# 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 = AgTa2Ti # 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 3.552165693e+02 3.552165693e+02 1.30 3.295285755e+02 3.295285755e+02 1.32 3.057394351e+02 3.057394351e+02 1.34 2.836950141e+02 2.836950141e+02 1.36 2.632552233e+02 2.632552233e+02 1.38 2.442931685e+02 2.442931685e+02 1.40 2.266940133e+02 2.266940133e+02 1.42 2.103536612e+02 2.103536612e+02 1.44 1.951772648e+02 1.951772648e+02 1.46 1.810776579e+02 1.810776579e+02 1.48 1.679739134e+02 1.679739134e+02 1.50 1.557902758e+02 1.557902758e+02 1.52 1.444556442e+02 1.444556442e+02 1.54 1.339036674e+02 1.339036674e+02 1.56 1.240732959e+02 1.240732959e+02 1.58 1.149093415e+02 1.149093415e+02 1.60 1.063625860e+02 1.063625860e+02 1.62 9.838931506e+01 9.838931506e+01 1.64 9.095047598e+01 9.095047598e+01 1.66 8.401072934e+01 8.401072934e+01 1.68 7.753761347e+01 7.753761347e+01 1.70 7.150094319e+01 7.150094319e+01 1.72 6.587243983e+01 6.587243983e+01 1.74 6.062549934e+01 6.062549934e+01 1.76 5.573501622e+01 5.573501622e+01 1.78 5.117725723e+01 5.117725723e+01 1.80 4.692981506e+01 4.692981506e+01 1.82 4.297163552e+01 4.297163552e+01 1.84 3.928305962e+01 3.928305962e+01 1.86 3.584582035e+01 3.584582035e+01 1.88 3.264525966e+01 3.264525966e+01 1.90 2.967260994e+01 2.967260994e+01 1.92 2.691299005e+01 2.691299005e+01 1.94 2.435197227e+01 2.435197227e+01 1.96 2.197671448e+01 2.197671448e+01 1.98 1.977450450e+01 1.977450450e+01 2.00 1.773262162e+01 1.773262162e+01 2.02 1.583902127e+01 1.583902127e+01 2.04 1.408244964e+01 1.408244964e+01 2.06 1.245256780e+01 1.245256780e+01 2.08 1.094003813e+01 1.094003813e+01 2.10 9.536536096e+00 9.536536096e+00 2.12 8.234677719e+00 8.234677719e+00 2.14 7.027884852e+00 7.027884852e+00 2.16 5.910227287e+00 5.910227287e+00 2.18 4.876275736e+00 4.876275736e+00 2.20 3.920982179e+00 3.920982179e+00 2.22 3.039587342e+00 3.039587342e+00 2.24 2.227549101e+00 2.227549101e+00 2.26 1.480486605e+00 1.480486605e+00 2.28 7.941387249e-01 7.941387249e-01 2.30 1.643388337e-01 1.643388337e-01 2.32 -4.129916887e-01 -4.129916887e-01 2.34 -9.418274040e-01 -9.418274040e-01 2.36 -1.426001604e+00 -1.426001604e+00 2.38 -1.869154398e+00 -1.869154398e+00 2.40 -2.274678790e+00 -2.274678790e+00 2.42 -2.645678133e+00 -2.645678133e+00 2.44 -2.984944271e+00 -2.984944271e+00 2.46 -3.294959787e+00 -3.294959787e+00 2.48 -3.577921094e+00 -3.577921094e+00 2.50 -3.835775149e+00 -3.835775149e+00 2.52 -4.070261272e+00 -4.070261272e+00 2.54 -4.282951202e+00 -4.282951202e+00 2.56 -4.475283343e+00 -4.475283343e+00 2.58 -4.648465671e+00 -4.648465671e+00 2.60 -4.803699039e+00 -4.803699039e+00 2.62 -4.942347743e+00 -4.942347743e+00 2.64 -5.065667628e+00 -5.065667628e+00 2.66 -5.174810526e+00 -5.174810526e+00 2.68 -5.270827220e+00 -5.270827220e+00 2.70 -5.354669893e+00 -5.354669893e+00 2.72 -5.427196539e+00 -5.427196539e+00 2.74 -5.489142118e+00 -5.489142118e+00 2.76 -5.540880317e+00 -5.540880317e+00 2.78 -5.582646031e+00 -5.582646031e+00 2.80 -5.614700044e+00 -5.614700044e+00 2.82 -5.637322243e+00 -5.637322243e+00 2.84 -5.650806878e+00 -5.650806878e+00 2.86 -5.655460120e+00 -5.655460120e+00 2.88 -5.651631341e+00 -5.651631341e+00 2.90 -5.639654242e+00 -5.639654242e+00 2.92 -5.619829220e+00 -5.619829220e+00 2.94 -5.592476807e+00 -5.592476807e+00 2.96 -5.557936324e+00 -5.557936324e+00 2.98 -5.516564351e+00 -5.516564351e+00 3.00 -5.468732358e+00 -5.468732358e+00 3.02 -5.414822436e+00 -5.414822436e+00 3.04 -5.355220268e+00 -5.355220268e+00 3.06 -5.290291569e+00 -5.290291569e+00 3.08 -5.220325416e+00 -5.220325416e+00 3.10 -5.145582656e+00 -5.145582656e+00 3.12 -5.066311759e+00 -5.066311759e+00 3.14 -4.982750418e+00 -4.982750418e+00 3.16 -4.895133626e+00 -4.895133626e+00 3.18 -4.803707385e+00 -4.803707385e+00 3.20 -4.708744305e+00 -4.708744305e+00 3.22 -4.610558376e+00 -4.610558376e+00 3.24 -4.509528168e+00 -4.509528168e+00 3.26 -4.406157904e+00 -4.406157904e+00 3.28 -4.300874152e+00 -4.300874152e+00 3.30 -4.194132072e+00 -4.194132072e+00 3.32 -4.086429183e+00 -4.086429183e+00 3.34 -3.978280608e+00 -3.978280608e+00 3.36 -3.870191578e+00 -3.870191578e+00 3.38 -3.762630205e+00 -3.762630205e+00 3.40 -3.656003557e+00 -3.656003557e+00 3.42 -3.550640333e+00 -3.550640333e+00 3.44 -3.446785339e+00 -3.446785339e+00 3.46 -3.344593061e+00 -3.344593061e+00 3.48 -3.244128519e+00 -3.244128519e+00 3.50 -3.145377241e+00 -3.145377241e+00 3.52 -3.048258916e+00 -3.048258916e+00 3.54 -2.952642775e+00 -2.952642775e+00 3.56 -2.858363165e+00 -2.858363165e+00 3.58 -2.765234301e+00 -2.765234301e+00 3.60 -2.673063830e+00 -2.673063830e+00 3.62 -2.581665310e+00 -2.581665310e+00 3.64 -2.490869930e+00 -2.490869930e+00 3.66 -2.400537765e+00 -2.400537765e+00 3.68 -2.310568520e+00 -2.310568520e+00 3.70 -2.220911429e+00 -2.220911429e+00 3.72 -2.131573582e+00 -2.131573582e+00 3.74 -2.042625836e+00 -2.042625836e+00 3.76 -1.954205408e+00 -1.954205408e+00 3.78 -1.866514429e+00 -1.866514429e+00 3.80 -1.779814029e+00 -1.779814029e+00 3.82 -1.694413960e+00 -1.694413960e+00 3.84 -1.610658269e+00 -1.610658269e+00 3.86 -1.528908015e+00 -1.528908015e+00 3.88 -1.449522453e+00 -1.449522453e+00 3.90 -1.372840342e+00 -1.372840342e+00 3.92 -1.299162985e+00 -1.299162985e+00 3.94 -1.228740571e+00 -1.228740571e+00 3.96 -1.161762449e+00 -1.161762449e+00 3.98 -1.098352255e+00 -1.098352255e+00 4.00 -1.038567423e+00 -1.038567423e+00 4.02 -9.824026907e-01 -9.824026907e-01 4.04 -9.297966825e-01 -9.297966825e-01 4.06 -8.806405881e-01 -8.806405881e-01 4.08 -8.347879116e-01 -8.347879116e-01 4.10 -7.920643369e-01 -7.920643369e-01 4.12 -7.522775456e-01 -7.522775456e-01 4.14 -7.152251453e-01 -7.152251453e-01 4.16 -6.807023109e-01 -6.807023109e-01 4.18 -6.485075620e-01 -6.485075620e-01 4.20 -6.184472920e-01 -6.184472920e-01 4.22 -5.903390314e-01 -5.903390314e-01 4.24 -5.640135789e-01 -5.640135789e-01 4.26 -5.393161518e-01 -5.393161518e-01 4.28 -5.161067114e-01 -5.161067114e-01 4.30 -4.942596203e-01 -4.942596203e-01 4.32 -4.736627793e-01 -4.736627793e-01 4.34 -4.542163942e-01 -4.542163942e-01 4.36 -4.358315164e-01 -4.358315164e-01 4.38 -4.184284944e-01 -4.184284944e-01 4.40 -4.019354621e-01 -4.019354621e-01 4.42 -3.862869607e-01 -3.862869607e-01 4.44 -3.714227667e-01 -3.714227667e-01 4.46 -3.572869601e-01 -3.572869601e-01 4.48 -3.438272313e-01 -3.438272313e-01 4.50 -3.309944056e-01 -3.309944056e-01 4.52 -3.187421414e-01 -3.187421414e-01 4.54 -3.070267432e-01 -3.070267432e-01 4.56 -2.958068224e-01 -2.958068224e-01 4.58 -2.850438371e-01 -2.850438371e-01 4.60 -2.747017685e-01 -2.747017685e-01 4.62 -2.647468962e-01 -2.647468962e-01 4.64 -2.551477849e-01 -2.551477849e-01 4.66 -2.458752505e-01 -2.458752505e-01 4.68 -2.369023172e-01 -2.369023172e-01 4.70 -2.282041794e-01 -2.282041794e-01 4.72 -2.197581801e-01 -2.197581801e-01 4.74 -2.115438162e-01 -2.115438162e-01 4.76 -2.035427758e-01 -2.035427758e-01 4.78 -1.957390125e-01 -1.957390125e-01 4.80 -1.881188087e-01 -1.881188087e-01 4.82 -1.806710860e-01 -1.806710860e-01 4.84 -1.733872691e-01 -1.733872691e-01 4.86 -1.662616160e-01 -1.662616160e-01 4.88 -1.592912664e-01 -1.592912664e-01 4.90 -1.524762789e-01 -1.524762789e-01 4.92 -1.458195717e-01 -1.458195717e-01 4.94 -1.393267420e-01 -1.393267420e-01 4.96 -1.330057399e-01 -1.330057399e-01 4.98 -1.268663910e-01 -1.268663910e-01 5.00 -1.209197777e-01 -1.209197777e-01 5.02 -1.151775071e-01 -1.151775071e-01 5.04 -1.096509141e-01 -1.096509141e-01 5.06 -1.043502612e-01 -1.043502612e-01 5.08 -9.928396026e-02 -9.928396026e-02 5.10 -9.445789012e-02 -9.445789012e-02 5.12 -8.987535490e-02 -8.987535490e-02 5.14 -8.553660065e-02 -8.553660065e-02 5.16 -8.143877114e-02 -8.143877114e-02 5.18 -7.757609241e-02 -7.757609241e-02 5.20 -7.394020865e-02 -7.394020865e-02 5.22 -7.052062033e-02 -7.052062033e-02 5.24 -6.730517355e-02 -6.730517355e-02 5.26 -6.428055530e-02 -6.428055530e-02 5.28 -6.143275825e-02 -6.143275825e-02 5.30 -5.874749074e-02 -5.874749074e-02 5.32 -5.621051835e-02 -5.621051835e-02 5.34 -5.380793327e-02 -5.380793327e-02 5.36 -5.152635526e-02 -5.152635526e-02 5.38 -4.935306950e-02 -4.935306950e-02 5.40 -4.727611629e-02 -4.727611629e-02 5.42 -4.528434180e-02 -4.528434180e-02 5.44 -4.336742128e-02 -4.336742128e-02 5.46 -4.151586542e-02 -4.151586542e-02 5.48 -3.972101883e-02 -3.972101883e-02 5.50 -3.797505815e-02 -3.797505815e-02 5.52 -3.627099520e-02 -3.627099520e-02 5.54 -3.460268896e-02 -3.460268896e-02 5.56 -3.296486905e-02 -3.296486905e-02 5.58 -3.135317062e-02 -3.135317062e-02 5.60 -2.976417618e-02 -2.976417618e-02 5.62 -2.819546308e-02 -2.819546308e-02 5.64 -2.664564949e-02 -2.664564949e-02 5.66 -2.511443073e-02 -2.511443073e-02 5.68 -2.360259630e-02 -2.360259630e-02 5.70 -2.211201772e-02 -2.211201772e-02 5.72 -2.064559756e-02 -2.064559756e-02 5.74 -1.920717240e-02 -1.920717240e-02 5.76 -1.780136559e-02 -1.780136559e-02 5.78 -1.643326007e-02 -1.643326007e-02 5.80 -1.510836384e-02 -1.510836384e-02 5.82 -1.383240272e-02 -1.383240272e-02 5.84 -1.261089813e-02 -1.261089813e-02 5.86 -1.144889403e-02 -1.144889403e-02 5.88 -1.035071336e-02 -1.035071336e-02 5.90 -9.319761983e-03 -9.319761983e-03 5.92 -8.358393644e-03 -8.358393644e-03 5.94 -7.467842428e-03 -7.467842428e-03 5.96 -6.648222480e-03 -6.648222480e-03 5.98 -5.898588179e-03 -5.898588179e-03 6.00 -5.217043237e-03 -5.217043237e-03