# 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 = Ag2CoNi # 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 1.879777067e+02 1.879777067e+02 1.30 1.732614938e+02 1.732614938e+02 1.32 1.596897693e+02 1.596897693e+02 1.34 1.471669807e+02 1.471669807e+02 1.36 1.356067150e+02 1.356067150e+02 1.38 1.249314108e+02 1.249314108e+02 1.40 1.150711106e+02 1.150711106e+02 1.42 1.059620074e+02 1.059620074e+02 1.44 9.754517755e+01 9.754517755e+01 1.46 8.976578180e+01 8.976578180e+01 1.48 8.257295743e+01 8.257295743e+01 1.50 7.592011163e+01 7.592011163e+01 1.52 6.976501524e+01 6.976501524e+01 1.54 6.406943891e+01 6.406943891e+01 1.56 5.879852737e+01 5.879852737e+01 1.58 5.392020782e+01 5.392020782e+01 1.60 4.940479668e+01 4.940479668e+01 1.62 4.522548702e+01 4.522548702e+01 1.64 4.136016879e+01 4.136016879e+01 1.66 3.778577254e+01 3.778577254e+01 1.68 3.448026217e+01 3.448026217e+01 1.70 3.142327036e+01 3.142327036e+01 1.72 2.859600609e+01 2.859600609e+01 1.74 2.598111711e+01 2.598111711e+01 1.76 2.356254517e+01 2.356254517e+01 1.78 2.132546738e+01 2.132546738e+01 1.80 1.925633385e+01 1.925633385e+01 1.82 1.734290525e+01 1.734290525e+01 1.84 1.557418768e+01 1.557418768e+01 1.86 1.394024370e+01 1.394024370e+01 1.88 1.243193452e+01 1.243193452e+01 1.90 1.104067191e+01 1.104067191e+01 1.92 9.758240494e+00 9.758240494e+00 1.94 8.576721533e+00 8.576721533e+00 1.96 7.488515603e+00 7.488515603e+00 1.98 6.486428981e+00 6.486428981e+00 2.00 5.563772350e+00 5.563772350e+00 2.02 4.714428672e+00 4.714428672e+00 2.04 3.932867506e+00 3.932867506e+00 2.06 3.214105088e+00 3.214105088e+00 2.08 2.553628392e+00 2.553628392e+00 2.10 1.947309856e+00 1.947309856e+00 2.12 1.391334181e+00 1.391334181e+00 2.14 8.821466748e-01 8.821466748e-01 2.16 4.164227205e-01 4.164227205e-01 2.18 -8.947263908e-03 -8.947263908e-03 2.20 -3.968650347e-01 -3.968650347e-01 2.22 -7.500310786e-01 -7.500310786e-01 2.24 -1.070954726e+00 -1.070954726e+00 2.26 -1.361968482e+00 -1.361968482e+00 2.28 -1.625245456e+00 -1.625245456e+00 2.30 -1.862818308e+00 -1.862818308e+00 2.32 -2.076596969e+00 -2.076596969e+00 2.34 -2.268380408e+00 -2.268380408e+00 2.36 -2.439858393e+00 -2.439858393e+00 2.38 -2.592604123e+00 -2.592604123e+00 2.40 -2.728073818e+00 -2.728073818e+00 2.42 -2.847628388e+00 -2.847628388e+00 2.44 -2.952426088e+00 -2.952426088e+00 2.46 -3.043525100e+00 -3.043525100e+00 2.48 -3.121920159e+00 -3.121920159e+00 2.50 -3.188559710e+00 -3.188559710e+00 2.52 -3.244358570e+00 -3.244358570e+00 2.54 -3.290206713e+00 -3.290206713e+00 2.56 -3.326926471e+00 -3.326926471e+00 2.58 -3.355133231e+00 -3.355133231e+00 2.60 -3.375414274e+00 -3.375414274e+00 2.62 -3.388382107e+00 -3.388382107e+00 2.64 -3.394649470e+00 -3.394649470e+00 2.66 -3.394804467e+00 -3.394804467e+00 2.68 -3.389392667e+00 -3.389392667e+00 2.70 -3.378922977e+00 -3.378922977e+00 2.72 -3.364047192e+00 -3.364047192e+00 2.74 -3.345052368e+00 -3.345052368e+00 2.76 -3.322112056e+00 -3.322112056e+00 2.78 -3.295422875e+00 -3.295422875e+00 2.80 -3.265194054e+00 -3.265194054e+00 2.82 -3.231637111e+00 -3.231637111e+00 2.84 -3.194958034e+00 -3.194958034e+00 2.86 -3.155353861e+00 -3.155353861e+00 2.88 -3.113022990e+00 -3.113022990e+00 2.90 -3.068166411e+00 -3.068166411e+00 2.92 -3.020980069e+00 -3.020980069e+00 2.94 -2.971660729e+00 -2.971660729e+00 2.96 -2.920412396e+00 -2.920412396e+00 2.98 -2.867451992e+00 -2.867451992e+00 3.00 -2.813013330e+00 -2.813013330e+00 3.02 -2.757348174e+00 -2.757348174e+00 3.04 -2.700723246e+00 -2.700723246e+00 3.06 -2.643412812e+00 -2.643412812e+00 3.08 -2.585687619e+00 -2.585687619e+00 3.10 -2.527802314e+00 -2.527802314e+00 3.12 -2.469983989e+00 -2.469983989e+00 3.14 -2.412424266e+00 -2.412424266e+00 3.16 -2.355276096e+00 -2.355276096e+00 3.18 -2.298655176e+00 -2.298655176e+00 3.20 -2.242644795e+00 -2.242644795e+00 3.22 -2.187302514e+00 -2.187302514e+00 3.24 -2.132667204e+00 -2.132667204e+00 3.26 -2.078765380e+00 -2.078765380e+00 3.28 -2.025616276e+00 -2.025616276e+00 3.30 -1.973235503e+00 -1.973235503e+00 3.32 -1.921637400e+00 -1.921637400e+00 3.34 -1.870836313e+00 -1.870836313e+00 3.36 -1.820847052e+00 -1.820847052e+00 3.38 -1.771684791e+00 -1.771684791e+00 3.40 -1.723364600e+00 -1.723364600e+00 3.42 -1.675900785e+00 -1.675900785e+00 3.44 -1.629306170e+00 -1.629306170e+00 3.46 -1.583591413e+00 -1.583591413e+00 3.48 -1.538764445e+00 -1.538764445e+00 3.50 -1.494830063e+00 -1.494830063e+00 3.52 -1.451789702e+00 -1.451789702e+00 3.54 -1.409641381e+00 -1.409641381e+00 3.56 -1.368379798e+00 -1.368379798e+00 3.58 -1.327996548e+00 -1.327996548e+00 3.60 -1.288480426e+00 -1.288480426e+00 3.62 -1.249817798e+00 -1.249817798e+00 3.64 -1.211993041e+00 -1.211993041e+00 3.66 -1.174989049e+00 -1.174989049e+00 3.68 -1.138787835e+00 -1.138787835e+00 3.70 -1.103371228e+00 -1.103371228e+00 3.72 -1.068721684e+00 -1.068721684e+00 3.74 -1.034823177e+00 -1.034823177e+00 3.76 -1.001662111e+00 -1.001662111e+00 3.78 -9.692281553e-01 -9.692281553e-01 3.80 -9.375148845e-01 -9.375148845e-01 3.82 -9.065200699e-01 -9.065200699e-01 3.84 -8.762455071e-01 -8.762455071e-01 3.86 -8.466962957e-01 -8.466962957e-01 3.88 -8.178795819e-01 -8.178795819e-01 3.90 -7.898028720e-01 -7.898028720e-01 3.92 -7.624721225e-01 -7.624721225e-01 3.94 -7.358898776e-01 -7.358898776e-01 3.96 -7.100537124e-01 -7.100537124e-01 3.98 -6.849552070e-01 -6.849552070e-01 4.00 -6.605795493e-01 -6.605795493e-01 4.02 -6.369057664e-01 -6.369057664e-01 4.04 -6.139074915e-01 -6.139074915e-01 4.06 -5.915541154e-01 -5.915541154e-01 4.08 -5.698121701e-01 -5.698121701e-01 4.10 -5.486468060e-01 -5.486468060e-01 4.12 -5.280232796e-01 -5.280232796e-01 4.14 -5.079083592e-01 -5.079083592e-01 4.16 -4.882716503e-01 -4.882716503e-01 4.18 -4.690867785e-01 -4.690867785e-01 4.20 -4.503323998e-01 -4.503323998e-01 4.22 -4.319929866e-01 -4.319929866e-01 4.24 -4.140593192e-01 -4.140593192e-01 4.26 -3.965286228e-01 -3.965286228e-01 4.28 -3.794043030e-01 -3.794043030e-01 4.30 -3.626952761e-01 -3.626952761e-01 4.32 -3.464149448e-01 -3.464149448e-01 4.34 -3.305799187e-01 -3.305799187e-01 4.36 -3.152086173e-01 -3.152086173e-01 4.38 -3.003198948e-01 -3.003198948e-01 4.40 -2.859317984e-01 -2.859317984e-01 4.42 -2.720605230e-01 -2.720605230e-01 4.44 -2.587195653e-01 -2.587195653e-01 4.46 -2.459190434e-01 -2.459190434e-01 4.48 -2.336651301e-01 -2.336651301e-01 4.50 -2.219595651e-01 -2.219595651e-01 4.52 -2.107992431e-01 -2.107992431e-01 4.54 -2.001759066e-01 -2.001759066e-01 4.56 -1.900760024e-01 -1.900760024e-01 4.58 -1.804807544e-01 -1.804807544e-01 4.60 -1.713664922e-01 -1.713664922e-01 4.62 -1.627052389e-01 -1.627052389e-01 4.64 -1.544655276e-01 -1.544655276e-01 4.66 -1.466133882e-01 -1.466133882e-01 4.68 -1.391134325e-01 -1.391134325e-01 4.70 -1.319299682e-01 -1.319299682e-01 4.72 -1.250280802e-01 -1.250280802e-01 4.74 -1.183746395e-01 -1.183746395e-01 4.76 -1.119392123e-01 -1.119392123e-01 4.78 -1.056948567e-01 -1.056948567e-01 4.80 -9.961879843e-02 -9.961879843e-02 4.82 -9.369298382e-02 -9.369298382e-02 4.84 -8.790447772e-02 -8.790447772e-02 4.86 -8.224570799e-02 -8.224570799e-02 4.88 -7.671451217e-02 -7.671451217e-02 4.90 -7.131396087e-02 -7.131396087e-02 4.92 -6.605193348e-02 -6.605193348e-02 4.94 -6.094043779e-02 -6.094043779e-02 4.96 -5.599468673e-02 -5.599468673e-02 4.98 -5.123169595e-02 -5.123169595e-02 5.00 -4.666957683e-02 -4.666957683e-02 5.02 -4.232624181e-02 -4.232624181e-02 5.04 -3.821790369e-02 -3.821790369e-02 5.06 -3.435804167e-02 -3.435804167e-02 5.08 -3.075661178e-02 -3.075661178e-02 5.10 -2.741954737e-02 -2.741954737e-02 5.12 -2.434856178e-02 -2.434856178e-02 5.14 -2.154123575e-02 -2.154123575e-02 5.16 -1.899134148e-02 -1.899134148e-02 5.18 -1.668934379e-02 -1.668934379e-02 5.20 -1.462288317e-02 -1.462288317e-02 5.22 -1.277749272e-02 -1.277749272e-02 5.24 -1.113774216e-02 -1.113774216e-02 5.26 -9.687354719e-03 -9.687354719e-03 5.28 -8.409745086e-03 -8.409745086e-03 5.30 -7.288486956e-03 -7.288486956e-03 5.32 -6.307680002e-03 -6.307680002e-03 5.34 -5.452220664e-03 -5.452220664e-03 5.36 -4.707986496e-03 -4.707986496e-03 5.38 -4.061946746e-03 -4.061946746e-03 5.40 -3.502212859e-03 -3.502212859e-03 5.42 -3.018042236e-03 -3.018042236e-03 5.44 -2.599807338e-03 -2.599807338e-03 5.46 -2.238940556e-03 -2.238940556e-03 5.48 -1.927863441e-03 -1.927863441e-03 5.50 -1.659907101e-03 -1.659907101e-03 5.52 -1.429228962e-03 -1.429228962e-03 5.54 -1.230729693e-03 -1.230729693e-03 5.56 -1.059972954e-03 -1.059972954e-03 5.58 -9.131097231e-04 -9.131097231e-04 5.60 -7.868082263e-04 -7.868082263e-04 5.62 -6.781900023e-04 -6.781900023e-04 5.64 -5.847722287e-04 -5.847722287e-04 5.66 -5.044161872e-04 -5.044161872e-04 5.68 -4.352815671e-04 -4.352815671e-04 5.70 -3.757862040e-04 -3.757862040e-04 5.72 -3.245707947e-04 -3.245707947e-04 5.74 -2.804681090e-04 -2.804681090e-04 5.76 -2.424762243e-04 -2.424762243e-04 5.78 -2.097353284e-04 -2.097353284e-04 5.80 -1.815076670e-04 -1.815076670e-04 5.82 -1.571602455e-04 -1.571602455e-04 5.84 -1.361499337e-04 -1.361499337e-04 5.86 -1.180106571e-04 -1.180106571e-04 5.88 -1.023423969e-04 -1.023423969e-04 5.90 -8.880175047e-05 -8.880175047e-05 5.92 -7.709383806e-05 -7.709383806e-05 5.94 -6.696536729e-05 -6.696536729e-05 5.96 -5.819869220e-05 -5.819869220e-05 5.98 -5.060672593e-05 -5.060672593e-05 6.00 -4.402858490e-05 -4.402858490e-05