# 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 = AgCo2Ta # 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 2.282159772e+02 2.282159772e+02 1.30 2.104393937e+02 2.104393937e+02 1.32 1.940328267e+02 1.940328267e+02 1.34 1.788820268e+02 1.788820268e+02 1.36 1.648847644e+02 1.648847644e+02 1.38 1.519494779e+02 1.519494779e+02 1.40 1.399937529e+02 1.399937529e+02 1.42 1.289428414e+02 1.289428414e+02 1.44 1.187280314e+02 1.187280314e+02 1.46 1.092851439e+02 1.092851439e+02 1.48 1.005535914e+02 1.005535914e+02 1.50 9.247604136e+01 9.247604136e+01 1.52 8.499855647e+01 8.499855647e+01 1.54 7.807115270e+01 7.807115270e+01 1.56 7.164852745e+01 7.164852745e+01 1.58 6.569045373e+01 6.569045373e+01 1.60 6.016150903e+01 6.016150903e+01 1.62 5.503027040e+01 5.503027040e+01 1.64 5.026836775e+01 5.026836775e+01 1.66 4.584972929e+01 4.584972929e+01 1.68 4.175015393e+01 4.175015393e+01 1.70 3.794783430e+01 3.794783430e+01 1.72 3.442630784e+01 3.442630784e+01 1.74 3.116640191e+01 3.116640191e+01 1.76 2.814958767e+01 2.814958767e+01 1.78 2.536069598e+01 2.536069598e+01 1.80 2.278448995e+01 2.278448995e+01 1.82 2.040607715e+01 2.040607715e+01 1.84 1.821184311e+01 1.821184311e+01 1.86 1.618927563e+01 1.618927563e+01 1.88 1.432673634e+01 1.432673634e+01 1.90 1.261322477e+01 1.261322477e+01 1.92 1.103817516e+01 1.103817516e+01 1.94 9.591326359e+00 9.591326359e+00 1.96 8.262692438e+00 8.262692438e+00 1.98 7.042633411e+00 7.042633411e+00 2.00 5.921999665e+00 5.921999665e+00 2.02 4.892307085e+00 4.892307085e+00 2.04 3.945886677e+00 3.945886677e+00 2.06 3.075956744e+00 3.075956744e+00 2.08 2.276597256e+00 2.276597256e+00 2.10 1.542645271e+00 1.542645271e+00 2.12 8.695522423e-01 8.695522423e-01 2.14 2.532438609e-01 2.532438609e-01 2.16 -3.099912886e-01 -3.099912886e-01 2.18 -8.235768521e-01 -8.235768521e-01 2.20 -1.290696215e+00 -1.290696215e+00 2.22 -1.714328140e+00 -1.714328140e+00 2.24 -2.097283032e+00 -2.097283032e+00 2.26 -2.442243483e+00 -2.442243483e+00 2.28 -2.751804989e+00 -2.751804989e+00 2.30 -3.028509021e+00 -3.028509021e+00 2.32 -3.274860701e+00 -3.274860701e+00 2.34 -3.493213994e+00 -3.493213994e+00 2.36 -3.685990608e+00 -3.685990608e+00 2.38 -3.855740904e+00 -3.855740904e+00 2.40 -4.004814975e+00 -4.004814975e+00 2.42 -4.135324221e+00 -4.135324221e+00 2.44 -4.249125185e+00 -4.249125185e+00 2.46 -4.347638088e+00 -4.347638088e+00 2.48 -4.431760753e+00 -4.431760753e+00 2.50 -4.502367049e+00 -4.502367049e+00 2.52 -4.560351560e+00 -4.560351560e+00 2.54 -4.606617714e+00 -4.606617714e+00 2.56 -4.642074861e+00 -4.642074861e+00 2.58 -4.667636669e+00 -4.667636669e+00 2.60 -4.684211790e+00 -4.684211790e+00 2.62 -4.692701182e+00 -4.692701182e+00 2.64 -4.693997298e+00 -4.693997298e+00 2.66 -4.688769239e+00 -4.688769239e+00 2.68 -4.677582102e+00 -4.677582102e+00 2.70 -4.660915291e+00 -4.660915291e+00 2.72 -4.639173786e+00 -4.639173786e+00 2.74 -4.612706463e+00 -4.612706463e+00 2.76 -4.581824480e+00 -4.581824480e+00 2.78 -4.546815629e+00 -4.546815629e+00 2.80 -4.507933035e+00 -4.507933035e+00 2.82 -4.465337008e+00 -4.465337008e+00 2.84 -4.419177461e+00 -4.419177461e+00 2.86 -4.369620214e+00 -4.369620214e+00 2.88 -4.316842856e+00 -4.316842856e+00 2.90 -4.261042814e+00 -4.261042814e+00 2.92 -4.202518290e+00 -4.202518290e+00 2.94 -4.141393376e+00 -4.141393376e+00 2.96 -4.077765074e+00 -4.077765074e+00 2.98 -4.011759394e+00 -4.011759394e+00 3.00 -3.943528770e+00 -3.943528770e+00 3.02 -3.873248084e+00 -3.873248084e+00 3.04 -3.801108139e+00 -3.801108139e+00 3.06 -3.727310192e+00 -3.727310192e+00 3.08 -3.652062313e+00 -3.652062313e+00 3.10 -3.575557605e+00 -3.575557605e+00 3.12 -3.497964546e+00 -3.497964546e+00 3.14 -3.419424843e+00 -3.419424843e+00 3.16 -3.340056776e+00 -3.340056776e+00 3.18 -3.259963075e+00 -3.259963075e+00 3.20 -3.179241516e+00 -3.179241516e+00 3.22 -3.097996114e+00 -3.097996114e+00 3.24 -3.016347063e+00 -3.016347063e+00 3.26 -2.934437926e+00 -2.934437926e+00 3.28 -2.852439062e+00 -2.852439062e+00 3.30 -2.770546784e+00 -2.770546784e+00 3.32 -2.688978267e+00 -2.688978267e+00 3.34 -2.607962798e+00 -2.607962798e+00 3.36 -2.527730462e+00 -2.527730462e+00 3.38 -2.448499767e+00 -2.448499767e+00 3.40 -2.370465784e+00 -2.370465784e+00 3.42 -2.293790268e+00 -2.293790268e+00 3.44 -2.218594797e+00 -2.218594797e+00 3.46 -2.144957449e+00 -2.144957449e+00 3.48 -2.072912984e+00 -2.072912984e+00 3.50 -2.002456067e+00 -2.002456067e+00 3.52 -1.933546814e+00 -1.933546814e+00 3.54 -1.866117879e+00 -1.866117879e+00 3.56 -1.800082351e+00 -1.800082351e+00 3.58 -1.735341898e+00 -1.735341898e+00 3.60 -1.671794747e+00 -1.671794747e+00 3.62 -1.609343244e+00 -1.609343244e+00 3.64 -1.547900818e+00 -1.547900818e+00 3.66 -1.487398198e+00 -1.487398198e+00 3.68 -1.427788721e+00 -1.427788721e+00 3.70 -1.369052488e+00 -1.369052488e+00 3.72 -1.311199134e+00 -1.311199134e+00 3.74 -1.254268899e+00 -1.254268899e+00 3.76 -1.198331794e+00 -1.198331794e+00 3.78 -1.143484715e+00 -1.143484715e+00 3.80 -1.089846576e+00 -1.089846576e+00 3.82 -1.037551692e+00 -1.037551692e+00 3.84 -9.867419003e-01 -9.867419003e-01 3.86 -9.375580415e-01 -9.375580415e-01 3.88 -8.901315243e-01 -8.901315243e-01 3.90 -8.445766997e-01 -8.445766997e-01 3.92 -8.009846525e-01 -8.009846525e-01 3.94 -7.594188462e-01 -7.594188462e-01 3.96 -7.199128182e-01 -7.199128182e-01 3.98 -6.824699123e-01 -6.824699123e-01 4.00 -6.470648197e-01 -6.470648197e-01 4.02 -6.136465769e-01 -6.136465769e-01 4.04 -5.821425958e-01 -5.821425958e-01 4.06 -5.524632991e-01 -5.524632991e-01 4.08 -5.245069773e-01 -5.245069773e-01 4.10 -4.981645593e-01 -4.981645593e-01 4.12 -4.733240751e-01 -4.733240751e-01 4.14 -4.498746413e-01 -4.498746413e-01 4.16 -4.277098972e-01 -4.277098972e-01 4.18 -4.067308086e-01 -4.067308086e-01 4.20 -3.868477965e-01 -3.868477965e-01 4.22 -3.679821420e-01 -3.679821420e-01 4.24 -3.500666224e-01 -3.500666224e-01 4.26 -3.330453532e-01 -3.330453532e-01 4.28 -3.168728557e-01 -3.168728557e-01 4.30 -3.015124353e-01 -3.015124353e-01 4.32 -2.869340397e-01 -2.869340397e-01 4.34 -2.731118403e-01 -2.731118403e-01 4.36 -2.600218191e-01 -2.600218191e-01 4.38 -2.476396373e-01 -2.476396373e-01 4.40 -2.359390001e-01 -2.359390001e-01 4.42 -2.248906343e-01 -2.248906343e-01 4.44 -2.144618916e-01 -2.144618916e-01 4.46 -2.046168941e-01 -2.046168941e-01 4.48 -1.953170833e-01 -1.953170833e-01 4.50 -1.865220114e-01 -1.865220114e-01 4.52 -1.781902248e-01 -1.781902248e-01 4.54 -1.702801230e-01 -1.702801230e-01 4.56 -1.627507133e-01 -1.627507133e-01 4.58 -1.555622249e-01 -1.555622249e-01 4.60 -1.486765736e-01 -1.486765736e-01 4.62 -1.420576947e-01 -1.420576947e-01 4.64 -1.356717736e-01 -1.356717736e-01 4.66 -1.294874104e-01 -1.294874104e-01 4.68 -1.234757567e-01 -1.234757567e-01 4.70 -1.176106570e-01 -1.176106570e-01 4.72 -1.118688241e-01 -1.118688241e-01 4.74 -1.062300651e-01 -1.062300651e-01 4.76 -1.006775675e-01 -1.006775675e-01 4.78 -9.519823841e-02 -9.519823841e-02 4.80 -8.978307668e-02 -8.978307668e-02 4.82 -8.442754444e-02 -8.442754444e-02 4.84 -7.913187521e-02 -7.913187521e-02 4.86 -7.390126877e-02 -7.390126877e-02 4.88 -6.874588985e-02 -6.874588985e-02 4.90 -6.368060865e-02 -6.368060865e-02 4.92 -5.872444047e-02 -5.872444047e-02 4.94 -5.389966404e-02 -5.389966404e-02 4.96 -4.923064685e-02 -4.923064685e-02 4.98 -4.474245558e-02 -4.474245558e-02 5.00 -4.045935996e-02 -4.045935996e-02 5.02 -3.640337186e-02 -3.640337186e-02 5.04 -3.259296520e-02 -3.259296520e-02 5.06 -2.904209398e-02 -2.904209398e-02 5.08 -2.575927102e-02 -2.575927102e-02 5.10 -2.274763845e-02 -2.274763845e-02 5.12 -2.000595649e-02 -2.000595649e-02 5.14 -1.752816841e-02 -1.752816841e-02 5.16 -1.530411080e-02 -1.530411080e-02 5.18 -1.332037912e-02 -1.332037912e-02 5.20 -1.156122371e-02 -1.156122371e-02 5.22 -1.000940332e-02 -1.000940332e-02 5.24 -8.646945971e-03 -8.646945971e-03 5.26 -7.455788128e-03 -7.455788128e-03 5.28 -6.418281671e-03 -6.418281671e-03 5.30 -5.517571748e-03 -5.517571748e-03 5.32 -4.737857518e-03 -4.737857518e-03 5.34 -4.064552763e-03 -4.064552763e-03 5.36 -3.484365119e-03 -3.484365119e-03 5.38 -2.985312277e-03 -2.985312277e-03 5.40 -2.556691790e-03 -2.556691790e-03 5.42 -2.189018706e-03 -2.189018706e-03 5.44 -1.873942636e-03 -1.873942636e-03 5.46 -1.604153367e-03 -1.604153367e-03 5.48 -1.373281840e-03 -1.373281840e-03 5.50 -1.175801436e-03 -1.175801436e-03 5.52 -1.006932954e-03 -1.006932954e-03 5.54 -8.625554256e-04 -8.625554256e-04 5.56 -7.391240308e-04 -7.391240308e-04 5.58 -6.335956573e-04 -6.335956573e-04 5.60 -5.433622118e-04 -5.433622118e-04 5.62 -4.661914432e-04 -4.661914432e-04 5.64 -4.001748473e-04 -4.001748473e-04 5.66 -3.436820991e-04 -3.436820991e-04 5.68 -2.953214107e-04 -2.953214107e-04 5.70 -2.539051931e-04 -2.539051931e-04 5.72 -2.184204237e-04 -2.184204237e-04 5.74 -1.880031513e-04 -1.880031513e-04 5.76 -1.619166148e-04 -1.619166148e-04 5.78 -1.395325042e-04 -1.395325042e-04 5.80 -1.203149372e-04 -1.203149372e-04 5.82 -1.038067790e-04 -1.038067790e-04 5.84 -8.961797269e-05 -8.961797269e-05 5.86 -7.741559570e-05 -7.741559570e-05 5.88 -6.691539028e-05 -6.691539028e-05 5.90 -5.787455448e-05 -5.787455448e-05 5.92 -5.008560713e-05 -5.008560713e-05 5.94 -4.337116812e-05 -4.337116812e-05 5.96 -3.757951767e-05 -3.757951767e-05 5.98 -3.258081840e-05 -3.258081840e-05 6.00 -2.826390076e-05 -2.826390076e-05