# 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 = CoMg2Ta # 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 3.680392591e+02 3.680392591e+02 1.30 3.407944453e+02 3.407944453e+02 1.32 3.156022419e+02 3.156022419e+02 1.34 2.922946653e+02 2.922946653e+02 1.36 2.707212118e+02 2.707212118e+02 1.38 2.507469499e+02 2.507469499e+02 1.40 2.322500766e+02 2.322500766e+02 1.42 2.151194179e+02 2.151194179e+02 1.44 1.992520519e+02 1.992520519e+02 1.46 1.845514025e+02 1.845514025e+02 1.48 1.709262974e+02 1.709262974e+02 1.50 1.582910349e+02 1.582910349e+02 1.52 1.465659587e+02 1.465659587e+02 1.54 1.356780413e+02 1.356780413e+02 1.56 1.255612725e+02 1.255612725e+02 1.58 1.161566365e+02 1.161566365e+02 1.60 1.074115270e+02 1.074115270e+02 1.62 9.927871885e+01 9.927871885e+01 1.64 9.171525496e+01 9.171525496e+01 1.66 8.468180065e+01 8.468180065e+01 1.68 7.814603065e+01 7.814603065e+01 1.70 7.207509966e+01 7.207509966e+01 1.72 6.643696451e+01 6.643696451e+01 1.74 6.120250260e+01 6.120250260e+01 1.76 5.634404234e+01 5.634404234e+01 1.78 5.183544193e+01 5.183544193e+01 1.80 4.765268555e+01 4.765268555e+01 1.82 4.377346523e+01 4.377346523e+01 1.84 4.017701040e+01 4.017701040e+01 1.86 3.684392470e+01 3.684392470e+01 1.88 3.375601566e+01 3.375601566e+01 1.90 3.089613295e+01 3.089613295e+01 1.92 2.824802292e+01 2.824802292e+01 1.94 2.579621938e+01 2.579621938e+01 1.96 2.352599605e+01 2.352599605e+01 1.98 2.142339547e+01 2.142339547e+01 2.00 1.947532301e+01 1.947532301e+01 2.02 1.766966759e+01 1.766966759e+01 2.04 1.599539977e+01 1.599539977e+01 2.06 1.444260466e+01 1.444260466e+01 2.08 1.300243538e+01 1.300243538e+01 2.10 1.166700490e+01 1.166700490e+01 2.12 1.042924403e+01 1.042924403e+01 2.14 9.282757068e+00 9.282757068e+00 2.16 8.221696123e+00 8.221696123e+00 2.18 7.240658871e+00 7.240658871e+00 2.20 6.334609757e+00 6.334609757e+00 2.22 5.498813836e+00 5.498813836e+00 2.24 4.728782781e+00 4.728782781e+00 2.26 4.020230125e+00 4.020230125e+00 2.28 3.369033562e+00 3.369033562e+00 2.30 2.771278206e+00 2.771278206e+00 2.32 2.223178588e+00 2.223178588e+00 2.34 1.720758213e+00 1.720758213e+00 2.36 1.260207993e+00 1.260207993e+00 2.38 8.379480650e-01 8.379480650e-01 2.40 4.506705346e-01 4.506705346e-01 2.42 9.552873885e-02 9.552873885e-02 2.44 -2.296165372e-01 -2.296165372e-01 2.46 -5.267562758e-01 -5.267562758e-01 2.48 -7.978164249e-01 -7.978164249e-01 2.50 -1.044630254e+00 -1.044630254e+00 2.52 -1.268923888e+00 -1.268923888e+00 2.54 -1.472312729e+00 -1.472312729e+00 2.56 -1.656318445e+00 -1.656318445e+00 2.58 -1.822381799e+00 -1.822381799e+00 2.60 -1.971775442e+00 -1.971775442e+00 2.62 -2.105682211e+00 -2.105682211e+00 2.64 -2.225202546e+00 -2.225202546e+00 2.66 -2.331351334e+00 -2.331351334e+00 2.68 -2.425063379e+00 -2.425063379e+00 2.70 -2.507201192e+00 -2.507201192e+00 2.72 -2.578564006e+00 -2.578564006e+00 2.74 -2.639862412e+00 -2.639862412e+00 2.76 -2.691729569e+00 -2.691729569e+00 2.78 -2.734770367e+00 -2.734770367e+00 2.80 -2.769564554e+00 -2.769564554e+00 2.82 -2.796664222e+00 -2.796664222e+00 2.84 -2.816594160e+00 -2.816594160e+00 2.86 -2.829851264e+00 -2.829851264e+00 2.88 -2.836904882e+00 -2.836904882e+00 2.90 -2.838197729e+00 -2.838197729e+00 2.92 -2.834147239e+00 -2.834147239e+00 2.94 -2.825147294e+00 -2.825147294e+00 2.96 -2.811570145e+00 -2.811570145e+00 2.98 -2.793768267e+00 -2.793768267e+00 3.00 -2.772075763e+00 -2.772075763e+00 3.02 -2.746808844e+00 -2.746808844e+00 3.04 -2.718264845e+00 -2.718264845e+00 3.06 -2.686721502e+00 -2.686721502e+00 3.08 -2.652433175e+00 -2.652433175e+00 3.10 -2.615630980e+00 -2.615630980e+00 3.12 -2.576523082e+00 -2.576523082e+00 3.14 -2.535300619e+00 -2.535300619e+00 3.16 -2.492141267e+00 -2.492141267e+00 3.18 -2.447220027e+00 -2.447220027e+00 3.20 -2.400717705e+00 -2.400717705e+00 3.22 -2.352829198e+00 -2.352829198e+00 3.24 -2.303769679e+00 -2.303769679e+00 3.26 -2.253777591e+00 -2.253777591e+00 3.28 -2.203113672e+00 -2.203113672e+00 3.30 -2.152055701e+00 -2.152055701e+00 3.32 -2.100889357e+00 -2.100889357e+00 3.34 -2.049896315e+00 -2.049896315e+00 3.36 -1.999341286e+00 -1.999341286e+00 3.38 -1.949477254e+00 -1.949477254e+00 3.40 -1.900519924e+00 -1.900519924e+00 3.42 -1.852586357e+00 -1.852586357e+00 3.44 -1.805750786e+00 -1.805750786e+00 3.46 -1.760047135e+00 -1.760047135e+00 3.48 -1.715472227e+00 -1.715472227e+00 3.50 -1.671991085e+00 -1.671991085e+00 3.52 -1.629543367e+00 -1.629543367e+00 3.54 -1.588036613e+00 -1.588036613e+00 3.56 -1.547295473e+00 -1.547295473e+00 3.58 -1.507121167e+00 -1.507121167e+00 3.60 -1.467323364e+00 -1.467323364e+00 3.62 -1.427723988e+00 -1.427723988e+00 3.64 -1.388161191e+00 -1.388161191e+00 3.66 -1.348493430e+00 -1.348493430e+00 3.68 -1.308603662e+00 -1.308603662e+00 3.70 -1.268403622e+00 -1.268403622e+00 3.72 -1.227837953e+00 -1.227837953e+00 3.74 -1.186887887e+00 -1.186887887e+00 3.76 -1.145574006e+00 -1.145574006e+00 3.78 -1.103957579e+00 -1.103957579e+00 3.80 -1.062139972e+00 -1.062139972e+00 3.82 -1.020259747e+00 -1.020259747e+00 3.84 -9.784872852e-01 -9.784872852e-01 3.86 -9.370170672e-01 -9.370170672e-01 3.88 -8.960580714e-01 -8.960580714e-01 3.90 -8.558230566e-01 -8.558230566e-01 3.92 -8.165175061e-01 -8.165175061e-01 3.94 -7.783303918e-01 -7.783303918e-01 3.96 -7.414246899e-01 -7.414246899e-01 3.98 -7.059323538e-01 -7.059323538e-01 4.00 -6.719508573e-01 -6.719508573e-01 4.02 -6.395425596e-01 -6.395425596e-01 4.04 -6.087363228e-01 -6.087363228e-01 4.06 -5.795308644e-01 -5.795308644e-01 4.08 -5.518992626e-01 -5.518992626e-01 4.10 -5.257934152e-01 -5.257934152e-01 4.12 -5.011519785e-01 -5.011519785e-01 4.14 -4.779010747e-01 -4.779010747e-01 4.16 -4.559618332e-01 -4.559618332e-01 4.18 -4.352534466e-01 -4.352534466e-01 4.20 -4.156963040e-01 -4.156963040e-01 4.22 -3.972143528e-01 -3.972143528e-01 4.24 -3.797366868e-01 -3.797366868e-01 4.26 -3.631983901e-01 -3.631983901e-01 4.28 -3.475407038e-01 -3.475407038e-01 4.30 -3.327106249e-01 -3.327106249e-01 4.32 -3.186600889e-01 -3.186600889e-01 4.34 -3.053449217e-01 -3.053449217e-01 4.36 -2.927237525e-01 -2.927237525e-01 4.38 -2.807570573e-01 -2.807570573e-01 4.40 -2.694064528e-01 -2.694064528e-01 4.42 -2.586342894e-01 -2.586342894e-01 4.44 -2.484035319e-01 -2.484035319e-01 4.46 -2.386778638e-01 -2.386778638e-01 4.48 -2.294219289e-01 -2.294219289e-01 4.50 -2.206016257e-01 -2.206016257e-01 4.52 -2.121843847e-01 -2.121843847e-01 4.54 -2.041393860e-01 -2.041393860e-01 4.56 -1.964376960e-01 -1.964376960e-01 4.58 -1.890523252e-01 -1.890523252e-01 4.60 -1.819582190e-01 -1.819582190e-01 4.62 -1.751322018e-01 -1.751322018e-01 4.64 -1.685528956e-01 -1.685528956e-01 4.66 -1.622006348e-01 -1.622006348e-01 4.68 -1.560573920e-01 -1.560573920e-01 4.70 -1.501067318e-01 -1.501067318e-01 4.72 -1.443337993e-01 -1.443337993e-01 4.74 -1.387253497e-01 -1.387253497e-01 4.76 -1.332698192e-01 -1.332698192e-01 4.78 -1.279574296e-01 -1.279574296e-01 4.80 -1.227799167e-01 -1.227799167e-01 4.82 -1.177323360e-01 -1.177323360e-01 4.84 -1.128105437e-01 -1.128105437e-01 4.86 -1.080130981e-01 -1.080130981e-01 4.88 -1.033407463e-01 -1.033407463e-01 4.90 -9.879628241e-02 -9.879628241e-02 4.92 -9.438427223e-02 -9.438427223e-02 4.94 -9.011064102e-02 -9.011064102e-02 4.96 -8.598212055e-02 -8.598212055e-02 4.98 -8.200562952e-02 -8.200562952e-02 5.00 -7.818761902e-02 -7.818761902e-02 5.02 -7.453345180e-02 -7.453345180e-02 5.04 -7.104688169e-02 -7.104688169e-02 5.06 -6.772968479e-02 -6.772968479e-02 5.08 -6.458147153e-02 -6.458147153e-02 5.10 -6.159953782e-02 -6.159953782e-02 5.12 -5.877860585e-02 -5.877860585e-02 5.14 -5.611267543e-02 -5.611267543e-02 5.16 -5.359443335e-02 -5.359443335e-02 5.18 -5.121549874e-02 -5.121549874e-02 5.20 -4.896684855e-02 -4.896684855e-02 5.22 -4.683920391e-02 -4.683920391e-02 5.24 -4.482335890e-02 -4.482335890e-02 5.26 -4.291044429e-02 -4.291044429e-02 5.28 -4.109212632e-02 -4.109212632e-02 5.30 -3.936074596e-02 -3.936074596e-02 5.32 -3.770940604e-02 -3.770940604e-02 5.34 -3.613201446e-02 -3.613201446e-02 5.36 -3.462329067e-02 -3.462329067e-02 5.38 -3.317874210e-02 -3.317874210e-02 5.40 -3.179461450e-02 -3.179461450e-02 5.42 -3.046782083e-02 -3.046782083e-02 5.44 -2.919585278e-02 -2.919585278e-02 5.46 -2.797667894e-02 -2.797667894e-02 5.48 -2.680863481e-02 -2.680863481e-02 5.50 -2.569031061e-02 -2.569031061e-02 5.52 -2.462044309e-02 -2.462044309e-02 5.54 -2.359781797e-02 -2.359781797e-02 5.56 -2.262118843e-02 -2.262118843e-02 5.58 -2.168921369e-02 -2.168921369e-02 5.60 -2.080041953e-02 -2.080041953e-02 5.62 -1.995318049e-02 -1.995318049e-02 5.64 -1.914572131e-02 -1.914572131e-02 5.66 -1.837613393e-02 -1.837613393e-02 5.68 -1.764240523e-02 -1.764240523e-02 5.70 -1.694245092e-02 -1.694245092e-02 5.72 -1.627415126e-02 -1.627415126e-02 5.74 -1.563538488e-02 -1.563538488e-02 5.76 -1.502403166e-02 -1.502403166e-02 5.78 -1.443804250e-02 -1.443804250e-02 5.80 -1.387546060e-02 -1.387546060e-02 5.82 -1.333441522e-02 -1.333441522e-02 5.84 -1.281313065e-02 -1.281313065e-02 5.86 -1.230993115e-02 -1.230993115e-02 5.88 -1.182324295e-02 -1.182324295e-02 5.90 -1.135159427e-02 -1.135159427e-02 5.92 -1.089361435e-02 -1.089361435e-02 5.94 -1.044803226e-02 -1.044803226e-02 5.96 -1.001367628e-02 -1.001367628e-02 5.98 -9.589474264e-03 -9.589474264e-03 6.00 -9.174455435e-03 -9.174455435e-03