# 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 = Co2MoZr # 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 2.282593506e+02 2.282593506e+02 1.30 2.106132319e+02 2.106132319e+02 1.32 1.943254584e+02 1.943254584e+02 1.34 1.792821660e+02 1.792821660e+02 1.36 1.653787285e+02 1.653787285e+02 1.38 1.525196420e+02 1.525196420e+02 1.40 1.406185121e+02 1.406185121e+02 1.42 1.295975167e+02 1.295975167e+02 1.44 1.193863350e+02 1.193863350e+02 1.46 1.099213174e+02 1.099213174e+02 1.48 1.011452323e+02 1.011452323e+02 1.50 9.300692337e+01 9.300692337e+01 1.52 8.546039105e+01 8.546039105e+01 1.54 7.846364074e+01 7.846364074e+01 1.56 7.197793566e+01 7.197793566e+01 1.58 6.596749925e+01 6.596749925e+01 1.60 6.039923538e+01 6.039923538e+01 1.62 5.524224718e+01 5.524224718e+01 1.64 5.046733037e+01 5.046733037e+01 1.66 4.604667784e+01 4.604667784e+01 1.68 4.195388666e+01 4.195388666e+01 1.70 3.816417905e+01 3.816417905e+01 1.72 3.465450485e+01 3.465450485e+01 1.74 3.140345447e+01 3.140345447e+01 1.76 2.839108126e+01 2.839108126e+01 1.78 2.559883106e+01 2.559883106e+01 1.80 2.300978568e+01 2.300978568e+01 1.82 2.060891478e+01 2.060891478e+01 1.84 1.838393079e+01 1.838393079e+01 1.86 1.632308691e+01 1.632308691e+01 1.88 1.441600332e+01 1.441600332e+01 1.90 1.265227443e+01 1.265227443e+01 1.92 1.102242814e+01 1.102242814e+01 1.94 9.517753024e+00 9.517753024e+00 1.96 8.130063157e+00 8.130063157e+00 1.98 6.851570682e+00 6.851570682e+00 2.00 5.674842663e+00 5.674842663e+00 2.02 4.592791965e+00 4.592791965e+00 2.04 3.598666882e+00 3.598666882e+00 2.06 2.686021151e+00 2.686021151e+00 2.08 1.848673372e+00 1.848673372e+00 2.10 1.080695196e+00 1.080695196e+00 2.12 3.764411945e-01 3.764411945e-01 2.14 -2.693870146e-01 -2.693870146e-01 2.16 -8.616567644e-01 -8.616567644e-01 2.18 -1.404750983e+00 -1.404750983e+00 2.20 -1.902554176e+00 -1.902554176e+00 2.22 -2.358498019e+00 -2.358498019e+00 2.24 -2.775627132e+00 -2.775627132e+00 2.26 -3.156664602e+00 -3.156664602e+00 2.28 -3.504075457e+00 -3.504075457e+00 2.30 -3.820089719e+00 -3.820089719e+00 2.32 -4.106759238e+00 -4.106759238e+00 2.34 -4.365970076e+00 -4.365970076e+00 2.36 -4.599486680e+00 -4.599486680e+00 2.38 -4.808975410e+00 -4.808975410e+00 2.40 -4.996026189e+00 -4.996026189e+00 2.42 -5.162172552e+00 -5.162172552e+00 2.44 -5.308897325e+00 -5.308897325e+00 2.46 -5.437636842e+00 -5.437636842e+00 2.48 -5.549769580e+00 -5.549769580e+00 2.50 -5.646597573e+00 -5.646597573e+00 2.52 -5.729326926e+00 -5.729326926e+00 2.54 -5.799112617e+00 -5.799112617e+00 2.56 -5.856936127e+00 -5.856936127e+00 2.58 -5.903596953e+00 -5.903596953e+00 2.60 -5.939710602e+00 -5.939710602e+00 2.62 -5.965961417e+00 -5.965961417e+00 2.64 -5.983071705e+00 -5.983071705e+00 2.66 -5.991668046e+00 -5.991668046e+00 2.68 -5.992269927e+00 -5.992269927e+00 2.70 -5.985159565e+00 -5.985159565e+00 2.72 -5.970565696e+00 -5.970565696e+00 2.74 -5.948748666e+00 -5.948748666e+00 2.76 -5.919978027e+00 -5.919978027e+00 2.78 -5.884411540e+00 -5.884411540e+00 2.80 -5.842271228e+00 -5.842271228e+00 2.82 -5.793777470e+00 -5.793777470e+00 2.84 -5.739123491e+00 -5.739123491e+00 2.86 -5.678550682e+00 -5.678550682e+00 2.88 -5.612344183e+00 -5.612344183e+00 2.90 -5.540832408e+00 -5.540832408e+00 2.92 -5.464388500e+00 -5.464388500e+00 2.94 -5.383431514e+00 -5.383431514e+00 2.96 -5.298425219e+00 -5.298425219e+00 2.98 -5.209853168e+00 -5.209853168e+00 3.00 -5.118148129e+00 -5.118148129e+00 3.02 -5.023750965e+00 -5.023750965e+00 3.04 -4.927113409e+00 -4.927113409e+00 3.06 -4.828687232e+00 -4.828687232e+00 3.08 -4.728883333e+00 -4.728883333e+00 3.10 -4.628068937e+00 -4.628068937e+00 3.12 -4.526551810e+00 -4.526551810e+00 3.14 -4.424585999e+00 -4.424585999e+00 3.16 -4.322362440e+00 -4.322362440e+00 3.18 -4.220026908e+00 -4.220026908e+00 3.20 -4.117688499e+00 -4.117688499e+00 3.22 -4.015431855e+00 -4.015431855e+00 3.24 -3.913329674e+00 -3.913329674e+00 3.26 -3.811454810e+00 -3.811454810e+00 3.28 -3.709891007e+00 -3.709891007e+00 3.30 -3.608741064e+00 -3.608741064e+00 3.32 -3.508131386e+00 -3.508131386e+00 3.34 -3.408212573e+00 -3.408212573e+00 3.36 -3.309156585e+00 -3.309156585e+00 3.38 -3.211151709e+00 -3.211151709e+00 3.40 -3.114395473e+00 -3.114395473e+00 3.42 -3.019093762e+00 -3.019093762e+00 3.44 -2.925447222e+00 -2.925447222e+00 3.46 -2.833651391e+00 -2.833651391e+00 3.48 -2.743889472e+00 -2.743889472e+00 3.50 -2.656326473e+00 -2.656326473e+00 3.52 -2.571103520e+00 -2.571103520e+00 3.54 -2.488332897e+00 -2.488332897e+00 3.56 -2.408094387e+00 -2.408094387e+00 3.58 -2.330433377e+00 -2.330433377e+00 3.60 -2.255360910e+00 -2.255360910e+00 3.62 -2.182855639e+00 -2.182855639e+00 3.64 -2.112867423e+00 -2.112867423e+00 3.66 -2.045322177e+00 -2.045322177e+00 3.68 -1.980127527e+00 -1.980127527e+00 3.70 -1.917178862e+00 -1.917178862e+00 3.72 -1.856365392e+00 -1.856365392e+00 3.74 -1.797575884e+00 -1.797575884e+00 3.76 -1.740703811e+00 -1.740703811e+00 3.78 -1.685651642e+00 -1.685651642e+00 3.80 -1.632334034e+00 -1.632334034e+00 3.82 -1.580679703e+00 -1.580679703e+00 3.84 -1.530631787e+00 -1.530631787e+00 3.86 -1.482146642e+00 -1.482146642e+00 3.88 -1.435191188e+00 -1.435191188e+00 3.90 -1.389739170e+00 -1.389739170e+00 3.92 -1.345765056e+00 -1.345765056e+00 3.94 -1.303247764e+00 -1.303247764e+00 3.96 -1.262155117e+00 -1.262155117e+00 3.98 -1.222450584e+00 -1.222450584e+00 4.00 -1.184090401e+00 -1.184090401e+00 4.02 -1.147024268e+00 -1.147024268e+00 4.04 -1.111196919e+00 -1.111196919e+00 4.06 -1.076550168e+00 -1.076550168e+00 4.08 -1.043025042e+00 -1.043025042e+00 4.10 -1.010559882e+00 -1.010559882e+00 4.12 -9.791082017e-01 -9.791082017e-01 4.14 -9.486144193e-01 -9.486144193e-01 4.16 -9.190328425e-01 -9.190328425e-01 4.18 -8.903235246e-01 -8.903235246e-01 4.20 -8.624526231e-01 -8.624526231e-01 4.22 -8.353924536e-01 -8.353924536e-01 4.24 -8.091212181e-01 -8.091212181e-01 4.26 -7.836223793e-01 -7.836223793e-01 4.28 -7.588836803e-01 -7.588836803e-01 4.30 -7.348958548e-01 -7.348958548e-01 4.32 -7.116511340e-01 -7.116511340e-01 4.34 -6.891417075e-01 -6.891417075e-01 4.36 -6.673583205e-01 -6.673583205e-01 4.38 -6.462891742e-01 -6.462891742e-01 4.40 -6.259192409e-01 -6.259192409e-01 4.42 -6.062300307e-01 -6.062300307e-01 4.44 -5.871997653e-01 -5.871997653e-01 4.46 -5.688038607e-01 -5.688038607e-01 4.48 -5.510155927e-01 -5.510155927e-01 4.50 -5.338068206e-01 -5.338068206e-01 4.52 -5.171486753e-01 -5.171486753e-01 4.54 -5.010121469e-01 -5.010121469e-01 4.56 -4.853685462e-01 -4.853685462e-01 4.58 -4.701898393e-01 -4.701898393e-01 4.60 -4.554488745e-01 -4.554488745e-01 4.62 -4.411195298e-01 -4.411195298e-01 4.64 -4.271768149e-01 -4.271768149e-01 4.66 -4.135969567e-01 -4.135969567e-01 4.68 -4.003574979e-01 -4.003574979e-01 4.70 -3.874374306e-01 -3.874374306e-01 4.72 -3.748173804e-01 -3.748173804e-01 4.74 -3.624798516e-01 -3.624798516e-01 4.76 -3.504095309e-01 -3.504095309e-01 4.78 -3.385936419e-01 -3.385936419e-01 4.80 -3.270191760e-01 -3.270191760e-01 4.82 -3.156863960e-01 -3.156863960e-01 4.84 -3.045885522e-01 -3.045885522e-01 4.86 -2.937264810e-01 -2.937264810e-01 4.88 -2.831048180e-01 -2.831048180e-01 4.90 -2.727317696e-01 -2.727317696e-01 4.92 -2.626186073e-01 -2.626186073e-01 4.94 -2.527788769e-01 -2.527788769e-01 4.96 -2.432273572e-01 -2.432273572e-01 4.98 -2.339788447e-01 -2.339788447e-01 5.00 -2.250468771e-01 -2.250468771e-01 5.02 -2.164425300e-01 -2.164425300e-01 5.04 -2.081734119e-01 -2.081734119e-01 5.06 -2.002429627e-01 -2.002429627e-01 5.08 -1.926499832e-01 -1.926499832e-01 5.10 -1.853888298e-01 -1.853888298e-01 5.12 -1.784499647e-01 -1.784499647e-01 5.14 -1.718202534e-01 -1.718202534e-01 5.16 -1.654837433e-01 -1.654837433e-01 5.18 -1.594225140e-01 -1.594225140e-01 5.20 -1.536175208e-01 -1.536175208e-01 5.22 -1.480493743e-01 -1.480493743e-01 5.24 -1.426990210e-01 -1.426990210e-01 5.26 -1.375483119e-01 -1.375483119e-01 5.28 -1.325804558e-01 -1.325804558e-01 5.30 -1.277803662e-01 -1.277803662e-01 5.32 -1.231349107e-01 -1.231349107e-01 5.34 -1.186330720e-01 -1.186330720e-01 5.36 -1.142660270e-01 -1.142660270e-01 5.38 -1.100271481e-01 -1.100271481e-01 5.40 -1.059119226e-01 -1.059119226e-01 5.42 -1.019177916e-01 -1.019177916e-01 5.44 -9.804391031e-02 -9.804391031e-02 5.46 -9.429083435e-02 -9.429083435e-02 5.48 -9.066014397e-02 -9.066014397e-02 5.50 -8.715402709e-02 -8.715402709e-02 5.52 -8.377485314e-02 -8.377485314e-02 5.54 -8.052476029e-02 -8.052476029e-02 5.56 -7.740528953e-02 -7.740528953e-02 5.58 -7.441709162e-02 -7.441709162e-02 5.60 -7.155963415e-02 -7.155963415e-02 5.62 -6.883117824e-02 -6.883117824e-02 5.64 -6.622899761e-02 -6.622899761e-02 5.66 -6.374919574e-02 -6.374919574e-02 5.68 -6.138684504e-02 -6.138684504e-02 5.70 -5.913617395e-02 -5.913617395e-02 5.72 -5.699077290e-02 -5.699077290e-02 5.74 -5.494380021e-02 -5.494380021e-02 5.76 -5.298817317e-02 -5.298817317e-02 5.78 -5.111673484e-02 -5.111673484e-02 5.80 -4.932239159e-02 -4.932239159e-02 5.82 -4.759822033e-02 -4.759822033e-02 5.84 -4.593754729e-02 -4.593754729e-02 5.86 -4.433400197e-02 -4.433400197e-02 5.88 -4.278155089e-02 -4.278155089e-02 5.90 -4.127451622e-02 -4.127451622e-02 5.92 -3.980758412e-02 -3.980758412e-02 5.94 -3.837580717e-02 -3.837580717e-02 5.96 -3.697460489e-02 -3.697460489e-02 5.98 -3.559976548e-02 -3.559976548e-02 6.00 -3.424745130e-02 -3.424745130e-02