# 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 = FeMoPt2 # 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 3.464849722e+02 3.464849722e+02 1.30 3.220898990e+02 3.220898990e+02 1.32 2.993398644e+02 2.993398644e+02 1.34 2.781211044e+02 2.781211044e+02 1.36 2.583378378e+02 2.583378378e+02 1.38 2.399045653e+02 2.399045653e+02 1.40 2.227398993e+02 2.227398993e+02 1.42 2.067628466e+02 2.067628466e+02 1.44 1.918899083e+02 1.918899083e+02 1.46 1.780350618e+02 1.780350618e+02 1.48 1.651142277e+02 1.651142277e+02 1.50 1.530502254e+02 1.530502254e+02 1.52 1.417738781e+02 1.417738781e+02 1.54 1.312218966e+02 1.312218966e+02 1.56 1.213347147e+02 1.213347147e+02 1.58 1.120557633e+02 1.120557633e+02 1.60 1.033316502e+02 1.033316502e+02 1.62 9.511266421e+01 9.511266421e+01 1.64 8.735373962e+01 8.735373962e+01 1.66 8.001602974e+01 8.001602974e+01 1.68 7.306858747e+01 7.306858747e+01 1.70 6.648920855e+01 6.648920855e+01 1.72 6.026361983e+01 6.026361983e+01 1.74 5.438290643e+01 5.438290643e+01 1.76 4.884152479e+01 4.884152479e+01 1.78 4.363698803e+01 4.363698803e+01 1.80 3.886477567e+01 3.886477567e+01 1.82 3.453512411e+01 3.453512411e+01 1.84 3.061238981e+01 3.061238981e+01 1.86 2.706285452e+01 2.706285452e+01 1.88 2.385488219e+01 2.385488219e+01 1.90 2.095838527e+01 2.095838527e+01 1.92 1.834414089e+01 1.834414089e+01 1.94 1.598357149e+01 1.598357149e+01 1.96 1.384924446e+01 1.384924446e+01 1.98 1.191578938e+01 1.191578938e+01 2.00 1.016068127e+01 1.016068127e+01 2.02 8.564540907e+00 8.564540907e+00 2.04 7.110959211e+00 7.110959211e+00 2.06 5.786050911e+00 5.786050911e+00 2.08 4.577939381e+00 4.577939381e+00 2.10 3.476288089e+00 3.476288089e+00 2.12 2.471926105e+00 2.471926105e+00 2.14 1.556584694e+00 1.556584694e+00 2.16 7.227451731e-01 7.227451731e-01 2.18 -3.642389552e-02 -3.642389552e-02 2.20 -7.270816249e-01 -7.270816249e-01 2.22 -1.354724330e+00 -1.354724330e+00 2.24 -1.924215031e+00 -1.924215031e+00 2.26 -2.439837282e+00 -2.439837282e+00 2.28 -2.905365359e+00 -2.905365359e+00 2.30 -3.324140919e+00 -3.324140919e+00 2.32 -3.699149616e+00 -3.699149616e+00 2.34 -4.033094992e+00 -4.033094992e+00 2.36 -4.328469332e+00 -4.328469332e+00 2.38 -4.587621299e+00 -4.587621299e+00 2.40 -4.812819241e+00 -4.812819241e+00 2.42 -5.006307222e+00 -5.006307222e+00 2.44 -5.170349496e+00 -5.170349496e+00 2.46 -5.307259491e+00 -5.307259491e+00 2.48 -5.419410906e+00 -5.419410906e+00 2.50 -5.509229120e+00 -5.509229120e+00 2.52 -5.579127541e+00 -5.579127541e+00 2.54 -5.632547058e+00 -5.632547058e+00 2.56 -5.673478106e+00 -5.673478106e+00 2.58 -5.703413817e+00 -5.703413817e+00 2.60 -5.723611738e+00 -5.723611738e+00 2.62 -5.735074651e+00 -5.735074651e+00 2.64 -5.738540692e+00 -5.738540692e+00 2.66 -5.734519095e+00 -5.734519095e+00 2.68 -5.723335795e+00 -5.723335795e+00 2.70 -5.705074961e+00 -5.705074961e+00 2.72 -5.679731696e+00 -5.679731696e+00 2.74 -5.647331024e+00 -5.647331024e+00 2.76 -5.607936978e+00 -5.607936978e+00 2.78 -5.561654579e+00 -5.561654579e+00 2.80 -5.508629650e+00 -5.508629650e+00 2.82 -5.449049284e+00 -5.449049284e+00 2.84 -5.383146378e+00 -5.383146378e+00 2.86 -5.311205973e+00 -5.311205973e+00 2.88 -5.233567044e+00 -5.233567044e+00 2.90 -5.150641880e+00 -5.150641880e+00 2.92 -5.062925627e+00 -5.062925627e+00 2.94 -4.970998053e+00 -4.970998053e+00 2.96 -4.875512985e+00 -4.875512985e+00 2.98 -4.777172187e+00 -4.777172187e+00 3.00 -4.676634356e+00 -4.676634356e+00 3.02 -4.574391069e+00 -4.574391069e+00 3.04 -4.470870006e+00 -4.470870006e+00 3.06 -4.366426566e+00 -4.366426566e+00 3.08 -4.261321517e+00 -4.261321517e+00 3.10 -4.155717212e+00 -4.155717212e+00 3.12 -4.049689562e+00 -4.049689562e+00 3.14 -3.943250244e+00 -3.943250244e+00 3.16 -3.836373010e+00 -3.836373010e+00 3.18 -3.729019385e+00 -3.729019385e+00 3.20 -3.621160735e+00 -3.621160735e+00 3.22 -3.512795455e+00 -3.512795455e+00 3.24 -3.403961110e+00 -3.403961110e+00 3.26 -3.294741957e+00 -3.294741957e+00 3.28 -3.185323377e+00 -3.185323377e+00 3.30 -3.076265546e+00 -3.076265546e+00 3.32 -2.968246736e+00 -2.968246736e+00 3.34 -2.861902464e+00 -2.861902464e+00 3.36 -2.757816287e+00 -2.757816287e+00 3.38 -2.656509553e+00 -2.656509553e+00 3.40 -2.558431290e+00 -2.558431290e+00 3.42 -2.463949621e+00 -2.463949621e+00 3.44 -2.373345726e+00 -2.373345726e+00 3.46 -2.286811152e+00 -2.286811152e+00 3.48 -2.204448861e+00 -2.204448861e+00 3.50 -2.126278083e+00 -2.126278083e+00 3.52 -2.052242625e+00 -2.052242625e+00 3.54 -1.982221916e+00 -1.982221916e+00 3.56 -1.916043824e+00 -1.916043824e+00 3.58 -1.853498155e+00 -1.853498155e+00 3.60 -1.794349802e+00 -1.794349802e+00 3.62 -1.738350691e+00 -1.738350691e+00 3.64 -1.685249940e+00 -1.685249940e+00 3.66 -1.634801940e+00 -1.634801940e+00 3.68 -1.586772307e+00 -1.586772307e+00 3.70 -1.540941866e+00 -1.540941866e+00 3.72 -1.497108952e+00 -1.497108952e+00 3.74 -1.455090336e+00 -1.455090336e+00 3.76 -1.414721143e+00 -1.414721143e+00 3.78 -1.375854055e+00 -1.375854055e+00 3.80 -1.338358060e+00 -1.338358060e+00 3.82 -1.302116974e+00 -1.302116974e+00 3.84 -1.267027881e+00 -1.267027881e+00 3.86 -1.232999619e+00 -1.232999619e+00 3.88 -1.199951392e+00 -1.199951392e+00 3.90 -1.167811563e+00 -1.167811563e+00 3.92 -1.136516650e+00 -1.136516650e+00 3.94 -1.106010568e+00 -1.106010568e+00 3.96 -1.076244060e+00 -1.076244060e+00 3.98 -1.047174369e+00 -1.047174369e+00 4.00 -1.018765068e+00 -1.018765068e+00 4.02 -9.909860184e-01 -9.909860184e-01 4.04 -9.638133912e-01 -9.638133912e-01 4.06 -9.372296624e-01 -9.372296624e-01 4.08 -9.112234803e-01 -9.112234803e-01 4.10 -8.857892978e-01 -8.857892978e-01 4.12 -8.609267203e-01 -8.609267203e-01 4.14 -8.366394015e-01 -8.366394015e-01 4.16 -8.129336377e-01 -8.129336377e-01 4.18 -7.898166101e-01 -7.898166101e-01 4.20 -7.672944635e-01 -7.672944635e-01 4.22 -7.453704030e-01 -7.453704030e-01 4.24 -7.240430172e-01 -7.240430172e-01 4.26 -7.033050109e-01 -7.033050109e-01 4.28 -6.831424626e-01 -6.831424626e-01 4.30 -6.635346366e-01 -6.635346366e-01 4.32 -6.444542925e-01 -6.444542925e-01 4.34 -6.258683713e-01 -6.258683713e-01 4.36 -6.077389097e-01 -6.077389097e-01 4.38 -5.900240364e-01 -5.900240364e-01 4.40 -5.726789363e-01 -5.726789363e-01 4.42 -5.556567116e-01 -5.556567116e-01 4.44 -5.389091039e-01 -5.389091039e-01 4.46 -5.223871037e-01 -5.223871037e-01 4.48 -5.060414879e-01 -5.060414879e-01 4.50 -4.898232573e-01 -4.898232573e-01 4.52 -4.736843200e-01 -4.736843200e-01 4.54 -4.575793356e-01 -4.575793356e-01 4.56 -4.414621765e-01 -4.414621765e-01 4.58 -4.252897339e-01 -4.252897339e-01 4.60 -4.090235307e-01 -4.090235307e-01 4.62 -3.926307240e-01 -3.926307240e-01 4.64 -3.760854705e-01 -3.760854705e-01 4.66 -3.593705613e-01 -3.593705613e-01 4.68 -3.424792096e-01 -3.424792096e-01 4.70 -3.254168543e-01 -3.254168543e-01 4.72 -3.082028032e-01 -3.082028032e-01 4.74 -2.908715151e-01 -2.908715151e-01 4.76 -2.734732997e-01 -2.734732997e-01 4.78 -2.560742254e-01 -2.560742254e-01 4.80 -2.387550616e-01 -2.387550616e-01 4.82 -2.216091639e-01 -2.216091639e-01 4.84 -2.047393054e-01 -2.047393054e-01 4.86 -1.882536117e-01 -1.882536117e-01 4.88 -1.722608587e-01 -1.722608587e-01 4.90 -1.568655138e-01 -1.568655138e-01 4.92 -1.421629502e-01 -1.421629502e-01 4.94 -1.282352579e-01 -1.282352579e-01 4.96 -1.151480048e-01 -1.151480048e-01 4.98 -1.029481794e-01 -1.029481794e-01 5.00 -9.166340280e-02 -9.166340280e-02 5.02 -8.130234687e-02 -8.130234687e-02 5.04 -7.185618154e-02 -7.185618154e-02 5.06 -6.330079108e-02 -6.330079108e-02 5.08 -5.559947118e-02 -5.559947118e-02 5.10 -4.870582688e-02 -4.870582688e-02 5.12 -4.256663322e-02 -4.256663322e-02 5.14 -3.712448592e-02 -3.712448592e-02 5.16 -3.232010249e-02 -3.232010249e-02 5.18 -2.809423165e-02 -2.809423165e-02 5.20 -2.438914543e-02 -2.438914543e-02 5.22 -2.114976515e-02 -2.114976515e-02 5.24 -1.832442211e-02 -1.832442211e-02 5.26 -1.586515773e-02 -1.586515773e-02 5.28 -1.372776194e-02 -1.372776194e-02 5.30 -1.187314211e-02 -1.187314211e-02 5.32 -1.026609908e-02 -1.026609908e-02 5.34 -8.875110736e-03 -8.875110736e-03 5.36 -7.672163739e-03 -7.672163739e-03 5.38 -6.632517653e-03 -6.632517653e-03 5.40 -5.734433364e-03 -5.734433364e-03 5.42 -4.958888327e-03 -4.958888327e-03 5.44 -4.289293780e-03 -4.289293780e-03 5.46 -3.711223723e-03 -3.711223723e-03 5.48 -3.212161561e-03 -3.212161561e-03 5.50 -2.781267523e-03 -2.781267523e-03 5.52 -2.409168088e-03 -2.409168088e-03 5.54 -2.087767353e-03 -2.087767353e-03 5.56 -1.810079480e-03 -1.810079480e-03 5.58 -1.570080860e-03 -1.570080860e-03 5.60 -1.362580377e-03 -1.362580377e-03 5.62 -1.183106062e-03 -1.183106062e-03 5.64 -1.027806418e-03 -1.027806418e-03 5.66 -8.933647540e-04 -8.933647540e-04 5.68 -7.769250152e-04 -7.769250152e-04 5.70 -6.760276660e-04 -6.760276660e-04 5.72 -5.885543642e-04 -5.885543642e-04 5.74 -5.126802758e-04 -5.126802758e-04 5.76 -4.468330168e-04 -4.468330168e-04 5.78 -3.896573278e-04 -3.896573278e-04 5.80 -3.399846991e-04 -3.399846991e-04 5.82 -2.968072645e-04 -2.968072645e-04 5.84 -2.592553675e-04 -2.592553675e-04 5.86 -2.265782894e-04 -2.265782894e-04 5.88 -1.981276932e-04 -1.981276932e-04 5.90 -1.733434002e-04 -1.733434002e-04 5.92 -1.517411702e-04 -1.517411702e-04 5.94 -1.329022005e-04 -1.329022005e-04 5.96 -1.164641006e-04 -1.164641006e-04 5.98 -1.021131328e-04 -1.021131328e-04 6.00 -8.957753926e-05 -8.957753926e-05