432e+00 -4.159230432e+00 3.48 -4.046072881e+00 -4.046072881e+00 3.50 -3.934979189e+00 -3.934979189e+00 3.52 -3.826219574e+00 -3.826219574e+00 3.54 -3.720012051e+00 -3.720012051e+00 3.56 -3.616520487e+00 -3.616520487e+00 3.58 -3.515854556e+00 -3.515854556e+00 3.60 -3.418071829e+00 -3.418071829e+00 3.62 -3.323181951e+00 -3.323181951e+00 3.64 -3.231152596e+00 -3.231152596e+00 3.66 -3.141916740e+00 -3.141916740e+00 3.68 -3.055380745e+00 -3.055380745e+00 3.70 -2.971432806e+00 -2.971432806e+00 3.72 -2.889951332e+00 -2.889951332e+00 3.74 -2.810812975e+00 -2.810812975e+00 3.76 -2.733899981e+00 -2.733899981e+00 3.78 -2.659106544e+00 -2.659106544e+00 3.80 -2.586343778e+00 -2.586343778e+00 3.82 -2.515542849e+00 -2.515542849e+00 3.84 -2.446655838e+00 -2.446655838e+00 3.86 -2.379654058e+00 -2.379654058e+00 3.88 -2.314523893e+00 -2.314523893e+00 3.90 -2.251260660e+00 -2.251260660e+00 3.92 -2.189857742e+00 -2.189857742e+00 3.94 -2.130315368e+00 -2.130315368e+00 3.96 -2.072610299e+00 -2.072610299e+00 3.98 -2.016710103e+00 -2.016710103e+00 4.00 -1.962567719e+00 -1.962567719e+00 4.02 -1.910122937e+00 -1.910122937e+00 4.04 -1.859305415e+00 -1.859305415e+00 4.06 -1.810038457e+00 -1.810038457e+00 4.08 -1.762242821e+00 -1.762242821e+00 4.10 -1.715831365e+00 -1.715831365e+00 4.12 -1.670747952e+00 -1.670747952e+00 4.14 -1.626911938e+00 -1.626911938e+00 4.16 -1.584259459e+00 -1.584259459e+00 4.18 -1.542733107e+00 -1.542733107e+00 4.20 -1.502281851e+00 -1.502281851e+00 4.22 -1.462860642e+00 -1.462860642e+00 4.24 -1.424429837e+00 -1.424429837e+00 4.26 -1.386954528e+00 -1.386954528e+00 4.28 -1.350403851e+00 -1.350403851e+00 4.30 -1.314750326e+00 -1.314750326e+00 4.32 -1.279969252e+00 -1.279969252e+00 4.34 -1.246038176e+00 -1.246038176e+00 4.36 -1.212936434e+00 -1.212936434e+00 4.38 -1.180644775e+00 -1.180644775e+00 4.40 -1.149145052e+00 -1.149145052e+00 4.42 -1.118419979e+00 -1.118419979e+00 4.44 -1.088452937e+00 -1.088452937e+00 4.46 -1.059227829e+00 -1.059227829e+00 4.48 -1.030728971e+00 -1.030728971e+00 4.50 -1.002941010e+00 -1.002941010e+00 4.52 -9.758488616e-01 -9.758488616e-01 4.54 -9.494376738e-01 -9.494376738e-01 4.56 -9.236927927e-01 -9.236927927e-01 4.58 -8.985997440e-01 -8.985997440e-01 4.60 -8.741442189e-01 -8.741442189e-01 4.62 -8.503120646e-01 -8.503120646e-01 4.64 -8.270892775e-01 -8.270892775e-01 4.66 -8.044619984e-01 -8.044619984e-01 4.68 -7.824165084e-01 -7.824165084e-01 4.70 -7.609392250e-01 -7.609392250e-01 4.72 -7.400166976e-01 -7.400166976e-01 4.74 -7.196356034e-01 -7.196356034e-01 4.76 -6.997827408e-01 -6.997827408e-01 4.78 -6.804450239e-01 -6.804450239e-01 4.80 -6.616032654e-01 -6.616032654e-01 4.82 -6.432580560e-01 -6.432580560e-01 4.84 -6.253891589e-01 -6.253891589e-01 4.86 -6.079838925e-01 -6.079838925e-01 4.88 -5.910296351e-01 -5.910296351e-01 4.90 -5.745138129e-01 -5.745138129e-01 4.92 -5.584238878e-01 -5.584238878e-01 4.94 -5.427473444e-01 -5.427473444e-01 4.96 -5.274716783e-01 -5.274716783e-01 4.98 -5.125843839e-01 -5.125843839e-01 5.00 -4.980729457e-01 -4.980729457e-01 5.02 -4.839248313e-01 -4.839248313e-01 5.04 -4.701274904e-01 -4.701274904e-01 5.06 -4.566683589e-01 -4.566683589e-01 5.08 -4.435348725e-01 -4.435348725e-01 5.10 -4.307144912e-01 -4.307144912e-01 5.12 -4.181947379e-01 -4.181947379e-01 5.14 -4.059632543e-01 -4.059632543e-01 5.16 -3.940078780e-01 -3.940078780e-01 5.18 -3.823167435e-01 -3.823167435e-01 5.20 -3.708784101e-01 -3.708784101e-01 5.22 -3.596820192e-01 -3.596820192e-01 5.24 -3.487174800e-01 -3.487174800e-01 5.26 -3.379756823e-01 -3.379756823e-01 5.28 -3.274487303e-01 -3.274487303e-01 5.30 -3.171301860e-01 -3.171301860e-01 5.32 -3.070153093e-01 -3.070153093e-01 5.34 -2.971012712e-01 -2.971012712e-01 5.36 -2.873873189e-01 -2.873873189e-01 5.38 -2.778748613e-01 -2.778748613e-01 5.40 -2.685674515e-01 -2.685674515e-01 5.42 -2.594706409e-01 -2.594706409e-01 5.44 -2.505916924e-01 -2.505916924e-01 5.46 -2.419391529e-01 -2.419391529e-01 5.48 -2.335223015e-01 -2.335223015e-01 5.50 -2.253505074e-01 -2.253505074e-01 5.52 -2.174325483e-01 -2.174325483e-01 5.54 -2.097759443e-01 -2.097759443e-01 5.56 -2.023863676e-01 -2.023863676e-01 5.58 -1.952671777e-01 -1.952671777e-01 5.60 -1.884188866e-01 -1.884188866e-01 5.62 -1.818393802e-01 -1.818393802e-01 5.64 -1.755241829e-01 -1.755241829e-01 5.66 -1.694662369e-01 -1.694662369e-01 5.68 -1.636562248e-01 -1.636562248e-01 5.70 -1.580829647e-01 -1.580829647e-01 5.72 -1.527338369e-01 -1.527338369e-01 5.74 -1.475952052e-01 -1.475952052e-01 5.76 -1.426528065e-01 -1.426528065e-01 5.78 -1.378920896e-01 -1.378920896e-01 5.80 -1.332984958e-01 -1.332984958e-01 5.82 -1.288576797e-01 -1.288576797e-01 5.84 -1.245556738e-01 -1.245556738e-01 5.86 -1.203790052e-01 -1.203790052e-01 5.88 -1.163147740e-01 -1.163147740e-01 5.90 -1.123507032e-01 -1.123507032e-01 5.92 -1.084751707e-01 -1.084751707e-01 5.94 -1.046772327e-01 -1.046772327e-01 5.96 -1.009466462e-01 -1.009466462e-01 5.98 -9.727389719e-02 -9.727389719e-02 6.00 -9.365024147e-02 -9.365024147e-02