# 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 = Ag2PtTi # 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 3.097853697e+02 3.097853697e+02 1.30 2.879182320e+02 2.879182320e+02 1.32 2.675967086e+02 2.675967086e+02 1.34 2.487030684e+02 2.487030684e+02 1.36 2.311328835e+02 2.311328835e+02 1.38 2.147883177e+02 2.147883177e+02 1.40 1.995745240e+02 1.995745240e+02 1.42 1.854004936e+02 1.854004936e+02 1.44 1.721820834e+02 1.721820834e+02 1.46 1.598449311e+02 1.598449311e+02 1.48 1.483255278e+02 1.483255278e+02 1.50 1.375694911e+02 1.375694911e+02 1.52 1.275278816e+02 1.275278816e+02 1.54 1.181536848e+02 1.181536848e+02 1.56 1.094000777e+02 1.094000777e+02 1.58 1.012206498e+02 1.012206498e+02 1.60 9.357067652e+01 9.357067652e+01 1.62 8.640850250e+01 8.640850250e+01 1.64 7.969663802e+01 7.969663802e+01 1.66 7.340248193e+01 7.340248193e+01 1.68 6.749848528e+01 6.749848528e+01 1.70 6.196152829e+01 6.196152829e+01 1.72 5.677160104e+01 5.677160104e+01 1.74 5.192052375e+01 5.192052375e+01 1.76 4.744037948e+01 4.744037948e+01 1.78 4.331159952e+01 4.331159952e+01 1.80 3.950533278e+01 3.950533278e+01 1.82 3.599445797e+01 3.599445797e+01 1.84 3.275419236e+01 3.275419236e+01 1.86 2.976219766e+01 2.976219766e+01 1.88 2.699835860e+01 2.699835860e+01 1.90 2.444447586e+01 2.444447586e+01 1.92 2.208403075e+01 2.208403075e+01 1.94 1.990205517e+01 1.990205517e+01 1.96 1.788505455e+01 1.788505455e+01 1.98 1.602091151e+01 1.602091151e+01 2.00 1.429871858e+01 1.429871858e+01 2.02 1.270854475e+01 1.270854475e+01 2.04 1.124119805e+01 1.124119805e+01 2.06 9.888054152e+00 9.888054152e+00 2.08 8.640975952e+00 8.640975952e+00 2.10 7.492296278e+00 7.492296278e+00 2.12 6.434820557e+00 6.434820557e+00 2.14 5.461824005e+00 5.461824005e+00 2.16 4.567044468e+00 4.567044468e+00 2.18 3.744678279e+00 3.744678279e+00 2.20 2.989377710e+00 2.989377710e+00 2.22 2.296239612e+00 2.296239612e+00 2.24 1.660777886e+00 1.660777886e+00 2.26 1.078881797e+00 1.078881797e+00 2.28 5.467705189e-01 5.467705189e-01 2.30 6.095479600e-02 6.095479600e-02 2.32 -3.817908344e-01 -3.817908344e-01 2.34 -7.844491973e-01 -7.844491973e-01 2.36 -1.149783572e+00 -1.149783572e+00 2.38 -1.480366615e+00 -1.480366615e+00 2.40 -1.778613727e+00 -1.778613727e+00 2.42 -2.046814992e+00 -2.046814992e+00 2.44 -2.287160087e+00 -2.287160087e+00 2.46 -2.501770086e+00 -2.501770086e+00 2.48 -2.693726513e+00 -2.693726513e+00 2.50 -2.865324330e+00 -2.865324330e+00 2.52 -3.018078147e+00 -3.018078147e+00 2.54 -3.153489048e+00 -3.153489048e+00 2.56 -3.273016562e+00 -3.273016562e+00 2.58 -3.378047829e+00 -3.378047829e+00 2.60 -3.469913401e+00 -3.469913401e+00 2.62 -3.549738133e+00 -3.549738133e+00 2.64 -3.618485374e+00 -3.618485374e+00 2.66 -3.676996590e+00 -3.676996590e+00 2.68 -3.725998054e+00 -3.725998054e+00 2.70 -3.766113073e+00 -3.766113073e+00 2.72 -3.797877728e+00 -3.797877728e+00 2.74 -3.821758005e+00 -3.821758005e+00 2.76 -3.838142004e+00 -3.838142004e+00 2.78 -3.847310983e+00 -3.847310983e+00 2.80 -3.849529767e+00 -3.849529767e+00 2.82 -3.845070701e+00 -3.845070701e+00 2.84 -3.834220580e+00 -3.834220580e+00 2.86 -3.817288810e+00 -3.817288810e+00 2.88 -3.794616851e+00 -3.794616851e+00 2.90 -3.766587758e+00 -3.766587758e+00 2.92 -3.733633731e+00 -3.733633731e+00 2.94 -3.696239101e+00 -3.696239101e+00 2.96 -3.654936436e+00 -3.654936436e+00 2.98 -3.610294374e+00 -3.610294374e+00 3.00 -3.562914586e+00 -3.562914586e+00 3.02 -3.513533861e+00 -3.513533861e+00 3.04 -3.462597692e+00 -3.462597692e+00 3.06 -3.410440723e+00 -3.410440723e+00 3.08 -3.357349098e+00 -3.357349098e+00 3.10 -3.303550463e+00 -3.303550463e+00 3.12 -3.249212452e+00 -3.249212452e+00 3.14 -3.194448425e+00 -3.194448425e+00 3.16 -3.139327301e+00 -3.139327301e+00 3.18 -3.083885707e+00 -3.083885707e+00 3.20 -3.028144615e+00 -3.028144615e+00 3.22 -2.972120632e+00 -2.972120632e+00 3.24 -2.915836173e+00 -2.915836173e+00 3.26 -2.859365845e+00 -2.859365845e+00 3.28 -2.802790195e+00 -2.802790195e+00 3.30 -2.746180382e+00 -2.746180382e+00 3.32 -2.689602898e+00 -2.689602898e+00 3.34 -2.633122488e+00 -2.633122488e+00 3.36 -2.576803802e+00 -2.576803802e+00 3.38 -2.520712211e+00 -2.520712211e+00 3.40 -2.464914095e+00 -2.464914095e+00 3.42 -2.409476943e+00 -2.409476943e+00 3.44 -2.354469229e+00 -2.354469229e+00 3.46 -2.299960422e+00 -2.299960422e+00 3.48 -2.246020862e+00 -2.246020862e+00 3.50 -2.192721431e+00 -2.192721431e+00 3.52 -2.140132749e+00 -2.140132749e+00 3.54 -2.088323689e+00 -2.088323689e+00 3.56 -2.037359081e+00 -2.037359081e+00 3.58 -1.987296790e+00 -1.987296790e+00 3.60 -1.938184547e+00 -1.938184547e+00 3.62 -1.890057128e+00 -1.890057128e+00 3.64 -1.842934445e+00 -1.842934445e+00 3.66 -1.796820894e+00 -1.796820894e+00 3.68 -1.751706031e+00 -1.751706031e+00 3.70 -1.707566345e+00 -1.707566345e+00 3.72 -1.664367735e+00 -1.664367735e+00 3.74 -1.622068300e+00 -1.622068300e+00 3.76 -1.580621081e+00 -1.580621081e+00 3.78 -1.539976565e+00 -1.539976565e+00 3.80 -1.500084805e+00 -1.500084805e+00 3.82 -1.460897138e+00 -1.460897138e+00 3.84 -1.422367471e+00 -1.422367471e+00 3.86 -1.384453179e+00 -1.384453179e+00 3.88 -1.347115648e+00 -1.347115648e+00 3.90 -1.310320508e+00 -1.310320508e+00 3.92 -1.274037626e+00 -1.274037626e+00 3.94 -1.238241040e+00 -1.238241040e+00 3.96 -1.202908685e+00 -1.202908685e+00 3.98 -1.168022362e+00 -1.168022362e+00 4.00 -1.133567774e+00 -1.133567774e+00 4.02 -1.099534798e+00 -1.099534798e+00 4.04 -1.065918014e+00 -1.065918014e+00 4.06 -1.032717454e+00 -1.032717454e+00 4.08 -9.999395012e-01 -9.999395012e-01 4.10 -9.675977245e-01 -9.675977245e-01 4.12 -9.357138621e-01 -9.357138621e-01 4.14 -9.043177444e-01 -9.043177444e-01 4.16 -8.734473334e-01 -8.734473334e-01 4.18 -8.431476779e-01 -8.431476779e-01 4.20 -8.134691808e-01 -8.134691808e-01 4.22 -7.844651822e-01 -7.844651822e-01 4.24 -7.561890549e-01 -7.561890549e-01 4.26 -7.286911040e-01 -7.286911040e-01 4.28 -7.020155931e-01 -7.020155931e-01 4.30 -6.761981947e-01 -6.761981947e-01 4.32 -6.512640809e-01 -6.512640809e-01 4.34 -6.272267616e-01 -6.272267616e-01 4.36 -6.040876715e-01 -6.040876715e-01 4.38 -5.818364256e-01 -5.818364256e-01 4.40 -5.604516149e-01 -5.604516149e-01 4.42 -5.399019998e-01 -5.399019998e-01 4.44 -5.201479661e-01 -5.201479661e-01 4.46 -5.011431255e-01 -5.011431255e-01 4.48 -4.828359653e-01 -4.828359653e-01 4.50 -4.651714735e-01 -4.651714735e-01 4.52 -4.480926858e-01 -4.480926858e-01 4.54 -4.315421209e-01 -4.315421209e-01 4.56 -4.154630921e-01 -4.154630921e-01 4.58 -3.998008956e-01 -3.998008956e-01 4.60 -3.845038933e-01 -3.845038933e-01 4.62 -3.695245108e-01 -3.695245108e-01 4.64 -3.548201720e-01 -3.548201720e-01 4.66 -3.403541840e-01 -3.403541840e-01 4.68 -3.260965712e-01 -3.260965712e-01 4.70 -3.120248405e-01 -3.120248405e-01 4.72 -2.981246350e-01 -2.981246350e-01 4.74 -2.843902196e-01 -2.843902196e-01 4.76 -2.708247268e-01 -2.708247268e-01 4.78 -2.574400864e-01 -2.574400864e-01 4.80 -2.442565339e-01 -2.442565339e-01 4.82 -2.313019234e-01 -2.313019234e-01 4.84 -2.186101637e-01 -2.186101637e-01 4.86 -2.062197593e-01 -2.062197593e-01 4.88 -1.941718261e-01 -1.941718261e-01 4.90 -1.825080132e-01 -1.825080132e-01 4.92 -1.712684313e-01 -1.712684313e-01 4.94 -1.604897406e-01 -1.604897406e-01 4.96 -1.502035284e-01 -1.502035284e-01 4.98 -1.404350698e-01 -1.404350698e-01 5.00 -1.312025173e-01 -1.312025173e-01 5.02 -1.225165221e-01 -1.225165221e-01 5.04 -1.143802505e-01 -1.143802505e-01 5.06 -1.067897365e-01 -1.067897365e-01 5.08 -9.973449888e-02 -9.973449888e-02 5.10 -9.319834509e-02 -9.319834509e-02 5.12 -8.716029259e-02 -8.716029259e-02 5.14 -8.159554529e-02 -8.159554529e-02 5.16 -7.647646549e-02 -7.647646549e-02 5.18 -7.177351868e-02 -7.177351868e-02 5.20 -6.745604153e-02 -6.745604153e-02 5.22 -6.349300759e-02 -6.349300759e-02 5.24 -5.985402518e-02 -5.985402518e-02 5.26 -5.650992721e-02 -5.650992721e-02 5.28 -5.343256702e-02 -5.343256702e-02 5.30 -5.059457165e-02 -5.059457165e-02 5.32 -4.797052053e-02 -4.797052053e-02 5.34 -4.553696915e-02 -4.553696915e-02 5.36 -4.327241916e-02 -4.327241916e-02 5.38 -4.115725599e-02 -4.115725599e-02 5.40 -3.917366301e-02 -3.917366301e-02 5.42 -3.730552092e-02 -3.730552092e-02 5.44 -3.553830010e-02 -3.553830010e-02 5.46 -3.385895305e-02 -3.385895305e-02 5.48 -3.225581272e-02 -3.225581272e-02 5.50 -3.071850133e-02 -3.071850133e-02 5.52 -2.923785318e-02 -2.923785318e-02 5.54 -2.780585344e-02 -2.780585344e-02 5.56 -2.641559374e-02 -2.641559374e-02 5.58 -2.506124282e-02 -2.506124282e-02 5.60 -2.373803167e-02 -2.373803167e-02 5.62 -2.244224801e-02 -2.244224801e-02 5.64 -2.117123480e-02 -2.117123480e-02 5.66 -1.992338603e-02 -1.992338603e-02 5.68 -1.869813172e-02 -1.869813172e-02 5.70 -1.749590395e-02 -1.749590395e-02 5.72 -1.631807597e-02 -1.631807597e-02 5.74 -1.516686830e-02 -1.516686830e-02 5.76 -1.404521842e-02 -1.404521842e-02 5.78 -1.295647552e-02 -1.295647552e-02 5.80 -1.190439032e-02 -1.190439032e-02 5.82 -1.089302801e-02 -1.089302801e-02 5.84 -9.926349252e-03 -9.926349252e-03 5.86 -9.007989237e-03 -9.007989237e-03 5.88 -8.141060838e-03 -8.141060838e-03 5.90 -7.327995983e-03 -7.327995983e-03 5.92 -6.570435482e-03 -6.570435482e-03 5.94 -5.869172371e-03 -5.869172371e-03 5.96 -5.224148378e-03 -5.224148378e-03 5.98 -4.634498078e-03 -4.634498078e-03 6.00 -4.098631635e-03 -4.098631635e-03