# 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 = CoMg2Pt # 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 3.155563799e+02 3.155563799e+02 1.30 2.923428945e+02 2.923428945e+02 1.32 2.708213823e+02 2.708213823e+02 1.34 2.508637352e+02 2.508637352e+02 1.36 2.323554939e+02 2.323554939e+02 1.38 2.151891849e+02 2.151891849e+02 1.40 1.992604787e+02 1.992604787e+02 1.42 1.844687999e+02 1.844687999e+02 1.44 1.707203709e+02 1.707203709e+02 1.46 1.579309436e+02 1.579309436e+02 1.48 1.460267077e+02 1.460267077e+02 1.50 1.349432682e+02 1.349432682e+02 1.52 1.246232907e+02 1.246232907e+02 1.54 1.150138448e+02 1.150138448e+02 1.56 1.060646417e+02 1.060646417e+02 1.58 9.772741085e+01 9.772741085e+01 1.60 8.995591414e+01 8.995591414e+01 1.62 8.270620224e+01 8.270620224e+01 1.64 7.596661864e+01 7.596661864e+01 1.66 6.974223685e+01 6.974223685e+01 1.68 6.399218838e+01 6.399218838e+01 1.70 5.868078444e+01 5.868078444e+01 1.72 5.377687309e+01 5.377687309e+01 1.74 4.925220388e+01 4.925220388e+01 1.76 4.507995799e+01 4.507995799e+01 1.78 4.123406707e+01 4.123406707e+01 1.80 3.768936450e+01 3.768936450e+01 1.82 3.442208272e+01 3.442208272e+01 1.84 3.141020560e+01 3.141020560e+01 1.86 2.863350339e+01 2.863350339e+01 1.88 2.607334204e+01 2.607334204e+01 1.90 2.371244663e+01 2.371244663e+01 1.92 2.153474068e+01 2.153474068e+01 1.94 1.952529074e+01 1.952529074e+01 1.96 1.767034646e+01 1.767034646e+01 1.98 1.595742023e+01 1.595742023e+01 2.00 1.437533535e+01 1.437533535e+01 2.02 1.291417453e+01 1.291417453e+01 2.04 1.156511868e+01 1.156511868e+01 2.06 1.032022311e+01 1.032022311e+01 2.08 9.172197739e+00 9.172197739e+00 2.10 8.114240552e+00 8.114240552e+00 2.12 7.139936098e+00 7.139936098e+00 2.14 6.243215907e+00 6.243215907e+00 2.16 5.418363331e+00 5.418363331e+00 2.18 4.660037439e+00 4.660037439e+00 2.20 3.963296060e+00 3.963296060e+00 2.22 3.323599702e+00 3.323599702e+00 2.24 2.736799158e+00 2.736799158e+00 2.26 2.199111689e+00 2.199111689e+00 2.28 1.707089458e+00 1.707089458e+00 2.30 1.257588080e+00 1.257588080e+00 2.32 8.469791840e-01 8.469791840e-01 2.34 4.717457551e-01 4.717457551e-01 2.36 1.298592884e-01 1.298592884e-01 2.38 -1.806378347e-01 -1.806378347e-01 2.40 -4.616673212e-01 -4.616673212e-01 2.42 -7.151306559e-01 -7.151306559e-01 2.44 -9.429183775e-01 -9.429183775e-01 2.46 -1.146918385e+00 -1.146918385e+00 2.48 -1.329055879e+00 -1.329055879e+00 2.50 -1.491183316e+00 -1.491183316e+00 2.52 -1.635112681e+00 -1.635112681e+00 2.54 -1.762620231e+00 -1.762620231e+00 2.56 -1.875401235e+00 -1.875401235e+00 2.58 -1.975016911e+00 -1.975016911e+00 2.60 -2.062846790e+00 -2.062846790e+00 2.62 -2.140059310e+00 -2.140059310e+00 2.64 -2.207597395e+00 -2.207597395e+00 2.66 -2.266166753e+00 -2.266166753e+00 2.68 -2.316322088e+00 -2.316322088e+00 2.70 -2.358519546e+00 -2.358519546e+00 2.72 -2.393152913e+00 -2.393152913e+00 2.74 -2.420580657e+00 -2.420580657e+00 2.76 -2.441142733e+00 -2.441142733e+00 2.78 -2.455169090e+00 -2.455169090e+00 2.80 -2.462984801e+00 -2.462984801e+00 2.82 -2.464911448e+00 -2.464911448e+00 2.84 -2.461272646e+00 -2.461272646e+00 2.86 -2.452400780e+00 -2.452400780e+00 2.88 -2.438646811e+00 -2.438646811e+00 2.90 -2.420391515e+00 -2.420391515e+00 2.92 -2.398055599e+00 -2.398055599e+00 2.94 -2.372105205e+00 -2.372105205e+00 2.96 -2.343049306e+00 -2.343049306e+00 2.98 -2.311426817e+00 -2.311426817e+00 3.00 -2.277783892e+00 -2.277783892e+00 3.02 -2.242644994e+00 -2.242644994e+00 3.04 -2.206483846e+00 -2.206483846e+00 3.06 -2.169755334e+00 -2.169755334e+00 3.08 -2.132904126e+00 -2.132904126e+00 3.10 -2.096245936e+00 -2.096245936e+00 3.12 -2.059973536e+00 -2.059973536e+00 3.14 -2.024186434e+00 -2.024186434e+00 3.16 -1.988916508e+00 -1.988916508e+00 3.18 -1.954155632e+00 -1.954155632e+00 3.20 -1.919875387e+00 -1.919875387e+00 3.22 -1.886041737e+00 -1.886041737e+00 3.24 -1.852624597e+00 -1.852624597e+00 3.26 -1.819603303e+00 -1.819603303e+00 3.28 -1.786994377e+00 -1.786994377e+00 3.30 -1.754795680e+00 -1.754795680e+00 3.32 -1.722992852e+00 -1.722992852e+00 3.34 -1.691582200e+00 -1.691582200e+00 3.36 -1.660566747e+00 -1.660566747e+00 3.38 -1.629952899e+00 -1.629952899e+00 3.40 -1.599748001e+00 -1.599748001e+00 3.42 -1.569959268e+00 -1.569959268e+00 3.44 -1.540592788e+00 -1.540592788e+00 3.46 -1.511651209e+00 -1.511651209e+00 3.48 -1.483109670e+00 -1.483109670e+00 3.50 -1.454929974e+00 -1.454929974e+00 3.52 -1.427081267e+00 -1.427081267e+00 3.54 -1.399538983e+00 -1.399538983e+00 3.56 -1.372283645e+00 -1.372283645e+00 3.58 -1.345299753e+00 -1.345299753e+00 3.60 -1.318574805e+00 -1.318574805e+00 3.62 -1.292098474e+00 -1.292098474e+00 3.64 -1.265861948e+00 -1.265861948e+00 3.66 -1.239857452e+00 -1.239857452e+00 3.68 -1.214077941e+00 -1.214077941e+00 3.70 -1.188516954e+00 -1.188516954e+00 3.72 -1.163168601e+00 -1.163168601e+00 3.74 -1.138027659e+00 -1.138027659e+00 3.76 -1.113089728e+00 -1.113089728e+00 3.78 -1.088351404e+00 -1.088351404e+00 3.80 -1.063810411e+00 -1.063810411e+00 3.82 -1.039465638e+00 -1.039465638e+00 3.84 -1.015317041e+00 -1.015317041e+00 3.86 -9.913653952e-01 -9.913653952e-01 3.88 -9.676118957e-01 -9.676118957e-01 3.90 -9.440576900e-01 -9.440576900e-01 3.92 -9.207032611e-01 -9.207032611e-01 3.94 -8.975487317e-01 -8.975487317e-01 3.96 -8.745927571e-01 -8.745927571e-01 3.98 -8.518334546e-01 -8.518334546e-01 4.00 -8.292687792e-01 -8.292687792e-01 4.02 -8.068974142e-01 -8.068974142e-01 4.04 -7.847199176e-01 -7.847199176e-01 4.06 -7.627400134e-01 -7.627400134e-01 4.08 -7.409658899e-01 -7.409658899e-01 4.10 -7.194109664e-01 -7.194109664e-01 4.12 -6.980962910e-01 -6.980962910e-01 4.14 -6.770483524e-01 -6.770483524e-01 4.16 -6.563005372e-01 -6.563005372e-01 4.18 -6.358916225e-01 -6.358916225e-01 4.20 -6.158640342e-01 -6.158640342e-01 4.22 -5.962615113e-01 -5.962615113e-01 4.24 -5.771263919e-01 -5.771263919e-01 4.26 -5.584968126e-01 -5.584968126e-01 4.28 -5.404041380e-01 -5.404041380e-01 4.30 -5.228709021e-01 -5.228709021e-01 4.32 -5.059094636e-01 -5.059094636e-01 4.34 -4.895214596e-01 -4.895214596e-01 4.36 -4.736980276e-01 -4.736980276e-01 4.38 -4.584206700e-01 -4.584206700e-01 4.40 -4.436625761e-01 -4.436625761e-01 4.42 -4.293901995e-01 -4.293901995e-01 4.44 -4.155649035e-01 -4.155649035e-01 4.46 -4.021445325e-01 -4.021445325e-01 4.48 -3.890848137e-01 -3.890848137e-01 4.50 -3.763405510e-01 -3.763405510e-01 4.52 -3.638666108e-01 -3.638666108e-01 4.54 -3.516187356e-01 -3.516187356e-01 4.56 -3.395542364e-01 -3.395542364e-01 4.58 -3.276326239e-01 -3.276326239e-01 4.60 -3.158162371e-01 -3.158162371e-01 4.62 -3.040709162e-01 -3.040709162e-01 4.64 -2.923667521e-01 -2.923667521e-01 4.66 -2.806789259e-01 -2.806789259e-01 4.68 -2.689886259e-01 -2.689886259e-01 4.70 -2.572840039e-01 -2.572840039e-01 4.72 -2.455611063e-01 -2.455611063e-01 4.74 -2.338246892e-01 -2.338246892e-01 4.76 -2.220888112e-01 -2.220888112e-01 4.78 -2.103770881e-01 -2.103770881e-01 4.80 -1.987221332e-01 -1.987221332e-01 4.82 -1.871663896e-01 -1.871663896e-01 4.84 -1.757584363e-01 -1.757584363e-01 4.86 -1.645528759e-01 -1.645528759e-01 4.88 -1.536076309e-01 -1.536076309e-01 4.90 -1.429813810e-01 -1.429813810e-01 4.92 -1.327308836e-01 -1.327308836e-01 4.94 -1.229083850e-01 -1.229083850e-01 4.96 -1.135593238e-01 -1.135593238e-01 4.98 -1.047204963e-01 -1.047204963e-01 5.00 -9.641880108e-02 -9.641880108e-02 5.02 -8.867062120e-02 -8.867062120e-02 5.04 -8.148183520e-02 -8.148183520e-02 5.06 -7.484839550e-02 -7.484839550e-02 5.08 -6.875736652e-02 -6.875736652e-02 5.10 -6.318828984e-02 -6.318828984e-02 5.12 -5.811473476e-02 -5.811473476e-02 5.14 -5.350590368e-02 -5.350590368e-02 5.16 -4.932817814e-02 -4.932817814e-02 5.18 -4.554648458e-02 -4.554648458e-02 5.20 -4.212551813e-02 -4.212551813e-02 5.22 -3.903071597e-02 -3.903071597e-02 5.24 -3.622900063e-02 -3.622900063e-02 5.26 -3.368914280e-02 -3.368914280e-02 5.28 -3.138126942e-02 -3.138126942e-02 5.30 -2.927983007e-02 -2.927983007e-02 5.32 -2.736195276e-02 -2.736195276e-02 5.34 -2.560708445e-02 -2.560708445e-02 5.36 -2.399700619e-02 -2.399700619e-02 5.38 -2.251575777e-02 -2.251575777e-02 5.40 -2.114949860e-02 -2.114949860e-02 5.42 -1.988632648e-02 -1.988632648e-02 5.44 -1.871607048e-02 -1.871607048e-02 5.46 -1.763006962e-02 -1.763006962e-02 5.48 -1.662094759e-02 -1.662094759e-02 5.50 -1.568239233e-02 -1.568239233e-02 5.52 -1.480894849e-02 -1.480894849e-02 5.54 -1.399582985e-02 -1.399582985e-02 5.56 -1.323875734e-02 -1.323875734e-02 5.58 -1.253382617e-02 -1.253382617e-02 5.60 -1.187740349e-02 -1.187740349e-02 5.62 -1.126605551e-02 -1.126605551e-02 5.64 -1.069650099e-02 -1.069650099e-02 5.66 -1.016558641e-02 -1.016558641e-02 5.68 -9.670277668e-03 -9.670277668e-03 5.70 -9.207662654e-03 -9.207662654e-03 5.72 -8.774960044e-03 -8.774960044e-03 5.74 -8.369530758e-03 -8.369530758e-03 5.76 -7.988926380e-03 -7.988926380e-03 5.78 -7.630834279e-03 -7.630834279e-03 5.80 -7.293079254e-03 -7.293079254e-03 5.82 -6.973651974e-03 -6.973651974e-03 5.84 -6.670706111e-03 -6.670706111e-03 5.86 -6.382552785e-03 -6.382552785e-03 5.88 -6.107653080e-03 -6.107653080e-03 5.90 -5.844609383e-03 -5.844609383e-03 5.92 -5.592156268e-03 -5.592156268e-03 5.94 -5.349151529e-03 -5.349151529e-03 5.96 -5.114567866e-03 -5.114567866e-03 5.98 -4.887485606e-03 -4.887485606e-03 6.00 -4.667086696e-03 -4.667086696e-03