# 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 = MoPdTa2 # 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 3.908762008e+02 3.908762008e+02 1.30 3.629156818e+02 3.629156818e+02 1.32 3.370046206e+02 3.370046206e+02 1.34 3.129878749e+02 3.129878749e+02 1.36 2.907189768e+02 2.907189768e+02 1.38 2.700584295e+02 2.700584295e+02 1.40 2.508744477e+02 2.508744477e+02 1.42 2.330449308e+02 2.330449308e+02 1.44 2.164590161e+02 2.164590161e+02 1.46 2.010173120e+02 2.010173120e+02 1.48 1.866310058e+02 1.866310058e+02 1.50 1.732205225e+02 1.732205225e+02 1.52 1.607142343e+02 1.607142343e+02 1.54 1.490473694e+02 1.490473694e+02 1.56 1.381610750e+02 1.381610750e+02 1.58 1.280015840e+02 1.280015840e+02 1.60 1.185194884e+02 1.185194884e+02 1.62 1.096691501e+02 1.096691501e+02 1.64 1.014082710e+02 1.014082710e+02 1.66 9.369760961e+01 9.369760961e+01 1.68 8.650077351e+01 8.650077351e+01 1.70 7.978397739e+01 7.978397739e+01 1.72 7.351568637e+01 7.351568637e+01 1.74 6.766617446e+01 6.766617446e+01 1.76 6.220712731e+01 6.220712731e+01 1.78 5.711141668e+01 5.711141668e+01 1.80 5.235308958e+01 5.235308958e+01 1.82 4.790752720e+01 4.790752720e+01 1.84 4.375168076e+01 4.375168076e+01 1.86 3.986428991e+01 3.986428991e+01 1.88 3.622777486e+01 3.622777486e+01 1.90 3.283250360e+01 3.283250360e+01 1.92 2.966299164e+01 2.966299164e+01 1.94 2.670699671e+01 2.670699671e+01 1.96 2.396402712e+01 2.396402712e+01 1.98 2.142530663e+01 2.142530663e+01 2.00 1.907795756e+01 1.907795756e+01 2.02 1.690953781e+01 1.690953781e+01 2.04 1.490788381e+01 1.490788381e+01 2.06 1.306109965e+01 1.306109965e+01 2.08 1.135765751e+01 1.135765751e+01 2.10 9.786550702e+00 9.786550702e+00 2.12 8.337445490e+00 8.337445490e+00 2.14 7.000797495e+00 7.000797495e+00 2.16 5.767916143e+00 5.767916143e+00 2.18 4.630972615e+00 4.630972615e+00 2.20 3.582954718e+00 3.582954718e+00 2.22 2.617578663e+00 2.617578663e+00 2.24 1.729172542e+00 1.729172542e+00 2.26 9.125482557e-01 9.125482557e-01 2.28 1.628782079e-01 1.628782079e-01 2.30 -5.244089819e-01 -5.244089819e-01 2.32 -1.153702526e+00 -1.153702526e+00 2.34 -1.729246465e+00 -1.729246465e+00 2.36 -2.255139073e+00 -2.255139073e+00 2.38 -2.735301734e+00 -2.735301734e+00 2.40 -3.173431295e+00 -3.173431295e+00 2.42 -3.572953212e+00 -3.572953212e+00 2.44 -3.936990476e+00 -3.936990476e+00 2.46 -4.268355899e+00 -4.268355899e+00 2.48 -4.569566039e+00 -4.569566039e+00 2.50 -4.842868402e+00 -4.842868402e+00 2.52 -5.090272282e+00 -5.090272282e+00 2.54 -5.313577173e+00 -5.313577173e+00 2.56 -5.514397594e+00 -5.514397594e+00 2.58 -5.694160872e+00 -5.694160872e+00 2.60 -5.854005465e+00 -5.854005465e+00 2.62 -5.995258583e+00 -5.995258583e+00 2.64 -6.119187964e+00 -6.119187964e+00 2.66 -6.226947922e+00 -6.226947922e+00 2.68 -6.319598789e+00 -6.319598789e+00 2.70 -6.398119929e+00 -6.398119929e+00 2.72 -6.463417654e+00 -6.463417654e+00 2.74 -6.516329802e+00 -6.516329802e+00 2.76 -6.557529078e+00 -6.557529078e+00 2.78 -6.587255717e+00 -6.587255717e+00 2.80 -6.605838687e+00 -6.605838687e+00 2.82 -6.613681947e+00 -6.613681947e+00 2.84 -6.611192070e+00 -6.611192070e+00 2.86 -6.598778678e+00 -6.598778678e+00 2.88 -6.576856888e+00 -6.576856888e+00 2.90 -6.545849807e+00 -6.545849807e+00 2.92 -6.506189166e+00 -6.506189166e+00 2.94 -6.458312715e+00 -6.458312715e+00 2.96 -6.402631246e+00 -6.402631246e+00 2.98 -6.339720298e+00 -6.339720298e+00 3.00 -6.269980744e+00 -6.269980744e+00 3.02 -6.193428417e+00 -6.193428417e+00 3.04 -6.110120771e+00 -6.110120771e+00 3.06 -6.020144819e+00 -6.020144819e+00 3.08 -5.923607590e+00 -5.923607590e+00 3.10 -5.820630418e+00 -5.820630418e+00 3.12 -5.711355818e+00 -5.711355818e+00 3.14 -5.595985497e+00 -5.595985497e+00 3.16 -5.474744790e+00 -5.474744790e+00 3.18 -5.347876252e+00 -5.347876252e+00 3.20 -5.215657593e+00 -5.215657593e+00 3.22 -5.078419491e+00 -5.078419491e+00 3.24 -4.936561485e+00 -4.936561485e+00 3.26 -4.790564003e+00 -4.790564003e+00 3.28 -4.640994650e+00 -4.640994650e+00 3.30 -4.488507316e+00 -4.488507316e+00 3.32 -4.333833307e+00 -4.333833307e+00 3.34 -4.177764672e+00 -4.177764672e+00 3.36 -4.021130828e+00 -4.021130828e+00 3.38 -3.864770474e+00 -3.864770474e+00 3.40 -3.709501287e+00 -3.709501287e+00 3.42 -3.556090073e+00 -3.556090073e+00 3.44 -3.405225795e+00 -3.405225795e+00 3.46 -3.257497435e+00 -3.257497435e+00 3.48 -3.113378069e+00 -3.113378069e+00 3.50 -2.973215882e+00 -2.973215882e+00 3.52 -2.837232339e+00 -2.837232339e+00 3.54 -2.705527236e+00 -2.705527236e+00 3.56 -2.578089931e+00 -2.578089931e+00 3.58 -2.454815778e+00 -2.454815778e+00 3.60 -2.335526504e+00 -2.335526504e+00 3.62 -2.219993157e+00 -2.219993157e+00 3.64 -2.107960178e+00 -2.107960178e+00 3.66 -1.999169195e+00 -1.999169195e+00 3.68 -1.893381202e+00 -1.893381202e+00 3.70 -1.790395921e+00 -1.790395921e+00 3.72 -1.690067274e+00 -1.690067274e+00 3.74 -1.592314077e+00 -1.592314077e+00 3.76 -1.497125308e+00 -1.497125308e+00 3.78 -1.404559600e+00 -1.404559600e+00 3.80 -1.314739005e+00 -1.314739005e+00 3.82 -1.227837563e+00 -1.227837563e+00 3.84 -1.144065661e+00 -1.144065661e+00 3.86 -1.063651654e+00 -1.063651654e+00 3.88 -9.868224806e-01 -9.868224806e-01 3.90 -9.137851187e-01 -9.137851187e-01 3.92 -8.447105682e-01 -8.447105682e-01 3.94 -7.797216807e-01 -7.797216807e-01 3.96 -7.188856101e-01 -7.188856101e-01 3.98 -6.622110738e-01 -6.622110738e-01 4.00 -6.096500485e-01 -6.096500485e-01 4.02 -5.611030938e-01 -5.611030938e-01 4.04 -5.164272313e-01 -5.164272313e-01 4.06 -4.754452237e-01 -4.754452237e-01 4.08 -4.379551735e-01 -4.379551735e-01 4.10 -4.037395583e-01 -4.037395583e-01 4.12 -3.725730858e-01 -3.725730858e-01 4.14 -3.442290270e-01 -3.442290270e-01 4.16 -3.184839698e-01 -3.184839698e-01 4.18 -2.951211169e-01 -2.951211169e-01 4.20 -2.739324011e-01 -2.739324011e-01 4.22 -2.547197341e-01 -2.547197341e-01 4.24 -2.372956898e-01 -2.372956898e-01 4.26 -2.214838602e-01 -2.214838602e-01 4.28 -2.071190383e-01 -2.071190383e-01 4.30 -1.940473079e-01 -1.940473079e-01 4.32 -1.821260513e-01 -1.821260513e-01 4.34 -1.712238797e-01 -1.712238797e-01 4.36 -1.612204662e-01 -1.612204662e-01 4.38 -1.520062674e-01 -1.520062674e-01 4.40 -1.434821015e-01 -1.434821015e-01 4.42 -1.355586472e-01 -1.355586472e-01 4.44 -1.281558794e-01 -1.281558794e-01 4.46 -1.212024344e-01 -1.212024344e-01 4.48 -1.146352507e-01 -1.146352507e-01 4.50 -1.083986560e-01 -1.083986560e-01 4.52 -1.024445183e-01 -1.024445183e-01 4.54 -9.673141225e-02 -9.673141225e-02 4.56 -9.122424963e-02 -9.122424963e-02 4.58 -8.589409203e-02 -8.589409203e-02 4.60 -8.071800182e-02 -8.071800182e-02 4.62 -7.567891056e-02 -7.567891056e-02 4.64 -7.076547208e-02 -7.076547208e-02 4.66 -6.597185831e-02 -6.597185831e-02 4.68 -6.129745331e-02 -6.129745331e-02 4.70 -5.674640404e-02 -5.674640404e-02 4.72 -5.232699968e-02 -5.232699968e-02 4.74 -4.805086570e-02 -4.805086570e-02 4.76 -4.393198787e-02 -4.393198787e-02 4.78 -3.998561795e-02 -3.998561795e-02 4.80 -3.622711642e-02 -3.622711642e-02 4.82 -3.267082095e-02 -3.267082095e-02 4.84 -2.932903366e-02 -2.932903366e-02 4.86 -2.621118931e-02 -2.621118931e-02 4.88 -2.332327774e-02 -2.332327774e-02 4.90 -2.066755008e-02 -2.066755008e-02 4.92 -1.824250134e-02 -1.824250134e-02 4.94 -1.604278927e-02 -1.604278927e-02 4.96 -1.406025799e-02 -1.406025799e-02 4.98 -1.228446138e-02 -1.228446138e-02 5.00 -1.070290297e-02 -1.070290297e-02 5.02 -9.301687348e-03 -9.301687348e-03 5.04 -8.066126772e-03 -8.066126772e-03 5.06 -6.981271865e-03 -6.981271865e-03 5.08 -6.032349690e-03 -6.032349690e-03 5.10 -5.205104566e-03 -5.205104566e-03 5.12 -4.486045782e-03 -4.486045782e-03 5.14 -3.862612131e-03 -3.862612131e-03 5.16 -3.323266161e-03 -3.323266161e-03 5.18 -2.857531971e-03 -2.857531971e-03 5.20 -2.455989855e-03 -2.455989855e-03 5.22 -2.110239692e-03 -2.110239692e-03 5.24 -1.812843158e-03 -1.812843158e-03 5.26 -1.557252924e-03 -1.557252924e-03 5.28 -1.337735158e-03 -1.337735158e-03 5.30 -1.149290050e-03 -1.149290050e-03 5.32 -9.875737025e-04 -9.875737025e-04 5.34 -8.488236493e-04 -8.488236493e-04 5.36 -7.297894059e-04 -7.297894059e-04 5.38 -6.276688137e-04 -6.276688137e-04 5.40 -5.400504814e-04 -5.400504814e-04 5.42 -4.648622984e-04 -4.648622984e-04 5.44 -4.003257834e-04 -4.003257834e-04 5.46 -3.449158932e-04 -3.449158932e-04 5.48 -2.973258491e-04 -2.973258491e-04 5.50 -2.564365006e-04 -2.564365006e-04 5.52 -2.212897508e-04 -2.212897508e-04 5.54 -1.910655799e-04 -1.910655799e-04 5.56 -1.650622337e-04 -1.650622337e-04 5.58 -1.426791812e-04 -1.426791812e-04 5.60 -1.234024796e-04 -1.234024796e-04 5.62 -1.067922269e-04 -1.067922269e-04 5.64 -9.247181665e-05 -9.247181665e-05 5.66 -8.011874432e-05 -8.011874432e-05 5.68 -6.945674827e-05 -6.945674827e-05 5.70 -6.024909415e-05 -6.024909415e-05 5.72 -5.229283923e-05 -5.229283923e-05 5.74 -4.541393480e-05 -4.541393480e-05 5.76 -3.946304471e-05 -3.946304471e-05 5.78 -3.431197552e-05 -3.431197552e-05 5.80 -2.985062869e-05 -2.985062869e-05 5.82 -2.598439805e-05 -2.598439805e-05 5.84 -2.263194717e-05 -2.263194717e-05 5.86 -1.972331056e-05 -1.972331056e-05 5.88 -1.719827124e-05 -1.719827124e-05 5.90 -1.500497374e-05 -1.500497374e-05 5.92 -1.309873814e-05 -1.309873814e-05 5.94 -1.144104542e-05 -1.144104542e-05 5.96 -9.998669161e-06 -9.998669161e-06 5.98 -8.742931981e-06 -8.742931981e-06 6.00 -7.649068625e-06 -7.649068625e-06