# 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 = Fe2TaZr # 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 2.844005898e+02 2.844005898e+02 1.30 2.616802778e+02 2.616802778e+02 1.32 2.407339155e+02 2.407339155e+02 1.34 2.214095280e+02 2.214095280e+02 1.36 2.035728690e+02 2.035728690e+02 1.38 1.871048863e+02 1.871048863e+02 1.40 1.718992532e+02 1.718992532e+02 1.42 1.578601189e+02 1.578601189e+02 1.44 1.449001953e+02 1.449001953e+02 1.46 1.329394377e+02 1.329394377e+02 1.48 1.219040248e+02 1.219040248e+02 1.50 1.117250964e+02 1.117250964e+02 1.52 1.023374178e+02 1.023374178e+02 1.54 9.367867656e+01 9.367867656e+01 1.56 8.568972375e+01 8.568972375e+01 1.58 7.831547106e+01 7.831547106e+01 1.60 7.150562781e+01 7.150562781e+01 1.62 6.521482240e+01 6.521482240e+01 1.64 5.940219182e+01 5.940219182e+01 1.66 5.403080103e+01 5.403080103e+01 1.68 4.906710914e+01 4.906710914e+01 1.70 4.448056510e+01 4.448056510e+01 1.72 4.024323922e+01 4.024323922e+01 1.74 3.632949172e+01 3.632949172e+01 1.76 3.271567491e+01 3.271567491e+01 1.78 2.937992023e+01 2.937992023e+01 1.80 2.630195849e+01 2.630195849e+01 1.82 2.346298307e+01 2.346298307e+01 1.84 2.084585383e+01 2.084585383e+01 1.86 1.843853786e+01 1.843853786e+01 1.88 1.622641964e+01 1.622641964e+01 1.90 1.419465108e+01 1.419465108e+01 1.92 1.232922033e+01 1.232922033e+01 1.94 1.061707387e+01 1.061707387e+01 1.96 9.045866400e+00 9.045866400e+00 1.98 7.603815731e+00 7.603815731e+00 2.00 6.279751292e+00 6.279751292e+00 2.02 5.063256785e+00 5.063256785e+00 2.04 3.944843388e+00 3.944843388e+00 2.06 2.916074467e+00 2.916074467e+00 2.08 1.969589524e+00 1.969589524e+00 2.10 1.099022778e+00 1.099022778e+00 2.12 2.988661919e-01 2.988661919e-01 2.14 -4.356964015e-01 -4.356964015e-01 2.16 -1.108931346e+00 -1.108931346e+00 2.18 -1.724687876e+00 -1.724687876e+00 2.20 -2.286509646e+00 -2.286509646e+00 2.22 -2.797741017e+00 -2.797741017e+00 2.24 -3.261598983e+00 -3.261598983e+00 2.26 -3.681210100e+00 -3.681210100e+00 2.28 -4.059625472e+00 -4.059625472e+00 2.30 -4.399801086e+00 -4.399801086e+00 2.32 -4.704607897e+00 -4.704607897e+00 2.34 -4.976798145e+00 -4.976798145e+00 2.36 -5.219010028e+00 -5.219010028e+00 2.38 -5.433748509e+00 -5.433748509e+00 2.40 -5.623369313e+00 -5.623369313e+00 2.42 -5.790070900e+00 -5.790070900e+00 2.44 -5.935886933e+00 -5.935886933e+00 2.46 -6.062693708e+00 -6.062693708e+00 2.48 -6.172216021e+00 -6.172216021e+00 2.50 -6.266009138e+00 -6.266009138e+00 2.52 -6.345407310e+00 -6.345407310e+00 2.54 -6.411822229e+00 -6.411822229e+00 2.56 -6.466527793e+00 -6.466527793e+00 2.58 -6.510685664e+00 -6.510685664e+00 2.60 -6.545262211e+00 -6.545262211e+00 2.62 -6.571017356e+00 -6.571017356e+00 2.64 -6.588634593e+00 -6.588634593e+00 2.66 -6.598641705e+00 -6.598641705e+00 2.68 -6.601339512e+00 -6.601339512e+00 2.70 -6.597004053e+00 -6.597004053e+00 2.72 -6.585899673e+00 -6.585899673e+00 2.74 -6.568144260e+00 -6.568144260e+00 2.76 -6.543768861e+00 -6.543768861e+00 2.78 -6.512825507e+00 -6.512825507e+00 2.80 -6.475389133e+00 -6.475389133e+00 2.82 -6.431543112e+00 -6.431543112e+00 2.84 -6.381387313e+00 -6.381387313e+00 2.86 -6.325039085e+00 -6.325039085e+00 2.88 -6.262637715e+00 -6.262637715e+00 2.90 -6.194348623e+00 -6.194348623e+00 2.92 -6.120365878e+00 -6.120365878e+00 2.94 -6.040912158e+00 -6.040912158e+00 2.96 -5.956235819e+00 -5.956235819e+00 2.98 -5.866605395e+00 -5.866605395e+00 3.00 -5.772302915e+00 -5.772302915e+00 3.02 -5.673621374e+00 -5.673621374e+00 3.04 -5.570839032e+00 -5.570839032e+00 3.06 -5.464238819e+00 -5.464238819e+00 3.08 -5.354088636e+00 -5.354088636e+00 3.10 -5.240660720e+00 -5.240660720e+00 3.12 -5.124232931e+00 -5.124232931e+00 3.14 -5.005106651e+00 -5.005106651e+00 3.16 -4.883607713e+00 -4.883607713e+00 3.18 -4.760107465e+00 -4.760107465e+00 3.20 -4.634997716e+00 -4.634997716e+00 3.22 -4.508606120e+00 -4.508606120e+00 3.24 -4.381321619e+00 -4.381321619e+00 3.26 -4.253625893e+00 -4.253625893e+00 3.28 -4.126079411e+00 -4.126079411e+00 3.30 -3.999299886e+00 -3.999299886e+00 3.32 -3.873933202e+00 -3.873933202e+00 3.34 -3.750618618e+00 -3.750618618e+00 3.36 -3.629951850e+00 -3.629951850e+00 3.38 -3.512450655e+00 -3.512450655e+00 3.40 -3.398526140e+00 -3.398526140e+00 3.42 -3.288470688e+00 -3.288470688e+00 3.44 -3.182443561e+00 -3.182443561e+00 3.46 -3.080481375e+00 -3.080481375e+00 3.48 -2.982509423e+00 -2.982509423e+00 3.50 -2.888360210e+00 -2.888360210e+00 3.52 -2.797794753e+00 -2.797794753e+00 3.54 -2.710524329e+00 -2.710524329e+00 3.56 -2.626230950e+00 -2.626230950e+00 3.58 -2.544585574e+00 -2.544585574e+00 3.60 -2.465263612e+00 -2.465263612e+00 3.62 -2.387957709e+00 -2.387957709e+00 3.64 -2.312388041e+00 -2.312388041e+00 3.66 -2.238310457e+00 -2.238310457e+00 3.68 -2.165522780e+00 -2.165522780e+00 3.70 -2.093869510e+00 -2.093869510e+00 3.72 -2.023245006e+00 -2.023245006e+00 3.74 -1.953595109e+00 -1.953595109e+00 3.76 -1.884917046e+00 -1.884917046e+00 3.78 -1.817257374e+00 -1.817257374e+00 3.80 -1.750707714e+00 -1.750707714e+00 3.82 -1.685398141e+00 -1.685398141e+00 3.84 -1.621488229e+00 -1.621488229e+00 3.86 -1.559156069e+00 -1.559156069e+00 3.88 -1.498585893e+00 -1.498585893e+00 3.90 -1.439955276e+00 -1.439955276e+00 3.92 -1.383421055e+00 -1.383421055e+00 3.94 -1.329117797e+00 -1.329117797e+00 3.96 -1.277137141e+00 -1.277137141e+00 3.98 -1.227533658e+00 -1.227533658e+00 4.00 -1.180322075e+00 -1.180322075e+00 4.02 -1.135480006e+00 -1.135480006e+00 4.04 -1.092952850e+00 -1.092952850e+00 4.06 -1.052659788e+00 -1.052659788e+00 4.08 -1.014500392e+00 -1.014500392e+00 4.10 -9.783568595e-01 -9.783568595e-01 4.12 -9.441186317e-01 -9.441186317e-01 4.14 -9.116560005e-01 -9.116560005e-01 4.16 -8.808458490e-01 -8.808458490e-01 4.18 -8.515686693e-01 -8.515686693e-01 4.20 -8.237105545e-01 -8.237105545e-01 4.22 -7.971644852e-01 -7.971644852e-01 4.24 -7.718310509e-01 -7.718310509e-01 4.26 -7.476187407e-01 -7.476187407e-01 4.28 -7.244439135e-01 -7.244439135e-01 4.30 -7.022305438e-01 -7.022305438e-01 4.32 -6.809098181e-01 -6.809098181e-01 4.34 -6.604196394e-01 -6.604196394e-01 4.36 -6.407040855e-01 -6.407040855e-01 4.38 -6.217128516e-01 -6.217128516e-01 4.40 -6.034007014e-01 -6.034007014e-01 4.42 -5.857269408e-01 -5.857269408e-01 4.44 -5.686549247e-01 -5.686549247e-01 4.46 -5.521516016e-01 -5.521516016e-01 4.48 -5.361870984e-01 -5.361870984e-01 4.50 -5.207343464e-01 -5.207343464e-01 4.52 -5.057687456e-01 -5.057687456e-01 4.54 -4.912678671e-01 -4.912678671e-01 4.56 -4.772111888e-01 -4.772111888e-01 4.58 -4.635798634e-01 -4.635798634e-01 4.60 -4.503565138e-01 -4.503565138e-01 4.62 -4.375250544e-01 -4.375250544e-01 4.64 -4.250705342e-01 -4.250705342e-01 4.66 -4.129789999e-01 -4.129789999e-01 4.68 -4.012373765e-01 -4.012373765e-01 4.70 -3.898333623e-01 -3.898333623e-01 4.72 -3.787553374e-01 -3.787553374e-01 4.74 -3.679922836e-01 -3.679922836e-01 4.76 -3.575337134e-01 -3.575337134e-01 4.78 -3.473696082e-01 -3.473696082e-01 4.80 -3.374871859e-01 -3.374871859e-01 4.82 -3.278841005e-01 -3.278841005e-01 4.84 -3.185476195e-01 -3.185476195e-01 4.86 -3.094691211e-01 -3.094691211e-01 4.88 -3.006402262e-01 -3.006402262e-01 4.90 -2.920527672e-01 -2.920527672e-01 4.92 -2.836987593e-01 -2.836987593e-01 4.94 -2.755703745e-01 -2.755703745e-01 4.96 -2.676599186e-01 -2.676599186e-01 4.98 -2.599598102e-01 -2.599598102e-01 5.00 -2.524625631e-01 -2.524625631e-01 5.02 -2.451607719e-01 -2.451607719e-01 5.04 -2.380471014e-01 -2.380471014e-01 5.06 -2.311142799e-01 -2.311142799e-01 5.08 -2.243550998e-01 -2.243550998e-01 5.10 -2.177624230e-01 -2.177624230e-01 5.12 -2.113291963e-01 -2.113291963e-01 5.14 -2.050484758e-01 -2.050484758e-01 5.16 -1.989134632e-01 -1.989134632e-01 5.18 -1.929175556e-01 -1.929175556e-01 5.20 -1.870544100e-01 -1.870544100e-01 5.22 -1.813180234e-01 -1.813180234e-01 5.24 -1.757028292e-01 -1.757028292e-01 5.26 -1.702038075e-01 -1.702038075e-01 5.28 -1.648166067e-01 -1.648166067e-01 5.30 -1.595376717e-01 -1.595376717e-01 5.32 -1.543643686e-01 -1.543643686e-01 5.34 -1.492950975e-01 -1.492950975e-01 5.36 -1.443293773e-01 -1.443293773e-01 5.38 -1.394678896e-01 -1.394678896e-01 5.40 -1.347124686e-01 -1.347124686e-01 5.42 -1.300660223e-01 -1.300660223e-01 5.44 -1.255323793e-01 -1.255323793e-01 5.46 -1.211160597e-01 -1.211160597e-01 5.48 -1.168219843e-01 -1.168219843e-01 5.50 -1.126551314e-01 -1.126551314e-01 5.52 -1.086201729e-01 -1.086201729e-01 5.54 -1.047211199e-01 -1.047211199e-01 5.56 -1.009610090e-01 -1.009610090e-01 5.58 -9.734165569e-02 -9.734165569e-02 5.60 -9.386338509e-02 -9.386338509e-02 5.62 -9.052512667e-02 -9.052512667e-02 5.64 -8.732454227e-02 -8.732454227e-02 5.66 -8.425793619e-02 -8.425793619e-02 5.68 -8.132042526e-02 -8.132042526e-02 5.70 -7.850614819e-02 -7.850614819e-02 5.72 -7.580849116e-02 -7.580849116e-02 5.74 -7.322031094e-02 -7.322031094e-02 5.76 -7.073414101e-02 -7.073414101e-02 5.78 -6.834237121e-02 -6.834237121e-02 5.80 -6.603739633e-02 -6.603739633e-02 5.82 -6.381173291e-02 -6.381173291e-02 5.84 -6.165810630e-02 -6.165810630e-02 5.86 -5.956951208e-02 -5.956951208e-02 5.88 -5.753925688e-02 -5.753925688e-02 5.90 -5.556098404e-02 -5.556098404e-02 5.92 -5.362868928e-02 -5.362868928e-02 5.94 -5.173673135e-02 -5.173673135e-02 5.96 -4.987984173e-02 -4.987984173e-02 5.98 -4.805313714e-02 -4.805313714e-02 6.00 -4.625213746e-02 -4.625213746e-02