# 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 = CuMoTa2 # 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 2.880454706e+02 2.880454706e+02 1.30 2.665415153e+02 2.665415153e+02 1.32 2.466584721e+02 2.466584721e+02 1.34 2.282597530e+02 2.282597530e+02 1.36 2.112207451e+02 2.112207451e+02 1.38 1.954284881e+02 1.954284881e+02 1.40 1.807816467e+02 1.807816467e+02 1.42 1.671899999e+02 1.671899999e+02 1.44 1.545728103e+02 1.545728103e+02 1.46 1.428564328e+02 1.428564328e+02 1.48 1.319721337e+02 1.319721337e+02 1.50 1.218549243e+02 1.218549243e+02 1.52 1.124436522e+02 1.124436522e+02 1.54 1.036819792e+02 1.036819792e+02 1.56 9.551950181e+01 9.551950181e+01 1.58 8.791230294e+01 8.791230294e+01 1.60 8.082261087e+01 8.082261087e+01 1.62 7.421769531e+01 7.421769531e+01 1.64 6.806840562e+01 6.806840562e+01 1.66 6.234780023e+01 6.234780023e+01 1.68 5.703017140e+01 5.703017140e+01 1.70 5.209053694e+01 5.209053694e+01 1.72 4.750449630e+01 4.750449630e+01 1.74 4.324830299e+01 4.324830299e+01 1.76 3.929903875e+01 3.929903875e+01 1.78 3.563482092e+01 3.563482092e+01 1.80 3.223500577e+01 3.223500577e+01 1.82 2.908036074e+01 2.908036074e+01 1.84 2.615316822e+01 2.615316822e+01 1.86 2.344202926e+01 2.344202926e+01 1.88 2.093778023e+01 2.093778023e+01 1.90 1.862573966e+01 1.862573966e+01 1.92 1.649397207e+01 1.649397207e+01 1.94 1.452981715e+01 1.452981715e+01 1.96 1.272033838e+01 1.272033838e+01 1.98 1.105309850e+01 1.105309850e+01 2.00 9.516205000e+00 9.516205000e+00 2.02 8.098492178e+00 8.098492178e+00 2.04 6.789725258e+00 6.789725258e+00 2.06 5.580748234e+00 5.580748234e+00 2.08 4.463525616e+00 4.463525616e+00 2.10 3.431074464e+00 3.431074464e+00 2.12 2.477323615e+00 2.477323615e+00 2.14 1.596950109e+00 1.596950109e+00 2.16 7.852291713e-01 7.852291713e-01 2.18 3.791065484e-02 3.791065484e-02 2.20 -6.488821787e-01 -6.488821787e-01 2.22 -1.278740854e+00 -1.278740854e+00 2.24 -1.855053482e+00 -1.855053482e+00 2.26 -2.381081772e+00 -2.381081772e+00 2.28 -2.860029881e+00 -2.860029881e+00 2.30 -3.295096890e+00 -3.295096890e+00 2.32 -3.689501345e+00 -3.689501345e+00 2.34 -4.046468196e+00 -4.046468196e+00 2.36 -4.369177419e+00 -4.369177419e+00 2.38 -4.660686373e+00 -4.660686373e+00 2.40 -4.923847181e+00 -4.923847181e+00 2.42 -5.161240844e+00 -5.161240844e+00 2.44 -5.375141918e+00 -5.375141918e+00 2.46 -5.567516522e+00 -5.567516522e+00 2.48 -5.740047411e+00 -5.740047411e+00 2.50 -5.894175495e+00 -5.894175495e+00 2.52 -6.031147059e+00 -6.031147059e+00 2.54 -6.152042166e+00 -6.152042166e+00 2.56 -6.257662535e+00 -6.257662535e+00 2.58 -6.349026882e+00 -6.349026882e+00 2.60 -6.427153038e+00 -6.427153038e+00 2.62 -6.492975862e+00 -6.492975862e+00 2.64 -6.547365748e+00 -6.547365748e+00 2.66 -6.591140542e+00 -6.591140542e+00 2.68 -6.625071817e+00 -6.625071817e+00 2.70 -6.649886087e+00 -6.649886087e+00 2.72 -6.666167188e+00 -6.666167188e+00 2.74 -6.674142744e+00 -6.674142744e+00 2.76 -6.673933341e+00 -6.673933341e+00 2.78 -6.665830185e+00 -6.665830185e+00 2.80 -6.650132554e+00 -6.650132554e+00 2.82 -6.627120590e+00 -6.627120590e+00 2.84 -6.597058845e+00 -6.597058845e+00 2.86 -6.560203970e+00 -6.560203970e+00 2.88 -6.516813415e+00 -6.516813415e+00 2.90 -6.467152307e+00 -6.467152307e+00 2.92 -6.411496337e+00 -6.411496337e+00 2.94 -6.350080587e+00 -6.350080587e+00 2.96 -6.283047895e+00 -6.283047895e+00 2.98 -6.210758405e+00 -6.210758405e+00 3.00 -6.133320996e+00 -6.133320996e+00 3.02 -6.050599052e+00 -6.050599052e+00 3.04 -5.962505653e+00 -5.962505653e+00 3.06 -5.868990123e+00 -5.868990123e+00 3.08 -5.770027941e+00 -5.770027941e+00 3.10 -5.665614709e+00 -5.665614709e+00 3.12 -5.555767636e+00 -5.555767636e+00 3.14 -5.440549710e+00 -5.440549710e+00 3.16 -5.320056330e+00 -5.320056330e+00 3.18 -5.194413262e+00 -5.194413262e+00 3.20 -5.063792395e+00 -5.063792395e+00 3.22 -4.928428319e+00 -4.928428319e+00 3.24 -4.788633659e+00 -4.788633659e+00 3.26 -4.644811099e+00 -4.644811099e+00 3.28 -4.497460069e+00 -4.497460069e+00 3.30 -4.347176429e+00 -4.347176429e+00 3.32 -4.194644136e+00 -4.194644136e+00 3.34 -4.040618808e+00 -4.040618808e+00 3.36 -3.885904176e+00 -3.885904176e+00 3.38 -3.731323280e+00 -3.731323280e+00 3.40 -3.577686967e+00 -3.577686967e+00 3.42 -3.425762410e+00 -3.425762410e+00 3.44 -3.276244276e+00 -3.276244276e+00 3.46 -3.129730668e+00 -3.129730668e+00 3.48 -2.986705405e+00 -2.986705405e+00 3.50 -2.847527521e+00 -2.847527521e+00 3.52 -2.712428306e+00 -2.712428306e+00 3.54 -2.581515640e+00 -2.581515640e+00 3.56 -2.454784936e+00 -2.454784936e+00 3.58 -2.332135663e+00 -2.332135663e+00 3.60 -2.213392124e+00 -2.213392124e+00 3.62 -2.098327052e+00 -2.098327052e+00 3.64 -1.986686514e+00 -1.986686514e+00 3.66 -1.878214646e+00 -1.878214646e+00 3.68 -1.772676864e+00 -1.772676864e+00 3.70 -1.669880258e+00 -1.669880258e+00 3.72 -1.569690083e+00 -1.569690083e+00 3.74 -1.472041349e+00 -1.472041349e+00 3.76 -1.376944766e+00 -1.376944766e+00 3.78 -1.284486540e+00 -1.284486540e+00 3.80 -1.194821933e+00 -1.194821933e+00 3.82 -1.108162963e+00 -1.108162963e+00 3.84 -1.024761192e+00 -1.024761192e+00 3.86 -9.448870932e-01 -9.448870932e-01 3.88 -8.688079299e-01 -8.688079299e-01 3.90 -7.967662669e-01 -7.967662669e-01 3.92 -7.289611629e-01 -7.289611629e-01 3.94 -6.655336879e-01 -6.655336879e-01 3.96 -6.065577897e-01 -6.065577897e-01 3.98 -5.520368058e-01 -5.520368058e-01 4.00 -5.019052281e-01 -5.019052281e-01 4.02 -4.560347978e-01 -4.560347978e-01 4.04 -4.142437053e-01 -4.142437053e-01 4.06 -3.763075926e-01 -3.763075926e-01 4.08 -3.419711617e-01 -3.419711617e-01 4.10 -3.109594281e-01 -3.109594281e-01 4.12 -2.829879349e-01 -2.829879349e-01 4.14 -2.577715206e-01 -2.577715206e-01 4.16 -2.350314805e-01 -2.350314805e-01 4.18 -2.145011319e-01 -2.145011319e-01 4.20 -1.959299229e-01 -1.959299229e-01 4.22 -1.790862866e-01 -1.790862866e-01 4.24 -1.637594657e-01 -1.637594657e-01 4.26 -1.497605207e-01 -1.497605207e-01 4.28 -1.369226999e-01 -1.369226999e-01 4.30 -1.251013056e-01 -1.251013056e-01 4.32 -1.141731469e-01 -1.141731469e-01 4.34 -1.040356118e-01 -1.040356118e-01 4.36 -9.460536384e-02 -9.460536384e-02 4.38 -8.581665973e-02 -8.581665973e-02 4.40 -7.761931724e-02 -7.761931724e-02 4.42 -6.997633352e-02 -6.997633352e-02 4.44 -6.286117948e-02 -6.286117948e-02 4.46 -5.625469795e-02 -5.625469795e-02 4.48 -5.014331124e-02 -5.014331124e-02 4.50 -4.451579625e-02 -4.451579625e-02 4.52 -3.936094503e-02 -3.936094503e-02 4.54 -3.466593877e-02 -3.466593877e-02 4.56 -3.041525128e-02 -3.041525128e-02 4.58 -2.659012019e-02 -2.659012019e-02 4.60 -2.316853117e-02 -2.316853117e-02 4.62 -2.012543949e-02 -2.012543949e-02 4.64 -1.743345049e-02 -1.743345049e-02 4.66 -1.506440754e-02 -1.506440754e-02 4.68 -1.298946521e-02 -1.298946521e-02 4.70 -1.117986775e-02 -1.117986775e-02 4.72 -9.607653931e-03 -9.607653931e-03 4.74 -8.246205921e-03 -8.246205921e-03 4.76 -7.070639144e-03 -7.070639144e-03 4.78 -6.058045627e-03 -6.058045627e-03 4.80 -5.187612404e-03 -5.187612404e-03 4.82 -4.440641022e-03 -4.440641022e-03 4.84 -3.800490989e-03 -3.800490989e-03 4.86 -3.252472810e-03 -3.252472810e-03 4.88 -2.783707282e-03 -2.783707282e-03 4.90 -2.382967109e-03 -2.382967109e-03 4.92 -2.040512106e-03 -2.040512106e-03 4.94 -1.747926152e-03 -1.747926152e-03 4.96 -1.497961427e-03 -1.497961427e-03 4.98 -1.284393331e-03 -1.284393331e-03 5.00 -1.101887965e-03 -1.101887965e-03 5.02 -9.458828819e-04 -9.458828819e-04 5.04 -8.124810399e-04 -8.124810399e-04 5.06 -6.983574029e-04 -6.983574029e-04 5.08 -6.006772967e-04 -6.006772967e-04 5.10 -5.170254882e-04 -5.170254882e-04 5.12 -4.453448886e-04 -4.453448886e-04 5.14 -3.838837909e-04 -3.838837909e-04 5.16 -3.311506044e-04 -3.311506044e-04 5.18 -2.858751253e-04 -2.858751253e-04 5.20 -2.469754705e-04 -2.469754705e-04 5.22 -2.135298937e-04 -2.135298937e-04 5.24 -1.847527958e-04 -1.847527958e-04 5.26 -1.599743258e-04 -1.599743258e-04 5.28 -1.386230467e-04 -1.386230467e-04 5.30 -1.202112145e-04 -1.202112145e-04 5.32 -1.043222792e-04 -1.043222792e-04 5.34 -9.060027548e-05 -9.060027548e-05 5.36 -7.874081595e-05 -7.874081595e-05 5.38 -6.848344491e-05 -6.848344491e-05 5.40 -5.960514575e-05 -5.960514575e-05 5.42 -5.191482598e-05 -5.191482598e-05 5.44 -4.524863125e-05 -4.524863125e-05 5.46 -3.946596189e-05 -3.946596189e-05 5.48 -3.444608497e-05 -3.444608497e-05 5.50 -3.008525146e-05 -3.008525146e-05 5.52 -2.629424167e-05 -2.629424167e-05 5.54 -2.299627417e-05 -2.299627417e-05 5.56 -2.012522317e-05 -2.012522317e-05 5.58 -1.762409800e-05 -1.762409800e-05 5.60 -1.544374514e-05 -1.544374514e-05 5.62 -1.354173959e-05 -1.354173959e-05 5.64 -1.188143725e-05 -1.188143725e-05 5.66 -1.043116440e-05 -1.043116440e-05 5.68 -9.163523871e-06 -9.163523871e-06 5.70 -8.054800808e-06 -8.054800808e-06 5.72 -7.084453219e-06 -7.084453219e-06 5.74 -6.234675035e-06 -6.234675035e-06 5.76 -5.490020999e-06 -5.490020999e-06 5.78 -4.837084439e-06 -4.837084439e-06 5.80 -4.264220273e-06 -4.264220273e-06 5.82 -3.761306714e-06 -3.761306714e-06 5.84 -3.319540129e-06 -3.319540129e-06 5.86 -2.931258313e-06 -2.931258313e-06 5.88 -2.589788132e-06 -2.589788132e-06 5.90 -2.289314086e-06 -2.289314086e-06 5.92 -2.024764839e-06 -2.024764839e-06 5.94 -1.791715190e-06 -1.791715190e-06 5.96 -1.586301327e-06 -1.586301327e-06 5.98 -1.405147523e-06 -1.405147523e-06 6.00 -1.245302663e-06 -1.245302663e-06