# 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 = Co2FePt # 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 2.056697476e+02 2.056697476e+02 1.30 1.892628477e+02 1.892628477e+02 1.32 1.741071529e+02 1.741071529e+02 1.34 1.601081996e+02 1.601081996e+02 1.36 1.471784010e+02 1.471784010e+02 1.38 1.352322857e+02 1.352322857e+02 1.40 1.241851180e+02 1.241851180e+02 1.42 1.139554749e+02 1.139554749e+02 1.44 1.044693871e+02 1.044693871e+02 1.46 9.566349489e+01 9.566349489e+01 1.48 8.748530241e+01 8.748530241e+01 1.50 7.989031157e+01 7.989031157e+01 1.52 7.283809425e+01 7.283809425e+01 1.54 6.628964812e+01 6.628964812e+01 1.56 6.020676307e+01 6.020676307e+01 1.58 5.455267394e+01 5.455267394e+01 1.60 4.929296764e+01 4.929296764e+01 1.62 4.439624454e+01 4.439624454e+01 1.64 3.983453558e+01 3.983453558e+01 1.66 3.558509348e+01 3.558509348e+01 1.68 3.168297511e+01 3.168297511e+01 1.70 2.812967842e+01 2.812967842e+01 1.72 2.489789799e+01 2.489789799e+01 1.74 2.196190917e+01 2.196190917e+01 1.76 1.929693540e+01 1.929693540e+01 1.78 1.687903378e+01 1.687903378e+01 1.80 1.468550934e+01 1.468550934e+01 1.82 1.269545518e+01 1.269545518e+01 1.84 1.089000156e+01 1.089000156e+01 1.86 9.252191626e+00 9.252191626e+00 1.88 7.766670773e+00 7.766670773e+00 1.90 6.419409078e+00 6.419409078e+00 1.92 5.197565915e+00 5.197565915e+00 1.94 4.089478064e+00 4.089478064e+00 1.96 3.084680632e+00 3.084680632e+00 1.98 2.173873467e+00 2.173873467e+00 2.00 1.348805492e+00 1.348805492e+00 2.02 6.021155579e-01 6.021155579e-01 2.04 -7.281457033e-02 -7.281457033e-02 2.06 -6.819721077e-01 -6.819721077e-01 2.08 -1.230800723e+00 -1.230800723e+00 2.10 -1.724279018e+00 -1.724279018e+00 2.12 -2.166991506e+00 -2.166991506e+00 2.14 -2.563181718e+00 -2.563181718e+00 2.16 -2.916778277e+00 -2.916778277e+00 2.18 -3.231396849e+00 -3.231396849e+00 2.20 -3.510332782e+00 -3.510332782e+00 2.22 -3.756560844e+00 -3.756560844e+00 2.24 -3.972750010e+00 -3.972750010e+00 2.26 -4.161291209e+00 -4.161291209e+00 2.28 -4.324331489e+00 -4.324331489e+00 2.30 -4.463809106e+00 -4.463809106e+00 2.32 -4.581531453e+00 -4.581531453e+00 2.34 -4.680450438e+00 -4.680450438e+00 2.36 -4.762265591e+00 -4.762265591e+00 2.38 -4.827893554e+00 -4.827893554e+00 2.40 -4.878272620e+00 -4.878272620e+00 2.42 -4.914363633e+00 -4.914363633e+00 2.44 -4.937149575e+00 -4.937149575e+00 2.46 -4.947634909e+00 -4.947634909e+00 2.48 -4.946878315e+00 -4.946878315e+00 2.50 -4.936000572e+00 -4.936000572e+00 2.52 -4.915971364e+00 -4.915971364e+00 2.54 -4.887787623e+00 -4.887787623e+00 2.56 -4.852468865e+00 -4.852468865e+00 2.58 -4.811019594e+00 -4.811019594e+00 2.60 -4.764381147e+00 -4.764381147e+00 2.62 -4.713382628e+00 -4.713382628e+00 2.64 -4.658660551e+00 -4.658660551e+00 2.66 -4.600580987e+00 -4.600580987e+00 2.68 -4.539382776e+00 -4.539382776e+00 2.70 -4.475222602e+00 -4.475222602e+00 2.72 -4.408202663e+00 -4.408202663e+00 2.74 -4.338399925e+00 -4.338399925e+00 2.76 -4.265890311e+00 -4.265890311e+00 2.78 -4.190765451e+00 -4.190765451e+00 2.80 -4.113137001e+00 -4.113137001e+00 2.82 -4.033077459e+00 -4.033077459e+00 2.84 -3.950661877e+00 -3.950661877e+00 2.86 -3.866023783e+00 -3.866023783e+00 2.88 -3.779355157e+00 -3.779355157e+00 2.90 -3.690906577e+00 -3.690906577e+00 2.92 -3.600987385e+00 -3.600987385e+00 2.94 -3.509963305e+00 -3.509963305e+00 2.96 -3.418248384e+00 -3.418248384e+00 2.98 -3.326324819e+00 -3.326324819e+00 3.00 -3.234866003e+00 -3.234866003e+00 3.02 -3.144506638e+00 -3.144506638e+00 3.04 -3.055734007e+00 -3.055734007e+00 3.06 -2.968883778e+00 -2.968883778e+00 3.08 -2.884148822e+00 -2.884148822e+00 3.10 -2.801599721e+00 -2.801599721e+00 3.12 -2.721213302e+00 -2.721213302e+00 3.14 -2.642904537e+00 -2.642904537e+00 3.16 -2.566557310e+00 -2.566557310e+00 3.18 -2.492050669e+00 -2.492050669e+00 3.20 -2.419278486e+00 -2.419278486e+00 3.22 -2.348161909e+00 -2.348161909e+00 3.24 -2.278655041e+00 -2.278655041e+00 3.26 -2.210744922e+00 -2.210744922e+00 3.28 -2.144447193e+00 -2.144447193e+00 3.30 -2.079798884e+00 -2.079798884e+00 3.32 -2.016849719e+00 -2.016849719e+00 3.34 -1.955653183e+00 -1.955653183e+00 3.36 -1.896258391e+00 -1.896258391e+00 3.38 -1.838703538e+00 -1.838703538e+00 3.40 -1.783011373e+00 -1.783011373e+00 3.42 -1.729186808e+00 -1.729186808e+00 3.44 -1.677216482e+00 -1.677216482e+00 3.46 -1.627069913e+00 -1.627069913e+00 3.48 -1.578701728e+00 -1.578701728e+00 3.50 -1.532054496e+00 -1.532054496e+00 3.52 -1.487061720e+00 -1.487061720e+00 3.54 -1.443650674e+00 -1.443650674e+00 3.56 -1.401744881e+00 -1.401744881e+00 3.58 -1.361266143e+00 -1.361266143e+00 3.60 -1.322136113e+00 -1.322136113e+00 3.62 -1.284277468e+00 -1.284277468e+00 3.64 -1.247614761e+00 -1.247614761e+00 3.66 -1.212075037e+00 -1.212075037e+00 3.68 -1.177588298e+00 -1.177588298e+00 3.70 -1.144087853e+00 -1.144087853e+00 3.72 -1.111510595e+00 -1.111510595e+00 3.74 -1.079797194e+00 -1.079797194e+00 3.76 -1.048892199e+00 -1.048892199e+00 3.78 -1.018744020e+00 -1.018744020e+00 3.80 -9.893047868e-01 -9.893047868e-01 3.82 -9.605300727e-01 -9.605300727e-01 3.84 -9.323785049e-01 -9.323785049e-01 3.86 -9.048113023e-01 -9.048113023e-01 3.88 -8.777917885e-01 -8.777917885e-01 3.90 -8.512849457e-01 -8.512849457e-01 3.92 -8.252570746e-01 -8.252570746e-01 3.94 -7.996756339e-01 -7.996756339e-01 3.96 -7.745092975e-01 -7.745092975e-01 3.98 -7.497283039e-01 -7.497283039e-01 4.00 -7.253051064e-01 -7.253051064e-01 4.02 -7.012153354e-01 -7.012153354e-01 4.04 -6.774390466e-01 -6.774390466e-01 4.06 -6.539621845e-01 -6.539621845e-01 4.08 -6.307781455e-01 -6.307781455e-01 4.10 -6.078892734e-01 -6.078892734e-01 4.12 -5.853080957e-01 -5.853080957e-01 4.14 -5.630580245e-01 -5.630580245e-01 4.16 -5.411733654e-01 -5.411733654e-01 4.18 -5.196984162e-01 -5.196984162e-01 4.20 -4.986856014e-01 -4.986856014e-01 4.22 -4.781926955e-01 -4.781926955e-01 4.24 -4.582793263e-01 -4.582793263e-01 4.26 -4.390030692e-01 -4.390030692e-01 4.28 -4.204155190e-01 -4.204155190e-01 4.30 -4.025587372e-01 -4.025587372e-01 4.32 -3.854624242e-01 -3.854624242e-01 4.34 -3.691420682e-01 -3.691420682e-01 4.36 -3.535981898e-01 -3.535981898e-01 4.38 -3.388166657e-01 -3.388166657e-01 4.40 -3.247699895e-01 -3.247699895e-01 4.42 -3.114192373e-01 -3.114192373e-01 4.44 -2.987164627e-01 -2.987164627e-01 4.46 -2.866072441e-01 -2.866072441e-01 4.48 -2.750331534e-01 -2.750331534e-01 4.50 -2.639339781e-01 -2.639339781e-01 4.52 -2.532496081e-01 -2.532496081e-01 4.54 -2.429215615e-01 -2.429215615e-01 4.56 -2.328941825e-01 -2.328941825e-01 4.58 -2.231155693e-01 -2.231155693e-01 4.60 -2.135383096e-01 -2.135383096e-01 4.62 -2.041200962e-01 -2.041200962e-01 4.64 -1.948242833e-01 -1.948242833e-01 4.66 -1.856204226e-01 -1.856204226e-01 4.68 -1.764847966e-01 -1.764847966e-01 4.70 -1.674009357e-01 -1.674009357e-01 4.72 -1.583600850e-01 -1.583600850e-01 4.74 -1.493615635e-01 -1.493615635e-01 4.76 -1.404129427e-01 -1.404129427e-01 4.78 -1.315299693e-01 -1.315299693e-01 4.80 -1.227361617e-01 -1.227361617e-01 4.82 -1.140620339e-01 -1.140620339e-01 4.84 -1.055439247e-01 -1.055439247e-01 4.86 -9.722246662e-02 -9.722246662e-02 4.88 -8.914075542e-02 -8.914075542e-02 4.90 -8.134233040e-02 -8.134233040e-02 4.92 -7.386909983e-02 -7.386909983e-02 4.94 -6.675935781e-02 -6.675935781e-02 4.96 -6.004603159e-02 -6.004603159e-02 4.98 -5.375528764e-02 -5.375528764e-02 5.00 -4.790557238e-02 -4.790557238e-02 5.02 -4.250713180e-02 -4.250713180e-02 5.04 -3.756201768e-02 -3.756201768e-02 5.06 -3.306453552e-02 -3.306453552e-02 5.08 -2.900225991e-02 -2.900225991e-02 5.10 -2.535676995e-02 -2.535676995e-02 5.12 -2.210475620e-02 -2.210475620e-02 5.14 -1.921966091e-02 -1.921966091e-02 5.16 -1.667284104e-02 -1.667284104e-02 5.18 -1.443447575e-02 -1.443447575e-02 5.20 -1.247522329e-02 -1.247522329e-02 5.22 -1.076648850e-02 -1.076648850e-02 5.24 -9.280924444e-03 -9.280924444e-03 5.26 -7.992871155e-03 -7.992871155e-03 5.28 -6.878628385e-03 -6.878628385e-03 5.30 -5.916592395e-03 -5.916592395e-03 5.32 -5.087287023e-03 -5.087287023e-03 5.34 -4.373316688e-03 -4.373316688e-03 5.36 -3.759265293e-03 -3.759265293e-03 5.38 -3.231560640e-03 -3.231560640e-03 5.40 -2.778319753e-03 -2.778319753e-03 5.42 -2.389186671e-03 -2.389186671e-03 5.44 -2.055170972e-03 -2.055170972e-03 5.46 -1.768492648e-03 -1.768492648e-03 5.48 -1.522436869e-03 -1.522436869e-03 5.50 -1.311220614e-03 -1.311220614e-03 5.52 -1.129872023e-03 -1.129872023e-03 5.54 -9.741225426e-04 -9.741225426e-04 5.56 -8.403113936e-04 -8.403113936e-04 5.58 -7.253016182e-04 -7.253016182e-04 5.60 -6.264067333e-04 -6.264067333e-04 5.62 -5.413269810e-04 -5.413269810e-04 5.64 -4.680941414e-04 -4.680941414e-04 5.66 -4.050239140e-04 -4.050239140e-04 5.68 -3.506749424e-04 -3.506749424e-04 5.70 -3.038136287e-04 -3.038136287e-04 5.72 -2.633839726e-04 -2.633839726e-04 5.74 -2.284817534e-04 -2.284817534e-04 5.76 -1.983324510e-04 -1.983324510e-04 5.78 -1.722723810e-04 -1.722723810e-04 5.80 -1.497325844e-04 -1.497325844e-04 5.82 -1.302250754e-04 -1.302250754e-04 5.84 -1.133311045e-04 -1.133311045e-04 5.86 -9.869114308e-05 -9.869114308e-05 5.88 -8.599633603e-05 -8.599633603e-05 5.90 -7.498120687e-05 -7.498120687e-05 5.92 -6.541743059e-05 -6.541743059e-05 5.94 -5.710851628e-05 -5.710851628e-05 5.96 -4.988526523e-05 -4.988526523e-05 5.98 -4.360188995e-05 -4.360188995e-05 6.00 -3.813269646e-05 -3.813269646e-05