# 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 = MgTa2W # 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 4.874694721e+02 4.874694721e+02 1.30 4.517426381e+02 4.517426381e+02 1.32 4.186938037e+02 4.186938037e+02 1.34 3.881030019e+02 3.881030019e+02 1.36 3.597706644e+02 3.597706644e+02 1.38 3.335154709e+02 3.335154709e+02 1.40 3.091729585e+02 3.091729585e+02 1.42 2.865943312e+02 2.865943312e+02 1.44 2.656446358e+02 2.656446358e+02 1.46 2.462002497e+02 2.462002497e+02 1.48 2.281463960e+02 2.281463960e+02 1.50 2.113755354e+02 2.113755354e+02 1.52 1.957870672e+02 1.957870672e+02 1.54 1.812881275e+02 1.812881275e+02 1.56 1.677947412e+02 1.677947412e+02 1.58 1.552324046e+02 1.552324046e+02 1.60 1.435355620e+02 1.435355620e+02 1.62 1.326461074e+02 1.326461074e+02 1.64 1.225115195e+02 1.225115195e+02 1.66 1.130832210e+02 1.130832210e+02 1.68 1.043154716e+02 1.043154716e+02 1.70 9.616478659e+01 9.616478659e+01 1.72 8.858971305e+01 8.858971305e+01 1.74 8.155079690e+01 8.155079690e+01 1.76 7.501063832e+01 7.501063832e+01 1.78 6.893399101e+01 6.893399101e+01 1.80 6.328787670e+01 6.328787670e+01 1.82 5.804168372e+01 5.804168372e+01 1.84 5.316720522e+01 5.316720522e+01 1.86 4.863857612e+01 4.863857612e+01 1.88 4.443207186e+01 4.443207186e+01 1.90 4.052593189e+01 4.052593189e+01 1.92 3.690651593e+01 3.690651593e+01 1.94 3.355774244e+01 3.355774244e+01 1.96 3.045989685e+01 3.045989685e+01 1.98 2.759380504e+01 2.759380504e+01 2.00 2.494102266e+01 2.494102266e+01 2.02 2.248427700e+01 2.248427700e+01 2.04 2.020755414e+01 2.020755414e+01 2.06 1.809628682e+01 1.809628682e+01 2.08 1.613742166e+01 1.613742166e+01 2.10 1.431935312e+01 1.431935312e+01 2.12 1.263176668e+01 1.263176668e+01 2.14 1.106545434e+01 1.106545434e+01 2.16 9.612147403e+00 9.612147403e+00 2.18 8.264379912e+00 8.264379912e+00 2.20 7.015375378e+00 7.015375378e+00 2.22 5.858939930e+00 5.858939930e+00 2.24 4.789355556e+00 4.789355556e+00 2.26 3.801273981e+00 3.801273981e+00 2.28 2.889617960e+00 2.889617960e+00 2.30 2.049502649e+00 2.049502649e+00 2.32 1.276181817e+00 1.276181817e+00 2.34 5.650299413e-01 5.650299413e-01 2.36 -8.844349500e-02 -8.844349500e-02 2.38 -6.885524444e-01 -6.885524444e-01 2.40 -1.239380152e+00 -1.239380152e+00 2.42 -1.744728819e+00 -1.744728819e+00 2.44 -2.208085121e+00 -2.208085121e+00 2.46 -2.632609552e+00 -2.632609552e+00 2.48 -3.021147509e+00 -3.021147509e+00 2.50 -3.376256808e+00 -3.376256808e+00 2.52 -3.700243784e+00 -3.700243784e+00 2.54 -3.995200988e+00 -3.995200988e+00 2.56 -4.263041585e+00 -4.263041585e+00 2.58 -4.505528025e+00 -4.505528025e+00 2.60 -4.724275551e+00 -4.724275551e+00 2.62 -4.920673455e+00 -4.920673455e+00 2.64 -5.096088709e+00 -5.096088709e+00 2.66 -5.252079190e+00 -5.252079190e+00 2.68 -5.390091329e+00 -5.390091329e+00 2.70 -5.511457220e+00 -5.511457220e+00 2.72 -5.617402741e+00 -5.617402741e+00 2.74 -5.709053908e+00 -5.709053908e+00 2.76 -5.787442359e+00 -5.787442359e+00 2.78 -5.853500157e+00 -5.853500157e+00 2.80 -5.907766867e+00 -5.907766867e+00 2.82 -5.950411314e+00 -5.950411314e+00 2.84 -5.981635784e+00 -5.981635784e+00 2.86 -6.001690168e+00 -6.001690168e+00 2.88 -6.010863843e+00 -6.010863843e+00 2.90 -6.009479233e+00 -6.009479233e+00 2.92 -5.997885816e+00 -5.997885816e+00 2.94 -5.976453579e+00 -5.976453579e+00 2.96 -5.945565325e+00 -5.945565325e+00 2.98 -5.905607758e+00 -5.905607758e+00 3.00 -5.856961782e+00 -5.856961782e+00 3.02 -5.799992873e+00 -5.799992873e+00 3.04 -5.735042518e+00 -5.735042518e+00 3.06 -5.662422951e+00 -5.662422951e+00 3.08 -5.582413503e+00 -5.582413503e+00 3.10 -5.495263056e+00 -5.495263056e+00 3.12 -5.401195674e+00 -5.401195674e+00 3.14 -5.300421689e+00 -5.300421689e+00 3.16 -5.193150275e+00 -5.193150275e+00 3.18 -5.079606985e+00 -5.079606985e+00 3.20 -4.960051586e+00 -4.960051586e+00 3.22 -4.834796191e+00 -4.834796191e+00 3.24 -4.704221704e+00 -4.704221704e+00 3.26 -4.568790735e+00 -4.568790735e+00 3.28 -4.429055119e+00 -4.429055119e+00 3.30 -4.285656577e+00 -4.285656577e+00 3.32 -4.139319726e+00 -4.139319726e+00 3.34 -3.990837621e+00 -3.990837621e+00 3.36 -3.841051015e+00 -3.841051015e+00 3.38 -3.690823294e+00 -3.690823294e+00 3.40 -3.541013342e+00 -3.541013342e+00 3.42 -3.392448715e+00 -3.392448715e+00 3.44 -3.245900424e+00 -3.245900424e+00 3.46 -3.102061318e+00 -3.102061318e+00 3.48 -2.961528394e+00 -2.961528394e+00 3.50 -2.824789889e+00 -2.824789889e+00 3.52 -2.692217572e+00 -2.692217572e+00 3.54 -2.564080783e+00 -2.564080783e+00 3.56 -2.440520284e+00 -2.440520284e+00 3.58 -2.321535619e+00 -2.321535619e+00 3.60 -2.207036413e+00 -2.207036413e+00 3.62 -2.096860226e+00 -2.096860226e+00 3.64 -1.990793332e+00 -1.990793332e+00 3.66 -1.888582161e+00 -1.888582161e+00 3.68 -1.789877533e+00 -1.789877533e+00 3.70 -1.694305312e+00 -1.694305312e+00 3.72 -1.601533533e+00 -1.601533533e+00 3.74 -1.511291120e+00 -1.511291120e+00 3.76 -1.423382376e+00 -1.423382376e+00 3.78 -1.337696380e+00 -1.337696380e+00 3.80 -1.254210377e+00 -1.254210377e+00 3.82 -1.172986671e+00 -1.172986671e+00 3.84 -1.094163023e+00 -1.094163023e+00 3.86 -1.017937220e+00 -1.017937220e+00 3.88 -9.445471391e-01 -9.445471391e-01 3.90 -8.742481961e-01 -8.742481961e-01 3.92 -8.072902725e-01 -8.072902725e-01 3.94 -7.438971587e-01 -7.438971587e-01 3.96 -6.842483033e-01 -6.842483033e-01 3.98 -6.284671036e-01 -6.284671036e-01 4.00 -5.766140185e-01 -5.766140185e-01 4.02 -5.286852961e-01 -5.286852961e-01 4.04 -4.846163967e-01 -4.846163967e-01 4.06 -4.442889857e-01 -4.442889857e-01 4.08 -4.075402235e-01 -4.075402235e-01 4.10 -3.741727481e-01 -3.741727481e-01 4.12 -3.439667399e-01 -3.439667399e-01 4.14 -3.166870398e-01 -3.166870398e-01 4.16 -2.920934826e-01 -2.920934826e-01 4.18 -2.699474375e-01 -2.699474375e-01 4.20 -2.500173060e-01 -2.500173060e-01 4.22 -2.320825610e-01 -2.320825610e-01 4.24 -2.159364860e-01 -2.159364860e-01 4.26 -2.013878153e-01 -2.013878153e-01 4.28 -1.882614910e-01 -1.882614910e-01 4.30 -1.763987370e-01 -1.763987370e-01 4.32 -1.656566338e-01 -1.656566338e-01 4.34 -1.559073484e-01 -1.559073484e-01 4.36 -1.470371493e-01 -1.470371493e-01 4.38 -1.389452656e-01 -1.389452656e-01 4.40 -1.315427391e-01 -1.315427391e-01 4.42 -1.247512677e-01 -1.247512677e-01 4.44 -1.185019085e-01 -1.185019085e-01 4.46 -1.127335034e-01 -1.127335034e-01 4.48 -1.073938857e-01 -1.073938857e-01 4.50 -1.024373325e-01 -1.024373325e-01 4.52 -9.782361291e-02 -9.782361291e-02 4.54 -9.351739926e-02 -9.351739926e-02 4.56 -8.948770205e-02 -8.948770205e-02 4.58 -8.570734468e-02 -8.570734468e-02 4.60 -8.215248664e-02 -8.215248664e-02 4.62 -7.880219647e-02 -7.880219647e-02 4.64 -7.563807396e-02 -7.563807396e-02 4.66 -7.264391802e-02 -7.264391802e-02 4.68 -6.980543642e-02 -6.980543642e-02 4.70 -6.710999309e-02 -6.710999309e-02 4.72 -6.454638912e-02 -6.454638912e-02 4.74 -6.210467164e-02 -6.210467164e-02 4.76 -5.977596969e-02 -5.977596969e-02 4.78 -5.755235228e-02 -5.755235228e-02 4.80 -5.542649958e-02 -5.542649958e-02 4.82 -5.339245736e-02 -5.339245736e-02 4.84 -5.144419285e-02 -5.144419285e-02 4.86 -4.957646129e-02 -4.957646129e-02 4.88 -4.778446489e-02 -4.778446489e-02 4.90 -4.606384621e-02 -4.606384621e-02 4.92 -4.441061649e-02 -4.441061649e-02 4.94 -4.282110207e-02 -4.282110207e-02 4.96 -4.129190628e-02 -4.129190628e-02 4.98 -3.981987744e-02 -3.981987744e-02 5.00 -3.840207991e-02 -3.840207991e-02 5.02 -3.703576964e-02 -3.703576964e-02 5.04 -3.571837322e-02 -3.571837322e-02 5.06 -3.444747028e-02 -3.444747028e-02 5.08 -3.322077868e-02 -3.322077868e-02 5.10 -3.203614258e-02 -3.203614258e-02 5.12 -3.089152308e-02 -3.089152308e-02 5.14 -2.978499140e-02 -2.978499140e-02 5.16 -2.871472469e-02 -2.871472469e-02 5.18 -2.767900419e-02 -2.767900419e-02 5.20 -2.667621586e-02 -2.667621586e-02 5.22 -2.570485340e-02 -2.570485340e-02 5.24 -2.476352318e-02 -2.476352318e-02 5.26 -2.385095102e-02 -2.385095102e-02 5.28 -2.296599003e-02 -2.296599003e-02 5.30 -2.210762879e-02 -2.210762879e-02 5.32 -2.127499879e-02 -2.127499879e-02 5.34 -2.046737923e-02 -2.046737923e-02 5.36 -1.968416947e-02 -1.968416947e-02 5.38 -1.892493551e-02 -1.892493551e-02 5.40 -1.818940041e-02 -1.818940041e-02 5.42 -1.747740713e-02 -1.747740713e-02 5.44 -1.678889473e-02 -1.678889473e-02 5.46 -1.612386786e-02 -1.612386786e-02 5.48 -1.548236105e-02 -1.548236105e-02 5.50 -1.486440040e-02 -1.486440040e-02 5.52 -1.426996550e-02 -1.426996550e-02 5.54 -1.369895499e-02 -1.369895499e-02 5.56 -1.315115866e-02 -1.315115866e-02 5.58 -1.262623823e-02 -1.262623823e-02 5.60 -1.212371808e-02 -1.212371808e-02 5.62 -1.164298590e-02 -1.164298590e-02 5.64 -1.118330206e-02 -1.118330206e-02 5.66 -1.074381612e-02 -1.074381612e-02 5.68 -1.032358788e-02 -1.032358788e-02 5.70 -9.921610761e-03 -9.921610761e-03 5.72 -9.536835451e-03 -9.536835451e-03 5.74 -9.168191903e-03 -9.168191903e-03 5.76 -8.814608761e-03 -8.814608761e-03 5.78 -8.475029436e-03 -8.475029436e-03 5.80 -8.148424717e-03 -8.148424717e-03 5.82 -7.833802064e-03 -7.833802064e-03 5.84 -7.530212004e-03 -7.530212004e-03 5.86 -7.236752163e-03 -7.236752163e-03 5.88 -6.952569538e-03 -6.952569538e-03 5.90 -6.676861588e-03 -6.676861588e-03 5.92 -6.408876688e-03 -6.408876688e-03 5.94 -6.147914416e-03 -6.147914416e-03 5.96 -5.893326081e-03 -5.893326081e-03 5.98 -5.644515767e-03 -5.644515767e-03 6.00 -5.400942153e-03 -5.400942153e-03