# 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 = PdPt2W # 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 4.583112448e+02 4.583112448e+02 1.30 4.275554567e+02 4.275554567e+02 1.32 3.988218221e+02 3.988218221e+02 1.34 3.719678920e+02 3.719678920e+02 1.36 3.468753817e+02 3.468753817e+02 1.38 3.234432168e+02 3.234432168e+02 1.40 3.015804721e+02 3.015804721e+02 1.42 2.811996024e+02 2.811996024e+02 1.44 2.622088465e+02 2.622088465e+02 1.46 2.445080655e+02 2.445080655e+02 1.48 2.279922851e+02 2.279922851e+02 1.50 2.125592858e+02 2.125592858e+02 1.52 1.981147127e+02 1.981147127e+02 1.54 1.845731363e+02 1.845731363e+02 1.56 1.718575515e+02 1.718575515e+02 1.58 1.598990654e+02 1.598990654e+02 1.60 1.486364779e+02 1.486364779e+02 1.62 1.380152042e+02 1.380152042e+02 1.64 1.279859804e+02 1.279859804e+02 1.66 1.185043221e+02 1.185043221e+02 1.68 1.095311351e+02 1.095311351e+02 1.70 1.010338082e+02 1.010338082e+02 1.72 9.298654661e+01 9.298654661e+01 1.74 8.536913454e+01 8.536913454e+01 1.76 7.816454318e+01 7.816454318e+01 1.78 7.135676560e+01 7.135676560e+01 1.80 6.493030474e+01 6.493030474e+01 1.82 5.886986958e+01 5.886986958e+01 1.84 5.316208815e+01 5.316208815e+01 1.86 4.783572042e+01 4.783572042e+01 1.88 4.297308919e+01 4.297308919e+01 1.90 3.854748717e+01 3.854748717e+01 1.92 3.452350152e+01 3.452350152e+01 1.94 3.086556639e+01 3.086556639e+01 1.96 2.753854234e+01 2.753854234e+01 1.98 2.450888866e+01 2.450888866e+01 2.00 2.174581879e+01 2.174581879e+01 2.02 1.922197680e+01 1.922197680e+01 2.04 1.691354029e+01 1.691354029e+01 2.06 1.479991283e+01 1.479991283e+01 2.08 1.286322488e+01 1.286322488e+01 2.10 1.108780499e+01 1.108780499e+01 2.12 9.459714957e+00 9.459714957e+00 2.14 7.966399648e+00 7.966399648e+00 2.16 6.596471180e+00 6.596471180e+00 2.18 5.339609791e+00 5.339609791e+00 2.20 4.186531202e+00 4.186531202e+00 2.22 3.128962614e+00 3.128962614e+00 2.24 2.159589724e+00 2.159589724e+00 2.26 1.271966664e+00 1.271966664e+00 2.28 4.604005657e-01 4.604005657e-01 2.30 -2.801723708e-01 -2.801723708e-01 2.32 -9.543061122e-01 -9.543061122e-01 2.34 -1.566152167e+00 -1.566152167e+00 2.36 -2.119552583e+00 -2.119552583e+00 2.38 -2.618118887e+00 -2.618118887e+00 2.40 -3.065298910e+00 -3.065298910e+00 2.42 -3.464433693e+00 -3.464433693e+00 2.44 -3.818781244e+00 -3.818781244e+00 2.46 -4.131540910e+00 -4.131540910e+00 2.48 -4.406045818e+00 -4.406045818e+00 2.50 -4.645638253e+00 -4.645638253e+00 2.52 -4.853633566e+00 -4.853633566e+00 2.54 -5.033265261e+00 -5.033265261e+00 2.56 -5.187602089e+00 -5.187602089e+00 2.58 -5.319453589e+00 -5.319453589e+00 2.60 -5.431278609e+00 -5.431278609e+00 2.62 -5.524996035e+00 -5.524996035e+00 2.64 -5.602875264e+00 -5.602875264e+00 2.66 -5.667932993e+00 -5.667932993e+00 2.68 -5.720631221e+00 -5.720631221e+00 2.70 -5.761259946e+00 -5.761259946e+00 2.72 -5.790096756e+00 -5.790096756e+00 2.74 -5.807423810e+00 -5.807423810e+00 2.76 -5.813537345e+00 -5.813537345e+00 2.78 -5.808751621e+00 -5.808751621e+00 2.80 -5.793400591e+00 -5.793400591e+00 2.82 -5.767840536e+00 -5.767840536e+00 2.84 -5.732456253e+00 -5.732456253e+00 2.86 -5.687883498e+00 -5.687883498e+00 2.88 -5.634827488e+00 -5.634827488e+00 2.90 -5.573620712e+00 -5.573620712e+00 2.92 -5.504703746e+00 -5.504703746e+00 2.94 -5.428640919e+00 -5.428640919e+00 2.96 -5.346116074e+00 -5.346116074e+00 2.98 -5.257911401e+00 -5.257911401e+00 3.00 -5.164888143e+00 -5.164888143e+00 3.02 -5.067980663e+00 -5.067980663e+00 3.04 -4.968070981e+00 -4.968070981e+00 3.06 -4.865924687e+00 -4.865924687e+00 3.08 -4.762163671e+00 -4.762163671e+00 3.10 -4.657257859e+00 -4.657257859e+00 3.12 -4.551533697e+00 -4.551533697e+00 3.14 -4.445194337e+00 -4.445194337e+00 3.16 -4.338345676e+00 -4.338345676e+00 3.18 -4.231023621e+00 -4.231023621e+00 3.20 -4.123219475e+00 -4.123219475e+00 3.22 -4.014902061e+00 -4.014902061e+00 3.24 -3.906036320e+00 -3.906036320e+00 3.26 -3.796598719e+00 -3.796598719e+00 3.28 -3.686589976e+00 -3.686589976e+00 3.30 -3.576045486e+00 -3.576045486e+00 3.32 -3.465043575e+00 -3.465043575e+00 3.34 -3.353711459e+00 -3.353711459e+00 3.36 -3.242228561e+00 -3.242228561e+00 3.38 -3.130826780e+00 -3.130826780e+00 3.40 -3.019805452e+00 -3.019805452e+00 3.42 -2.909755168e+00 -2.909755168e+00 3.44 -2.801429217e+00 -2.801429217e+00 3.46 -2.695514313e+00 -2.695514313e+00 3.48 -2.592608635e+00 -2.592608635e+00 3.50 -2.493207564e+00 -2.493207564e+00 3.52 -2.397694054e+00 -2.397694054e+00 3.54 -2.306334963e+00 -2.306334963e+00 3.56 -2.219283668e+00 -2.219283668e+00 3.58 -2.136588424e+00 -2.136588424e+00 3.60 -2.058205238e+00 -2.058205238e+00 3.62 -1.984013611e+00 -1.984013611e+00 3.64 -1.913833500e+00 -1.913833500e+00 3.66 -1.847441987e+00 -1.847441987e+00 3.68 -1.784588549e+00 -1.784588549e+00 3.70 -1.725008231e+00 -1.725008231e+00 3.72 -1.668432395e+00 -1.668432395e+00 3.74 -1.614597053e+00 -1.614597053e+00 3.76 -1.563248972e+00 -1.563248972e+00 3.78 -1.514149871e+00 -1.514149871e+00 3.80 -1.467079050e+00 -1.467079050e+00 3.82 -1.421834792e+00 -1.421834792e+00 3.84 -1.378234852e+00 -1.378234852e+00 3.86 -1.336116277e+00 -1.336116277e+00 3.88 -1.295334799e+00 -1.295334799e+00 3.90 -1.255763971e+00 -1.255763971e+00 3.92 -1.217294222e+00 -1.217294222e+00 3.94 -1.179831954e+00 -1.179831954e+00 3.96 -1.143298758e+00 -1.143298758e+00 3.98 -1.107630828e+00 -1.107630828e+00 4.00 -1.072778551e+00 -1.072778551e+00 4.02 -1.038706213e+00 -1.038706213e+00 4.04 -1.005391720e+00 -1.005391720e+00 4.06 -9.728261548e-01 -9.728261548e-01 4.08 -9.410129872e-01 -9.410129872e-01 4.10 -9.099667516e-01 -9.099667516e-01 4.12 -8.797110944e-01 -8.797110944e-01 4.14 -8.502760470e-01 -8.502760470e-01 4.16 -8.216947533e-01 -8.216947533e-01 4.18 -7.939997490e-01 -7.939997490e-01 4.20 -7.672191649e-01 -7.672191649e-01 4.22 -7.413732281e-01 -7.413732281e-01 4.24 -7.164714308e-01 -7.164714308e-01 4.26 -6.925106505e-01 -6.925106505e-01 4.28 -6.694743617e-01 -6.694743617e-01 4.30 -6.473329205e-01 -6.473329205e-01 4.32 -6.260447566e-01 -6.260447566e-01 4.34 -6.055582112e-01 -6.055582112e-01 4.36 -5.858137235e-01 -5.858137235e-01 4.38 -5.667460893e-01 -5.667460893e-01 4.40 -5.482865757e-01 -5.482865757e-01 4.42 -5.303647543e-01 -5.303647543e-01 4.44 -5.129099961e-01 -5.129099961e-01 4.46 -4.958526319e-01 -4.958526319e-01 4.48 -4.791248320e-01 -4.791248320e-01 4.50 -4.626612838e-01 -4.626612838e-01 4.52 -4.463997550e-01 -4.463997550e-01 4.54 -4.302816338e-01 -4.302816338e-01 4.56 -4.142525231e-01 -4.142525231e-01 4.58 -3.982629539e-01 -3.982629539e-01 4.60 -3.822692632e-01 -3.822692632e-01 4.62 -3.662346573e-01 -3.662346573e-01 4.64 -3.501304540e-01 -3.501304540e-01 4.66 -3.339374653e-01 -3.339374653e-01 4.68 -3.176474461e-01 -3.176474461e-01 4.70 -3.012644956e-01 -3.012644956e-01 4.72 -2.848062668e-01 -2.848062668e-01 4.74 -2.683048079e-01 -2.683048079e-01 4.76 -2.518068529e-01 -2.518068529e-01 4.78 -2.353733865e-01 -2.353733865e-01 4.80 -2.190783517e-01 -2.190783517e-01 4.82 -2.030064414e-01 -2.030064414e-01 4.84 -1.872500062e-01 -1.872500062e-01 4.86 -1.719052502e-01 -1.719052502e-01 4.88 -1.570679215e-01 -1.570679215e-01 4.90 -1.428288810e-01 -1.428288810e-01 4.92 -1.292699160e-01 -1.292699160e-01 4.94 -1.164607516e-01 -1.164607516e-01 4.96 -1.044558269e-01 -1.044558269e-01 4.98 -9.329111318e-02 -9.329111318e-02 5.00 -8.298548142e-02 -8.298548142e-02 5.02 -7.354121608e-02 -7.354121608e-02 5.04 -6.494537723e-02 -6.494537723e-02 5.06 -5.717183114e-02 -5.717183114e-02 5.08 -5.018368714e-02 -5.018368714e-02 5.10 -4.393589235e-02 -4.393589235e-02 5.12 -3.837777404e-02 -3.837777404e-02 5.14 -3.345536508e-02 -3.345536508e-02 5.16 -2.911343350e-02 -2.911343350e-02 5.18 -2.529714760e-02 -2.529714760e-02 5.20 -2.195337220e-02 -2.195337220e-02 5.22 -1.903160432e-02 -1.903160432e-02 5.24 -1.648461208e-02 -1.648461208e-02 5.26 -1.426873028e-02 -1.426873028e-02 5.28 -1.234393054e-02 -1.234393054e-02 5.30 -1.067452125e-02 -1.067452125e-02 5.32 -9.228457885e-03 -9.228457885e-03 5.34 -7.977138568e-03 -7.977138568e-03 5.36 -6.895205901e-03 -6.895205901e-03 5.38 -5.960303831e-03 -5.960303831e-03 5.40 -5.152813146e-03 -5.152813146e-03 5.42 -4.455582149e-03 -4.455582149e-03 5.44 -3.853663751e-03 -3.853663751e-03 5.46 -3.334066172e-03 -3.334066172e-03 5.48 -2.885521488e-03 -2.885521488e-03 5.50 -2.498274139e-03 -2.498274139e-03 5.52 -2.163890042e-03 -2.163890042e-03 5.54 -1.875085971e-03 -1.875085971e-03 5.56 -1.625578227e-03 -1.625578227e-03 5.58 -1.409949265e-03 -1.409949265e-03 5.60 -1.223530745e-03 -1.223530745e-03 5.62 -1.062301404e-03 -1.062301404e-03 5.64 -9.227981873e-04 -9.227981873e-04 5.66 -8.020391331e-04 -8.020391331e-04 5.68 -6.974566003e-04 -6.974566003e-04 5.70 -6.068395718e-04 -6.068395718e-04 5.72 -5.282838704e-04 -5.282838704e-04 5.74 -4.601492561e-04 -4.601492561e-04 5.76 -4.010224892e-04 -4.010224892e-04 5.78 -3.496855531e-04 -3.496855531e-04 5.80 -3.050883340e-04 -3.050883340e-04 5.82 -2.663251391e-04 -2.663251391e-04 5.84 -2.326145219e-04 -2.326145219e-04 5.86 -2.032819508e-04 -2.032819508e-04 5.88 -1.777449207e-04 -1.777449207e-04 5.90 -1.555001638e-04 -1.555001638e-04 5.92 -1.361126625e-04 -1.361126625e-04 5.94 -1.192062078e-04 -1.192062078e-04 5.96 -1.044552854e-04 -1.044552854e-04 5.98 -9.157810028e-05 -9.157810028e-05 6.00 -8.033057781e-05 -8.033057781e-05