# 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 = CoFePb2 # 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 3.103811259e+02 3.103811259e+02 1.30 2.883487862e+02 2.883487862e+02 1.32 2.679282246e+02 2.679282246e+02 1.34 2.489929638e+02 2.489929638e+02 1.36 2.314256537e+02 2.314256537e+02 1.38 2.151169876e+02 2.151169876e+02 1.40 1.999661222e+02 1.999661222e+02 1.42 1.858815270e+02 1.858815270e+02 1.44 1.727810467e+02 1.727810467e+02 1.46 1.605909961e+02 1.605909961e+02 1.48 1.492446887e+02 1.492446887e+02 1.50 1.386808746e+02 1.386808746e+02 1.52 1.288425634e+02 1.288425634e+02 1.54 1.196765021e+02 1.196765021e+02 1.56 1.111329935e+02 1.111329935e+02 1.58 1.031658672e+02 1.031658672e+02 1.60 9.573246742e+01 9.573246742e+01 1.62 8.879373218e+01 8.879373218e+01 1.64 8.231426019e+01 8.231426019e+01 1.66 7.626231961e+01 7.626231961e+01 1.68 7.060983332e+01 7.060983332e+01 1.70 6.534226305e+01 6.534226305e+01 1.72 6.044315148e+01 6.044315148e+01 1.74 5.588870538e+01 5.588870538e+01 1.76 5.165607030e+01 5.165607030e+01 1.78 4.772309827e+01 4.772309827e+01 1.80 4.406838854e+01 4.406838854e+01 1.82 4.067153998e+01 4.067153998e+01 1.84 3.751343217e+01 3.751343217e+01 1.86 3.457640346e+01 3.457640346e+01 1.88 3.184428354e+01 3.184428354e+01 1.90 2.930228935e+01 2.930228935e+01 1.92 2.693684903e+01 2.693684903e+01 1.94 2.473546228e+01 2.473546228e+01 1.96 2.268656902e+01 2.268656902e+01 1.98 2.077944690e+01 2.077944690e+01 2.00 1.900410627e+01 1.900410627e+01 2.02 1.735120788e+01 1.735120788e+01 2.04 1.581202916e+01 1.581202916e+01 2.06 1.437848187e+01 1.437848187e+01 2.08 1.304314884e+01 1.304314884e+01 2.10 1.179928690e+01 1.179928690e+01 2.12 1.064079466e+01 1.064079466e+01 2.14 9.562130741e+00 9.562130741e+00 2.16 8.558220258e+00 8.558220258e+00 2.18 7.624368500e+00 7.624368500e+00 2.20 6.756190477e+00 6.756190477e+00 2.22 5.949565906e+00 5.949565906e+00 2.24 5.200610365e+00 5.200610365e+00 2.26 4.505658688e+00 4.505658688e+00 2.28 3.861256204e+00 3.861256204e+00 2.30 3.264149126e+00 3.264149126e+00 2.32 2.711270375e+00 2.711270375e+00 2.34 2.199737081e+00 2.199737081e+00 2.36 1.726829968e+00 1.726829968e+00 2.38 1.289982271e+00 1.289982271e+00 2.40 8.867692325e-01 8.867692325e-01 2.42 5.149025767e-01 5.149025767e-01 2.44 1.722299959e-01 1.722299959e-01 2.46 -1.432610219e-01 -1.432610219e-01 2.48 -4.334390934e-01 -4.334390934e-01 2.50 -7.000278743e-01 -7.000278743e-01 2.52 -9.446413791e-01 -9.446413791e-01 2.54 -1.168738194e+00 -1.168738194e+00 2.56 -1.373615703e+00 -1.373615703e+00 2.58 -1.560486536e+00 -1.560486536e+00 2.60 -1.730492714e+00 -1.730492714e+00 2.62 -1.884714348e+00 -1.884714348e+00 2.64 -2.024178689e+00 -2.024178689e+00 2.66 -2.149854129e+00 -2.149854129e+00 2.68 -2.262646396e+00 -2.262646396e+00 2.70 -2.363355489e+00 -2.363355489e+00 2.72 -2.452712343e+00 -2.452712343e+00 2.74 -2.531409793e+00 -2.531409793e+00 2.76 -2.600108287e+00 -2.600108287e+00 2.78 -2.659438629e+00 -2.659438629e+00 2.80 -2.710006666e+00 -2.710006666e+00 2.82 -2.752393181e+00 -2.752393181e+00 2.84 -2.787157238e+00 -2.787157238e+00 2.86 -2.814836128e+00 -2.814836128e+00 2.88 -2.835918402e+00 -2.835918402e+00 2.90 -2.850803085e+00 -2.850803085e+00 2.92 -2.859871000e+00 -2.859871000e+00 2.94 -2.863496135e+00 -2.863496135e+00 2.96 -2.862043580e+00 -2.862043580e+00 2.98 -2.855868772e+00 -2.855868772e+00 3.00 -2.845317480e+00 -2.845317480e+00 3.02 -2.830725715e+00 -2.830725715e+00 3.04 -2.812418052e+00 -2.812418052e+00 3.06 -2.790740895e+00 -2.790740895e+00 3.08 -2.766045640e+00 -2.766045640e+00 3.10 -2.738515171e+00 -2.738515171e+00 3.12 -2.708325356e+00 -2.708325356e+00 3.14 -2.675660980e+00 -2.675660980e+00 3.16 -2.640707986e+00 -2.640707986e+00 3.18 -2.603660592e+00 -2.603660592e+00 3.20 -2.564716465e+00 -2.564716465e+00 3.22 -2.524050013e+00 -2.524050013e+00 3.24 -2.481832919e+00 -2.481832919e+00 3.26 -2.438250026e+00 -2.438250026e+00 3.28 -2.393495540e+00 -2.393495540e+00 3.30 -2.347769200e+00 -2.347769200e+00 3.32 -2.301272471e+00 -2.301272471e+00 3.34 -2.254204649e+00 -2.254204649e+00 3.36 -2.206758824e+00 -2.206758824e+00 3.38 -2.159117815e+00 -2.159117815e+00 3.40 -2.111449957e+00 -2.111449957e+00 3.42 -2.063907486e+00 -2.063907486e+00 3.44 -2.016621707e+00 -2.016621707e+00 3.46 -1.969703628e+00 -1.969703628e+00 3.48 -1.923243480e+00 -1.923243480e+00 3.50 -1.877311763e+00 -1.877311763e+00 3.52 -1.831961112e+00 -1.831961112e+00 3.54 -1.787228761e+00 -1.787228761e+00 3.56 -1.743139342e+00 -1.743139342e+00 3.58 -1.699707844e+00 -1.699707844e+00 3.60 -1.656942560e+00 -1.656942560e+00 3.62 -1.614847896e+00 -1.614847896e+00 3.64 -1.573426909e+00 -1.573426909e+00 3.66 -1.532683441e+00 -1.532683441e+00 3.68 -1.492623721e+00 -1.492623721e+00 3.70 -1.453257290e+00 -1.453257290e+00 3.72 -1.414597176e+00 -1.414597176e+00 3.74 -1.376659326e+00 -1.376659326e+00 3.76 -1.339461385e+00 -1.339461385e+00 3.78 -1.303021057e+00 -1.303021057e+00 3.80 -1.267354349e+00 -1.267354349e+00 3.82 -1.232473976e+00 -1.232473976e+00 3.84 -1.198388202e+00 -1.198388202e+00 3.86 -1.165100224e+00 -1.165100224e+00 3.88 -1.132608118e+00 -1.132608118e+00 3.90 -1.100905252e+00 -1.100905252e+00 3.92 -1.069980142e+00 -1.069980142e+00 3.94 -1.039820887e+00 -1.039820887e+00 3.96 -1.010410393e+00 -1.010410393e+00 3.98 -9.817310921e-01 -9.817310921e-01 4.00 -9.537645271e-01 -9.537645271e-01 4.02 -9.264918309e-01 -9.264918309e-01 4.04 -8.998940945e-01 -8.998940945e-01 4.06 -8.739526472e-01 -8.739526472e-01 4.08 -8.486492912e-01 -8.486492912e-01 4.10 -8.239643820e-01 -8.239643820e-01 4.12 -7.998860277e-01 -7.998860277e-01 4.14 -7.763962566e-01 -7.763962566e-01 4.16 -7.534811980e-01 -7.534811980e-01 4.18 -7.311287495e-01 -7.311287495e-01 4.20 -7.093288259e-01 -7.093288259e-01 4.22 -6.880735174e-01 -6.880735174e-01 4.24 -6.673570975e-01 -6.673570975e-01 4.26 -6.471758343e-01 -6.471758343e-01 4.28 -6.275275747e-01 -6.275275747e-01 4.30 -6.084111177e-01 -6.084111177e-01 4.32 -5.898254315e-01 -5.898254315e-01 4.34 -5.717688121e-01 -5.717688121e-01 4.36 -5.542380989e-01 -5.542380989e-01 4.38 -5.372280601e-01 -5.372280601e-01 4.40 -5.207310216e-01 -5.207310216e-01 4.42 -5.047367711e-01 -5.047367711e-01 4.44 -4.892327124e-01 -4.892327124e-01 4.46 -4.742042107e-01 -4.742042107e-01 4.48 -4.596350484e-01 -4.596350484e-01 4.50 -4.455079156e-01 -4.455079156e-01 4.52 -4.318048715e-01 -4.318048715e-01 4.54 -4.185077380e-01 -4.185077380e-01 4.56 -4.055984068e-01 -4.055984068e-01 4.58 -3.930590608e-01 -3.930590608e-01 4.60 -3.808723212e-01 -3.808723212e-01 4.62 -3.690213393e-01 -3.690213393e-01 4.64 -3.574898523e-01 -3.574898523e-01 4.66 -3.462622239e-01 -3.462622239e-01 4.68 -3.353234867e-01 -3.353234867e-01 4.70 -3.246593995e-01 -3.246593995e-01 4.72 -3.142565307e-01 -3.142565307e-01 4.74 -3.041023742e-01 -3.041023742e-01 4.76 -2.941854973e-01 -2.941854973e-01 4.78 -2.844957179e-01 -2.844957179e-01 4.80 -2.750227647e-01 -2.750227647e-01 4.82 -2.657628568e-01 -2.657628568e-01 4.84 -2.567088928e-01 -2.567088928e-01 4.86 -2.478575257e-01 -2.478575257e-01 4.88 -2.392073681e-01 -2.392073681e-01 4.90 -2.307589095e-01 -2.307589095e-01 4.92 -2.225142997e-01 -2.225142997e-01 4.94 -2.144769941e-01 -2.144769941e-01 4.96 -2.066512794e-01 -2.066512794e-01 4.98 -1.990417161e-01 -1.990417161e-01 5.00 -1.916525570e-01 -1.916525570e-01 5.02 -1.844872056e-01 -1.844872056e-01 5.04 -1.775477768e-01 -1.775477768e-01 5.06 -1.708348174e-01 -1.708348174e-01 5.08 -1.643472041e-01 -1.643472041e-01 5.10 -1.580822212e-01 -1.580822212e-01 5.12 -1.520357907e-01 -1.520357907e-01 5.14 -1.462028110e-01 -1.462028110e-01 5.16 -1.405775446e-01 -1.405775446e-01 5.18 -1.351540071e-01 -1.351540071e-01 5.20 -1.299263101e-01 -1.299263101e-01 5.22 -1.248889220e-01 -1.248889220e-01 5.24 -1.200368295e-01 -1.200368295e-01 5.26 -1.153655944e-01 -1.153655944e-01 5.28 -1.108712895e-01 -1.108712895e-01 5.30 -1.065497745e-01 -1.065497745e-01 5.32 -1.023978396e-01 -1.023978396e-01 5.34 -9.841263882e-02 -9.841263882e-02 5.36 -9.459106841e-02 -9.459106841e-02 5.38 -9.092960253e-02 -9.092960253e-02 5.40 -8.742416687e-02 -8.742416687e-02 5.42 -8.407006138e-02 -8.407006138e-02 5.44 -8.086193518e-02 -8.086193518e-02 5.46 -7.779381117e-02 -7.779381117e-02 5.48 -7.485915215e-02 -7.485915215e-02 5.50 -7.205095819e-02 -7.205095819e-02 5.52 -6.936188309e-02 -6.936188309e-02 5.54 -6.678435907e-02 -6.678435907e-02 5.56 -6.431072007e-02 -6.431072007e-02 5.58 -6.193331644e-02 -6.193331644e-02 5.60 -5.964461633e-02 -5.964461633e-02 5.62 -5.743729155e-02 -5.743729155e-02 5.64 -5.530428740e-02 -5.530428740e-02 5.66 -5.323887762e-02 -5.323887762e-02 5.68 -5.123470650e-02 -5.123470650e-02 5.70 -4.928582090e-02 -4.928582090e-02 5.72 -4.738669484e-02 -4.738669484e-02 5.74 -4.553224943e-02 -4.553224943e-02 5.76 -4.371787050e-02 -4.371787050e-02 5.78 -4.193942572e-02 -4.193942572e-02 5.80 -4.019328266e-02 -4.019328266e-02 5.82 -3.847632817e-02 -3.847632817e-02 5.84 -3.678598938e-02 -3.678598938e-02 5.86 -3.512025523e-02 -3.512025523e-02 5.88 -3.347769732e-02 -3.347769732e-02 5.90 -3.185748792e-02 -3.185748792e-02 5.92 -3.025941248e-02 -3.025941248e-02 5.94 -2.868387375e-02 -2.868387375e-02 5.96 -2.713188445e-02 -2.713188445e-02 5.98 -2.560504422e-02 -2.560504422e-02 6.00 -2.410550049e-02 -2.410550049e-02