# 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 = FeNi2Pd # 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 1.718864906e+02 1.718864906e+02 1.30 1.576200387e+02 1.576200387e+02 1.32 1.444999993e+02 1.444999993e+02 1.34 1.324297867e+02 1.324297867e+02 1.36 1.213207223e+02 1.213207223e+02 1.38 1.110911798e+02 1.110911798e+02 1.40 1.016661761e+02 1.016661761e+02 1.42 9.297766296e+01 9.297766296e+01 1.44 8.496487687e+01 8.496487687e+01 1.46 7.757399173e+01 7.757399173e+01 1.48 7.075702210e+01 7.075702210e+01 1.50 6.447046713e+01 6.447046713e+01 1.52 5.867414071e+01 5.867414071e+01 1.54 5.333035462e+01 5.333035462e+01 1.56 4.840345040e+01 4.840345040e+01 1.58 4.385967377e+01 4.385967377e+01 1.60 3.966742106e+01 3.966742106e+01 1.62 3.580090349e+01 3.580090349e+01 1.64 3.225056737e+01 3.225056737e+01 1.66 2.899377154e+01 2.899377154e+01 1.68 2.600771062e+01 2.600771062e+01 1.70 2.327131211e+01 2.327131211e+01 1.72 2.076465179e+01 2.076465179e+01 1.74 1.846876888e+01 1.846876888e+01 1.76 1.636583733e+01 1.636583733e+01 1.78 1.443947296e+01 1.443947296e+01 1.80 1.267491612e+01 1.267491612e+01 1.82 1.105897204e+01 1.105897204e+01 1.84 9.579776960e+00 9.579776960e+00 1.86 8.226528648e+00 8.226528648e+00 1.88 6.989275697e+00 6.989275697e+00 1.90 5.858790495e+00 5.858790495e+00 1.92 4.826506457e+00 4.826506457e+00 1.94 3.884488048e+00 3.884488048e+00 1.96 3.025408526e+00 3.025408526e+00 1.98 2.242521718e+00 2.242521718e+00 2.00 1.529624949e+00 1.529624949e+00 2.02 8.810190109e-01 8.810190109e-01 2.04 2.914743631e-01 2.914743631e-01 2.06 -2.437915930e-01 -2.437915930e-01 2.08 -7.291297433e-01 -7.291297433e-01 2.10 -1.168475920e+00 -1.168475920e+00 2.12 -1.565377003e+00 -1.565377003e+00 2.14 -1.923029786e+00 -1.923029786e+00 2.16 -2.244330964e+00 -2.244330964e+00 2.18 -2.531932892e+00 -2.531932892e+00 2.20 -2.788297679e+00 -2.788297679e+00 2.22 -3.015742117e+00 -3.015742117e+00 2.24 -3.216468483e+00 -3.216468483e+00 2.26 -3.392581558e+00 -3.392581558e+00 2.28 -3.546097926e+00 -3.546097926e+00 2.30 -3.678954840e+00 -3.678954840e+00 2.32 -3.793019754e+00 -3.793019754e+00 2.34 -3.890092226e+00 -3.890092226e+00 2.36 -3.971887483e+00 -3.971887483e+00 2.38 -4.040000610e+00 -4.040000610e+00 2.40 -4.095866929e+00 -4.095866929e+00 2.42 -4.140731007e+00 -4.140731007e+00 2.44 -4.175654605e+00 -4.175654605e+00 2.46 -4.201547022e+00 -4.201547022e+00 2.48 -4.219472811e+00 -4.219472811e+00 2.50 -4.230286943e+00 -4.230286943e+00 2.52 -4.234398469e+00 -4.234398469e+00 2.54 -4.232174285e+00 -4.232174285e+00 2.56 -4.223684710e+00 -4.223684710e+00 2.58 -4.208950485e+00 -4.208950485e+00 2.60 -4.188060627e+00 -4.188060627e+00 2.62 -4.161165766e+00 -4.161165766e+00 2.64 -4.128514084e+00 -4.128514084e+00 2.66 -4.090404805e+00 -4.090404805e+00 2.68 -4.047165584e+00 -4.047165584e+00 2.70 -3.999093485e+00 -3.999093485e+00 2.72 -3.946466806e+00 -3.946466806e+00 2.74 -3.889628145e+00 -3.889628145e+00 2.76 -3.828975347e+00 -3.828975347e+00 2.78 -3.764941275e+00 -3.764941275e+00 2.80 -3.697971071e+00 -3.697971071e+00 2.82 -3.628502009e+00 -3.628502009e+00 2.84 -3.556949994e+00 -3.556949994e+00 2.86 -3.483703754e+00 -3.483703754e+00 2.88 -3.409124579e+00 -3.409124579e+00 2.90 -3.333547852e+00 -3.333547852e+00 2.92 -3.257283009e+00 -3.257283009e+00 2.94 -3.180610404e+00 -3.180610404e+00 2.96 -3.103775741e+00 -3.103775741e+00 2.98 -3.026984256e+00 -3.026984256e+00 3.00 -2.950397200e+00 -2.950397200e+00 3.02 -2.874132405e+00 -2.874132405e+00 3.04 -2.798269346e+00 -2.798269346e+00 3.06 -2.722857823e+00 -2.722857823e+00 3.08 -2.647928632e+00 -2.647928632e+00 3.10 -2.573504554e+00 -2.573504554e+00 3.12 -2.499610330e+00 -2.499610330e+00 3.14 -2.426280822e+00 -2.426280822e+00 3.16 -2.353566994e+00 -2.353566994e+00 3.18 -2.281539629e+00 -2.281539629e+00 3.20 -2.210290807e+00 -2.210290807e+00 3.22 -2.139933221e+00 -2.139933221e+00 3.24 -2.070597418e+00 -2.070597418e+00 3.26 -2.002427140e+00 -2.002427140e+00 3.28 -1.935573064e+00 -1.935573064e+00 3.30 -1.870185440e+00 -1.870185440e+00 3.32 -1.806406269e+00 -1.806406269e+00 3.34 -1.744361800e+00 -1.744361800e+00 3.36 -1.684156112e+00 -1.684156112e+00 3.38 -1.625866394e+00 -1.625866394e+00 3.40 -1.569540302e+00 -1.569540302e+00 3.42 -1.515195489e+00 -1.515195489e+00 3.44 -1.462821088e+00 -1.462821088e+00 3.46 -1.412380765e+00 -1.412380765e+00 3.48 -1.363816801e+00 -1.363816801e+00 3.50 -1.317054691e+00 -1.317054691e+00 3.52 -1.272007789e+00 -1.272007789e+00 3.54 -1.228581638e+00 -1.228581638e+00 3.56 -1.186677762e+00 -1.186677762e+00 3.58 -1.146196804e+00 -1.146196804e+00 3.60 -1.107041001e+00 -1.107041001e+00 3.62 -1.069116061e+00 -1.069116061e+00 3.64 -1.032332557e+00 -1.032332557e+00 3.66 -9.966069925e-01 -9.966069925e-01 3.68 -9.618626970e-01 -9.618626970e-01 3.70 -9.280306736e-01 -9.280306736e-01 3.72 -8.950505077e-01 -8.950505077e-01 3.74 -8.628713564e-01 -8.628713564e-01 3.76 -8.314529655e-01 -8.314529655e-01 3.78 -8.007665677e-01 -8.007665677e-01 3.80 -7.707954383e-01 -7.707954383e-01 3.82 -7.415348414e-01 -7.415348414e-01 3.84 -7.129911173e-01 -7.129911173e-01 3.86 -6.851797618e-01 -6.851797618e-01 3.88 -6.581225187e-01 -6.581225187e-01 3.90 -6.318437283e-01 -6.318437283e-01 3.92 -6.063663736e-01 -6.063663736e-01 3.94 -5.817083865e-01 -5.817083865e-01 3.96 -5.578797635e-01 -5.578797635e-01 3.98 -5.348808862e-01 -5.348808862e-01 4.00 -5.127021943e-01 -5.127021943e-01 4.02 -4.913250886e-01 -4.913250886e-01 4.04 -4.707237212e-01 -4.707237212e-01 4.06 -4.508672187e-01 -4.508672187e-01 4.08 -4.317218786e-01 -4.317218786e-01 4.10 -4.132529737e-01 -4.132529737e-01 4.12 -3.954259490e-01 -3.954259490e-01 4.14 -3.782069527e-01 -3.782069527e-01 4.16 -3.615628072e-01 -3.615628072e-01 4.18 -3.454606136e-01 -3.454606136e-01 4.20 -3.298672476e-01 -3.298672476e-01 4.22 -3.147489953e-01 -3.147489953e-01 4.24 -3.000715243e-01 -3.000715243e-01 4.26 -2.858003052e-01 -2.858003052e-01 4.28 -2.719015060e-01 -2.719015060e-01 4.30 -2.583432930e-01 -2.583432930e-01 4.32 -2.450974085e-01 -2.450974085e-01 4.34 -2.321408468e-01 -2.321408468e-01 4.36 -2.194574264e-01 -2.194574264e-01 4.38 -2.070390514e-01 -2.070390514e-01 4.40 -1.948864706e-01 -1.948864706e-01 4.42 -1.830093744e-01 -1.830093744e-01 4.44 -1.714257367e-01 -1.714257367e-01 4.46 -1.601603866e-01 -1.601603866e-01 4.48 -1.492429025e-01 -1.492429025e-01 4.50 -1.387050254e-01 -1.387050254e-01 4.52 -1.285778720e-01 -1.285778720e-01 4.54 -1.188892763e-01 -1.188892763e-01 4.56 -1.096615748e-01 -1.096615748e-01 4.58 -1.009100844e-01 -1.009100844e-01 4.60 -9.264239898e-02 -9.264239898e-02 4.62 -8.485851872e-02 -8.485851872e-02 4.64 -7.755169415e-02 -7.755169415e-02 4.66 -7.070977628e-02 -7.070977628e-02 4.68 -6.431680950e-02 -6.431680950e-02 4.70 -5.835464070e-02 -5.835464070e-02 4.72 -5.280433885e-02 -5.280433885e-02 4.74 -4.764683017e-02 -4.764683017e-02 4.76 -4.286456037e-02 -4.286456037e-02 4.78 -3.844165598e-02 -3.844165598e-02 4.80 -3.436325393e-02 -3.436325393e-02 4.82 -3.061530948e-02 -3.061530948e-02 4.84 -2.718421987e-02 -2.718421987e-02 4.86 -2.405639223e-02 -2.405639223e-02 4.88 -2.121785069e-02 -2.121785069e-02 4.90 -1.865395190e-02 -1.865395190e-02 4.92 -1.634924360e-02 -1.634924360e-02 4.94 -1.428718136e-02 -1.428718136e-02 4.96 -1.245083960e-02 -1.245083960e-02 4.98 -1.082310057e-02 -1.082310057e-02 5.00 -9.386597195e-03 -9.386597195e-03 5.02 -8.124045061e-03 -8.124045061e-03 5.04 -7.018553606e-03 -7.018553606e-03 5.06 -6.053894289e-03 -6.053894289e-03 5.08 -5.214713102e-03 -5.214713102e-03 5.10 -4.486683364e-03 -4.486683364e-03 5.12 -3.856601099e-03 -3.856601099e-03 5.14 -3.312429394e-03 -3.312429394e-03 5.16 -2.843300371e-03 -2.843300371e-03 5.18 -2.439484065e-03 -2.439484065e-03 5.20 -2.092333144e-03 -2.092333144e-03 5.22 -1.794211440e-03 -1.794211440e-03 5.24 -1.538412933e-03 -1.538412933e-03 5.26 -1.319076495e-03 -1.319076495e-03 5.28 -1.131100396e-03 -1.131100396e-03 5.30 -9.700594435e-04 -9.700594435e-04 5.32 -8.321266867e-04 -8.321266867e-04 5.34 -7.140008694e-04 -7.140008694e-04 5.36 -6.128402366e-04 -6.128402366e-04 5.38 -5.262028839e-04 -5.262028839e-04 5.40 -4.519935431e-04 -4.519935431e-04 5.42 -3.884165017e-04 -3.884165017e-04 5.44 -3.339342320e-04 -3.339342320e-04 5.46 -2.872312457e-04 -2.872312457e-04 5.48 -2.471826598e-04 -2.471826598e-04 5.50 -2.128269690e-04 -2.128269690e-04 5.52 -1.833425384e-04 -1.833425384e-04 5.54 -1.580273624e-04 -1.580273624e-04 5.56 -1.362816759e-04 -1.362816759e-04 5.58 -1.175930427e-04 -1.175930427e-04 5.60 -1.015235886e-04 -1.015235886e-04 5.62 -8.769908272e-05 -8.769908272e-05 5.64 -7.579960973e-05 -7.579960973e-05 5.66 -6.555160635e-05 -6.555160635e-05 5.68 -5.672106691e-05 -5.672106691e-05 5.70 -4.910774871e-05 -4.910774871e-05 5.72 -4.254023122e-05 -4.254023122e-05 5.74 -3.687170425e-05 -3.687170425e-05 5.76 -3.197637754e-05 -3.197637754e-05 5.78 -2.774642004e-05 -2.774642004e-05 5.80 -2.408935051e-05 -2.408935051e-05 5.82 -2.092581251e-05 -2.092581251e-05 5.84 -1.818767659e-05 -1.818767659e-05 5.86 -1.581642125e-05 -1.581642125e-05 5.88 -1.376175124e-05 -1.376175124e-05 5.90 -1.198041791e-05 -1.198041791e-05 5.92 -1.043521174e-05 -1.043521174e-05 5.94 -9.094101604e-06 -9.094101604e-06 5.96 -7.929498932e-06 -7.929498932e-06 5.98 -6.917628484e-06 -6.917628484e-06 6.00 -6.037989983e-06 -6.037989983e-06