# 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 = TaTiW2 # 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 4.060091382e+02 4.060091382e+02 1.30 3.753811250e+02 3.753811250e+02 1.32 3.471050020e+02 3.471050020e+02 1.34 3.209776521e+02 3.209776521e+02 1.36 2.968134365e+02 2.968134365e+02 1.38 2.744442006e+02 2.744442006e+02 1.40 2.537194759e+02 2.537194759e+02 1.42 2.345058222e+02 2.345058222e+02 1.44 2.166849182e+02 2.166849182e+02 1.46 2.001507692e+02 2.001507692e+02 1.48 1.848068155e+02 1.848068155e+02 1.50 1.705638769e+02 1.705638769e+02 1.52 1.573394495e+02 1.573394495e+02 1.54 1.450580416e+02 1.450580416e+02 1.56 1.336516988e+02 1.336516988e+02 1.58 1.230599184e+02 1.230599184e+02 1.60 1.132286601e+02 1.132286601e+02 1.62 1.041087580e+02 1.041087580e+02 1.64 9.565430160e+01 9.565430160e+01 1.66 8.782139979e+01 8.782139979e+01 1.68 8.056748928e+01 8.056748928e+01 1.70 7.385118307e+01 7.385118307e+01 1.72 6.763254227e+01 6.763254227e+01 1.74 6.187355877e+01 6.187355877e+01 1.76 5.653860029e+01 5.653860029e+01 1.78 5.159467239e+01 5.159467239e+01 1.80 4.701151792e+01 4.701151792e+01 1.82 4.276163799e+01 4.276163799e+01 1.84 3.882025310e+01 3.882025310e+01 1.86 3.516515933e+01 3.516515933e+01 1.88 3.177643506e+01 3.177643506e+01 1.90 2.863601346e+01 2.863601346e+01 1.92 2.572719961e+01 2.572719961e+01 1.94 2.303424549e+01 2.303424549e+01 1.96 2.054225861e+01 2.054225861e+01 1.98 1.824031355e+01 1.824031355e+01 2.00 1.611656014e+01 1.611656014e+01 2.02 1.415733273e+01 1.415733273e+01 2.04 1.234964262e+01 1.234964262e+01 2.06 1.068130506e+01 1.068130506e+01 2.08 9.140957900e+00 9.140957900e+00 2.10 7.718068217e+00 7.718068217e+00 2.12 6.402937354e+00 6.402937354e+00 2.14 5.186712726e+00 5.186712726e+00 2.16 4.061405339e+00 4.061405339e+00 2.18 3.019897071e+00 3.019897071e+00 2.20 2.055915243e+00 2.055915243e+00 2.22 1.163959069e+00 1.163959069e+00 2.24 3.391813643e-01 3.391813643e-01 2.26 -4.227542842e-01 -4.227542842e-01 2.28 -1.125813353e+00 -1.125813353e+00 2.30 -1.773703155e+00 -1.773703155e+00 2.32 -2.369946324e+00 -2.369946324e+00 2.34 -2.917913542e+00 -2.917913542e+00 2.36 -3.420826560e+00 -3.420826560e+00 2.38 -3.881745088e+00 -3.881745088e+00 2.40 -4.303550548e+00 -4.303550548e+00 2.42 -4.688933825e+00 -4.688933825e+00 2.44 -5.040389111e+00 -5.040389111e+00 2.46 -5.360214022e+00 -5.360214022e+00 2.48 -5.650514847e+00 -5.650514847e+00 2.50 -5.913215518e+00 -5.913215518e+00 2.52 -6.150068557e+00 -6.150068557e+00 2.54 -6.362666757e+00 -6.362666757e+00 2.56 -6.552455397e+00 -6.552455397e+00 2.58 -6.720745669e+00 -6.720745669e+00 2.60 -6.868730096e+00 -6.868730096e+00 2.62 -6.997500077e+00 -6.997500077e+00 2.64 -7.108039074e+00 -7.108039074e+00 2.66 -7.201153573e+00 -7.201153573e+00 2.68 -7.277850727e+00 -7.277850727e+00 2.70 -7.339136101e+00 -7.339136101e+00 2.72 -7.385900264e+00 -7.385900264e+00 2.74 -7.419111386e+00 -7.419111386e+00 2.76 -7.439771747e+00 -7.439771747e+00 2.78 -7.448850369e+00 -7.448850369e+00 2.80 -7.447277426e+00 -7.447277426e+00 2.82 -7.435631991e+00 -7.435631991e+00 2.84 -7.414067354e+00 -7.414067354e+00 2.86 -7.382773613e+00 -7.382773613e+00 2.88 -7.341989410e+00 -7.341989410e+00 2.90 -7.291873282e+00 -7.291873282e+00 2.92 -7.232621384e+00 -7.232621384e+00 2.94 -7.164579768e+00 -7.164579768e+00 2.96 -7.088192143e+00 -7.088192143e+00 2.98 -7.003933081e+00 -7.003933081e+00 3.00 -6.912376672e+00 -6.912376672e+00 3.02 -6.814172347e+00 -6.814172347e+00 3.04 -6.710011583e+00 -6.710011583e+00 3.06 -6.600589008e+00 -6.600589008e+00 3.08 -6.486560025e+00 -6.486560025e+00 3.10 -6.368419707e+00 -6.368419707e+00 3.12 -6.246450320e+00 -6.246450320e+00 3.14 -6.120830625e+00 -6.120830625e+00 3.16 -5.991644176e+00 -5.991644176e+00 3.18 -5.858890992e+00 -5.858890992e+00 3.20 -5.722508168e+00 -5.722508168e+00 3.22 -5.582396194e+00 -5.582396194e+00 3.24 -5.438447952e+00 -5.438447952e+00 3.26 -5.290578219e+00 -5.290578219e+00 3.28 -5.138752058e+00 -5.138752058e+00 3.30 -4.983010788e+00 -4.983010788e+00 3.32 -4.823494309e+00 -4.823494309e+00 3.34 -4.660458535e+00 -4.660458535e+00 3.36 -4.494286688e+00 -4.494286688e+00 3.38 -4.325493313e+00 -4.325493313e+00 3.40 -4.154720119e+00 -4.154720119e+00 3.42 -3.982723233e+00 -3.982723233e+00 3.44 -3.810351843e+00 -3.810351843e+00 3.46 -3.638519340e+00 -3.638519340e+00 3.48 -3.468168490e+00 -3.468168490e+00 3.50 -3.300233122e+00 -3.300233122e+00 3.52 -3.135599350e+00 -3.135599350e+00 3.54 -2.975069539e+00 -2.975069539e+00 3.56 -2.819332115e+00 -2.819332115e+00 3.58 -2.668939797e+00 -2.668939797e+00 3.60 -2.524298048e+00 -2.524298048e+00 3.62 -2.385664407e+00 -2.385664407e+00 3.64 -2.253158224e+00 -2.253158224e+00 3.66 -2.126779074e+00 -2.126779074e+00 3.68 -2.006431244e+00 -2.006431244e+00 3.70 -1.891951144e+00 -1.891951144e+00 3.72 -1.783134546e+00 -1.783134546e+00 3.74 -1.679760976e+00 -1.679760976e+00 3.76 -1.581613333e+00 -1.581613333e+00 3.78 -1.488491662e+00 -1.488491662e+00 3.80 -1.400220823e+00 -1.400220823e+00 3.82 -1.316652487e+00 -1.316652487e+00 3.84 -1.237662421e+00 -1.237662421e+00 3.86 -1.163144355e+00 -1.163144355e+00 3.88 -1.093001888e+00 -1.093001888e+00 3.90 -1.027139847e+00 -1.027139847e+00 3.92 -9.654563013e-01 -9.654563013e-01 3.94 -9.078363358e-01 -9.078363358e-01 3.96 -8.541476542e-01 -8.541476542e-01 3.98 -8.042388695e-01 -8.042388695e-01 4.00 -7.579398107e-01 -7.579398107e-01 4.02 -7.150636931e-01 -7.150636931e-01 4.04 -6.754106017e-01 -6.754106017e-01 4.06 -6.387717419e-01 -6.387717419e-01 4.08 -6.049339543e-01 -6.049339543e-01 4.10 -5.736839873e-01 -5.736839873e-01 4.12 -5.448125356e-01 -5.448125356e-01 4.14 -5.181174299e-01 -5.181174299e-01 4.16 -4.934064914e-01 -4.934064914e-01 4.18 -4.704989632e-01 -4.704989632e-01 4.20 -4.492267209e-01 -4.492267209e-01 4.22 -4.294348769e-01 -4.294348769e-01 4.24 -4.109818933e-01 -4.109818933e-01 4.26 -3.937393133e-01 -3.937393133e-01 4.28 -3.775912153e-01 -3.775912153e-01 4.30 -3.624334754e-01 -3.624334754e-01 4.32 -3.481729129e-01 -3.481729129e-01 4.34 -3.347263777e-01 -3.347263777e-01 4.36 -3.220198209e-01 -3.220198209e-01 4.38 -3.099873850e-01 -3.099873850e-01 4.40 -2.985705320e-01 -2.985705320e-01 4.42 -2.877172263e-01 -2.877172263e-01 4.44 -2.773811807e-01 -2.773811807e-01 4.46 -2.675211665e-01 -2.675211665e-01 4.48 -2.581003919e-01 -2.581003919e-01 4.50 -2.490859432e-01 -2.490859432e-01 4.52 -2.404482883e-01 -2.404482883e-01 4.54 -2.321608365e-01 -2.321608365e-01 4.56 -2.241995508e-01 -2.241995508e-01 4.58 -2.165426093e-01 -2.165426093e-01 4.60 -2.091701090e-01 -2.091701090e-01 4.62 -2.020638116e-01 -2.020638116e-01 4.64 -1.952069253e-01 -1.952069253e-01 4.66 -1.885839218e-01 -1.885839218e-01 4.68 -1.821803864e-01 -1.821803864e-01 4.70 -1.759828999e-01 -1.759828999e-01 4.72 -1.699789512e-01 -1.699789512e-01 4.74 -1.641568821e-01 -1.641568821e-01 4.76 -1.585058629e-01 -1.585058629e-01 4.78 -1.530158984e-01 -1.530158984e-01 4.80 -1.476778238e-01 -1.476778238e-01 4.82 -1.424835423e-01 -1.424835423e-01 4.84 -1.374258380e-01 -1.374258380e-01 4.86 -1.324986700e-01 -1.324986700e-01 4.88 -1.276972268e-01 -1.276972268e-01 4.90 -1.230180199e-01 -1.230180199e-01 4.92 -1.184589455e-01 -1.184589455e-01 4.94 -1.140192957e-01 -1.140192957e-01 4.96 -1.096997010e-01 -1.096997010e-01 4.98 -1.055019831e-01 -1.055019831e-01 5.00 -1.014289175e-01 -1.014289175e-01 5.02 -9.748391070e-02 -9.748391070e-02 5.04 -9.367061039e-02 -9.367061039e-02 5.06 -8.999248211e-02 -8.999248211e-02 5.08 -8.645233899e-02 -8.645233899e-02 5.10 -8.305194949e-02 -8.305194949e-02 5.12 -7.979204481e-02 -7.979204481e-02 5.14 -7.667191564e-02 -7.667191564e-02 5.16 -7.368933974e-02 -7.368933974e-02 5.18 -7.084064172e-02 -7.084064172e-02 5.20 -6.812084522e-02 -6.812084522e-02 5.22 -6.552388877e-02 -6.552388877e-02 5.24 -6.304287502e-02 -6.304287502e-02 5.26 -6.067032539e-02 -6.067032539e-02 5.28 -5.839841853e-02 -5.839841853e-02 5.30 -5.621919809e-02 -5.621919809e-02 5.32 -5.412474244e-02 -5.412474244e-02 5.34 -5.210729513e-02 -5.210729513e-02 5.36 -5.015935894e-02 -5.015935894e-02 5.38 -4.827375933e-02 -4.827375933e-02 5.40 -4.644368444e-02 -4.644368444e-02 5.42 -4.466270900e-02 -4.466270900e-02 5.44 -4.292480925e-02 -4.292480925e-02 5.46 -4.122437518e-02 -4.122437518e-02 5.48 -3.955622540e-02 -3.955622540e-02 5.50 -3.791562881e-02 -3.791562881e-02 5.52 -3.629833613e-02 -3.629833613e-02 5.54 -3.470062311e-02 -3.470062311e-02 5.56 -3.311934540e-02 -3.311934540e-02 5.58 -3.155200443e-02 -3.155200443e-02 5.60 -2.999682106e-02 -2.999682106e-02 5.62 -2.845281226e-02 -2.845281226e-02 5.64 -2.691986399e-02 -2.691986399e-02 5.66 -2.539879195e-02 -2.539879195e-02 5.68 -2.389138035e-02 -2.389138035e-02 5.70 -2.240038856e-02 -2.240038856e-02 5.72 -2.092951599e-02 -2.092951599e-02 5.74 -1.948331779e-02 -1.948331779e-02 5.76 -1.806706513e-02 -1.806706513e-02 5.78 -1.668642173e-02 -1.668642173e-02 5.80 -1.534745921e-02 -1.534745921e-02 5.82 -1.405637546e-02 -1.405637546e-02 5.84 -1.281911236e-02 -1.281911236e-02 5.86 -1.164108311e-02 -1.164108311e-02 5.88 -1.052692869e-02 -1.052692869e-02 5.90 -9.480322256e-03 -9.480322256e-03 5.92 -8.503835112e-03 -8.503835112e-03 5.94 -7.598871229e-03 -7.598871229e-03 5.96 -6.765669977e-03 -6.765669977e-03 5.98 -6.003370268e-03 -6.003370268e-03 6.00 -5.310124369e-03 -5.310124369e-03