# 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 = Ni2PdTi # 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 1.920288498e+02 1.920288498e+02 1.30 1.771384828e+02 1.771384828e+02 1.32 1.633817878e+02 1.633817878e+02 1.34 1.506660451e+02 1.506660451e+02 1.36 1.389073952e+02 1.389073952e+02 1.38 1.280292950e+02 1.280292950e+02 1.40 1.179614120e+02 1.179614120e+02 1.42 1.086393344e+02 1.086393344e+02 1.44 1.000046712e+02 1.000046712e+02 1.46 9.200492146e+01 9.200492146e+01 1.48 8.459281121e+01 8.459281121e+01 1.50 7.772527770e+01 7.772527770e+01 1.52 7.136245166e+01 7.136245166e+01 1.54 6.546682733e+01 6.546682733e+01 1.56 6.000271671e+01 6.000271671e+01 1.58 5.493611141e+01 5.493611141e+01 1.60 5.023500414e+01 5.023500414e+01 1.62 4.587002204e+01 4.587002204e+01 1.64 4.181497534e+01 4.181497534e+01 1.66 3.804689526e+01 3.804689526e+01 1.68 3.454553457e+01 3.454553457e+01 1.70 3.129563319e+01 3.129563319e+01 1.72 2.829384645e+01 2.829384645e+01 1.74 2.552350150e+01 2.552350150e+01 1.76 2.296689654e+01 2.296689654e+01 1.78 2.060769205e+01 2.060769205e+01 1.80 1.843106223e+01 1.843106223e+01 1.82 1.642361187e+01 1.642361187e+01 1.84 1.457314053e+01 1.457314053e+01 1.86 1.286837865e+01 1.286837865e+01 1.88 1.129877218e+01 1.129877218e+01 1.90 9.854346531e+00 9.854346531e+00 1.92 8.525653800e+00 8.525653800e+00 1.94 7.303795419e+00 7.303795419e+00 1.96 6.180491843e+00 6.180491843e+00 1.98 5.148151270e+00 5.148151270e+00 2.00 4.199884837e+00 4.199884837e+00 2.02 3.329449262e+00 3.329449262e+00 2.04 2.531146017e+00 2.531146017e+00 2.06 1.799726895e+00 1.799726895e+00 2.08 1.130337813e+00 1.130337813e+00 2.10 5.184985077e-01 5.184985077e-01 2.12 -3.990531884e-02 -3.990531884e-02 2.14 -5.486402252e-01 -5.486402252e-01 2.16 -1.011160831e+00 -1.011160831e+00 2.18 -1.430658672e+00 -1.430658672e+00 2.20 -1.810114903e+00 -1.810114903e+00 2.22 -2.152348806e+00 -2.152348806e+00 2.24 -2.460055047e+00 -2.460055047e+00 2.26 -2.735826109e+00 -2.735826109e+00 2.28 -2.982161010e+00 -2.982161010e+00 2.30 -3.201464924e+00 -3.201464924e+00 2.32 -3.396044015e+00 -3.396044015e+00 2.34 -3.568093462e+00 -3.568093462e+00 2.36 -3.719676700e+00 -3.719676700e+00 2.38 -3.852697320e+00 -3.852697320e+00 2.40 -3.968874230e+00 -3.968874230e+00 2.42 -4.069732535e+00 -4.069732535e+00 2.44 -4.156615735e+00 -4.156615735e+00 2.46 -4.230714561e+00 -4.230714561e+00 2.48 -4.293141253e+00 -4.293141253e+00 2.50 -4.344878867e+00 -4.344878867e+00 2.52 -4.386754719e+00 -4.386754719e+00 2.54 -4.419536862e+00 -4.419536862e+00 2.56 -4.443925012e+00 -4.443925012e+00 2.58 -4.460544616e+00 -4.460544616e+00 2.60 -4.469956789e+00 -4.469956789e+00 2.62 -4.472708067e+00 -4.472708067e+00 2.64 -4.469522664e+00 -4.469522664e+00 2.66 -4.460637227e+00 -4.460637227e+00 2.68 -4.446237211e+00 -4.446237211e+00 2.70 -4.426559311e+00 -4.426559311e+00 2.72 -4.401715941e+00 -4.401715941e+00 2.74 -4.371780819e+00 -4.371780819e+00 2.76 -4.336917822e+00 -4.336917822e+00 2.78 -4.297358735e+00 -4.297358735e+00 2.80 -4.253408064e+00 -4.253408064e+00 2.82 -4.205412577e+00 -4.205412577e+00 2.84 -4.153716405e+00 -4.153716405e+00 2.86 -4.098656822e+00 -4.098656822e+00 2.88 -4.040566303e+00 -4.040566303e+00 2.90 -3.979775967e+00 -3.979775967e+00 2.92 -3.916617067e+00 -3.916617067e+00 2.94 -3.851419027e+00 -3.851419027e+00 2.96 -3.784504605e+00 -3.784504605e+00 2.98 -3.716184095e+00 -3.716184095e+00 3.00 -3.646750419e+00 -3.646750419e+00 3.02 -3.576475826e+00 -3.576475826e+00 3.04 -3.505609704e+00 -3.505609704e+00 3.06 -3.434376915e+00 -3.434376915e+00 3.08 -3.362975667e+00 -3.362975667e+00 3.10 -3.291576457e+00 -3.291576457e+00 3.12 -3.220322201e+00 -3.220322201e+00 3.14 -3.149330650e+00 -3.149330650e+00 3.16 -3.078698112e+00 -3.078698112e+00 3.18 -3.008504420e+00 -3.008504420e+00 3.20 -2.938817468e+00 -2.938817468e+00 3.22 -2.869696876e+00 -2.869696876e+00 3.24 -2.801196476e+00 -2.801196476e+00 3.26 -2.733365721e+00 -2.733365721e+00 3.28 -2.666250285e+00 -2.666250285e+00 3.30 -2.599892151e+00 -2.599892151e+00 3.32 -2.534329428e+00 -2.534329428e+00 3.34 -2.469596076e+00 -2.469596076e+00 3.36 -2.405721662e+00 -2.405721662e+00 3.38 -2.342731257e+00 -2.342731257e+00 3.40 -2.280645552e+00 -2.280645552e+00 3.42 -2.219481375e+00 -2.219481375e+00 3.44 -2.159252414e+00 -2.159252414e+00 3.46 -2.099970431e+00 -2.099970431e+00 3.48 -2.041646572e+00 -2.041646572e+00 3.50 -1.984292613e+00 -1.984292613e+00 3.52 -1.927921750e+00 -1.927921750e+00 3.54 -1.872548629e+00 -1.872548629e+00 3.56 -1.818188406e+00 -1.818188406e+00 3.58 -1.764854938e+00 -1.764854938e+00 3.60 -1.712558487e+00 -1.712558487e+00 3.62 -1.661303545e+00 -1.661303545e+00 3.64 -1.611087363e+00 -1.611087363e+00 3.66 -1.561899625e+00 -1.561899625e+00 3.68 -1.513723349e+00 -1.513723349e+00 3.70 -1.466536841e+00 -1.466536841e+00 3.72 -1.420316355e+00 -1.420316355e+00 3.74 -1.375039030e+00 -1.375039030e+00 3.76 -1.330685752e+00 -1.330685752e+00 3.78 -1.287243611e+00 -1.287243611e+00 3.80 -1.244707705e+00 -1.244707705e+00 3.82 -1.203082049e+00 -1.203082049e+00 3.84 -1.162379429e+00 -1.162379429e+00 3.86 -1.122620102e+00 -1.122620102e+00 3.88 -1.083829434e+00 -1.083829434e+00 3.90 -1.046034704e+00 -1.046034704e+00 3.92 -1.009261509e+00 -1.009261509e+00 3.94 -9.735304206e-01 -9.735304206e-01 3.96 -9.388541131e-01 -9.388541131e-01 3.98 -9.052357866e-01 -9.052357866e-01 4.00 -8.726687139e-01 -8.726687139e-01 4.02 -8.411369595e-01 -8.411369595e-01 4.04 -8.106169471e-01 -8.106169471e-01 4.06 -7.810794668e-01 -7.810794668e-01 4.08 -7.524916956e-01 -7.524916956e-01 4.10 -7.248188293e-01 -7.248188293e-01 4.12 -6.980255072e-01 -6.980255072e-01 4.14 -6.720759663e-01 -6.720759663e-01 4.16 -6.469344000e-01 -6.469344000e-01 4.18 -6.225646203e-01 -6.225646203e-01 4.20 -5.989297048e-01 -5.989297048e-01 4.22 -5.759917766e-01 -5.759917766e-01 4.24 -5.537120965e-01 -5.537120965e-01 4.26 -5.320515706e-01 -5.320515706e-01 4.28 -5.109716904e-01 -5.109716904e-01 4.30 -4.904358445e-01 -4.904358445e-01 4.32 -4.704108763e-01 -4.704108763e-01 4.34 -4.508687216e-01 -4.508687216e-01 4.36 -4.317879352e-01 -4.317879352e-01 4.38 -4.131549110e-01 -4.131549110e-01 4.40 -3.949646143e-01 -3.949646143e-01 4.42 -3.772206766e-01 -3.772206766e-01 4.44 -3.599347632e-01 -3.599347632e-01 4.46 -3.431252029e-01 -3.431252029e-01 4.48 -3.268149694e-01 -3.268149694e-01 4.50 -3.110292021e-01 -3.110292021e-01 4.52 -2.957925371e-01 -2.957925371e-01 4.54 -2.811265629e-01 -2.811265629e-01 4.56 -2.670477009e-01 -2.670477009e-01 4.58 -2.535657477e-01 -2.535657477e-01 4.60 -2.406832060e-01 -2.406832060e-01 4.62 -2.283954081e-01 -2.283954081e-01 4.64 -2.166913197e-01 -2.166913197e-01 4.66 -2.055548271e-01 -2.055548271e-01 4.68 -1.949662716e-01 -1.949662716e-01 4.70 -1.849040031e-01 -1.849040031e-01 4.72 -1.753457546e-01 -1.753457546e-01 4.74 -1.662694777e-01 -1.662694777e-01 4.76 -1.576544901e-01 -1.576544901e-01 4.78 -1.494817966e-01 -1.494817966e-01 4.80 -1.417336906e-01 -1.417336906e-01 4.82 -1.343937631e-01 -1.343937631e-01 4.84 -1.274463141e-01 -1.274463141e-01 4.86 -1.208761957e-01 -1.208761957e-01 4.88 -1.146684568e-01 -1.146684568e-01 4.90 -1.088081437e-01 -1.088081437e-01 4.92 -1.032802219e-01 -1.032802219e-01 4.94 -9.806960775e-02 -9.806960775e-02 4.96 -9.316127822e-02 -9.316127822e-02 4.98 -8.854041846e-02 -8.854041846e-02 5.00 -8.419255529e-02 -8.419255529e-02 5.02 -8.010364937e-02 -8.010364937e-02 5.04 -7.626012838e-02 -7.626012838e-02 5.06 -7.264885959e-02 -7.264885959e-02 5.08 -6.925707379e-02 -6.925707379e-02 5.10 -6.607219692e-02 -6.607219692e-02 5.12 -6.308192052e-02 -6.308192052e-02 5.14 -6.027408359e-02 -6.027408359e-02 5.16 -5.763658987e-02 -5.763658987e-02 5.18 -5.515742616e-02 -5.515742616e-02 5.20 -5.282471849e-02 -5.282471849e-02 5.22 -5.062681471e-02 -5.062681471e-02 5.24 -4.855237924e-02 -4.855237924e-02 5.26 -4.659048661e-02 -4.659048661e-02 5.28 -4.473070307e-02 -4.473070307e-02 5.30 -4.296314926e-02 -4.296314926e-02 5.32 -4.127854128e-02 -4.127854128e-02 5.34 -3.966821024e-02 -3.966821024e-02 5.36 -3.812410322e-02 -3.812410322e-02 5.38 -3.663876983e-02 -3.663876983e-02 5.40 -3.520533912e-02 -3.520533912e-02 5.42 -3.381749182e-02 -3.381749182e-02 5.44 -3.246943239e-02 -3.246943239e-02 5.46 -3.115586472e-02 -3.115586472e-02 5.48 -2.987197489e-02 -2.987197489e-02 5.50 -2.861342322e-02 -2.861342322e-02 5.52 -2.737634738e-02 -2.737634738e-02 5.54 -2.615737751e-02 -2.615737751e-02 5.56 -2.495366248e-02 -2.495366248e-02 5.58 -2.376290676e-02 -2.376290676e-02 5.60 -2.258341519e-02 -2.258341519e-02 5.62 -2.141414144e-02 -2.141414144e-02 5.64 -2.025473511e-02 -2.025473511e-02 5.66 -1.910558087e-02 -1.910558087e-02 5.68 -1.796782214e-02 -1.796782214e-02 5.70 -1.684336149e-02 -1.684336149e-02 5.72 -1.573483041e-02 -1.573483041e-02 5.74 -1.464552288e-02 -1.464552288e-02 5.76 -1.357928798e-02 -1.357928798e-02 5.78 -1.254025483e-02 -1.254025483e-02 5.80 -1.153288889e-02 -1.153288889e-02 5.82 -1.056179101e-02 -1.056179101e-02 5.84 -9.631377778e-03 -9.631377778e-03 5.86 -8.745675288e-03 -8.745675288e-03 5.88 -7.908135020e-03 -7.908135020e-03 5.90 -7.121485992e-03 -7.121485992e-03 5.92 -6.387633393e-03 -6.387633393e-03 5.94 -5.707608882e-03 -5.707608882e-03 5.96 -5.081572280e-03 -5.081572280e-03 5.98 -4.508859491e-03 -4.508859491e-03 6.00 -3.988067776e-03 -3.988067776e-03