# 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 = FePb2W # 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 4.407773049e+02 4.407773049e+02 1.30 4.101949439e+02 4.101949439e+02 1.32 3.818145828e+02 3.818145828e+02 1.34 3.554615662e+02 3.554615662e+02 1.36 3.309796424e+02 3.309796424e+02 1.38 3.082279979e+02 3.082279979e+02 1.40 2.870787934e+02 2.870787934e+02 1.42 2.674147481e+02 2.674147481e+02 1.44 2.491268364e+02 2.491268364e+02 1.46 2.321126789e+02 2.321126789e+02 1.48 2.162759773e+02 2.162759773e+02 1.50 2.015267396e+02 2.015267396e+02 1.52 1.877816914e+02 1.877816914e+02 1.54 1.749644554e+02 1.749644554e+02 1.56 1.630052468e+02 1.630052468e+02 1.58 1.518402922e+02 1.518402922e+02 1.60 1.414111425e+02 1.414111425e+02 1.62 1.316641225e+02 1.316641225e+02 1.64 1.225499290e+02 1.225499290e+02 1.66 1.140234502e+02 1.140234502e+02 1.68 1.060436679e+02 1.060436679e+02 1.70 9.857350835e+01 9.857350835e+01 1.72 9.157958583e+01 9.157958583e+01 1.74 8.503203153e+01 8.503203153e+01 1.76 7.890433015e+01 7.890433015e+01 1.78 7.317200093e+01 7.317200093e+01 1.80 6.781260337e+01 6.781260337e+01 1.82 6.280890144e+01 6.280890144e+01 1.84 5.815358351e+01 5.815358351e+01 1.86 5.382658733e+01 5.382658733e+01 1.88 4.980684385e+01 4.980684385e+01 1.90 4.607356066e+01 4.607356066e+01 1.92 4.260637896e+01 4.260637896e+01 1.94 3.938565420e+01 3.938565420e+01 1.96 3.639269702e+01 3.639269702e+01 1.98 3.360995200e+01 3.360995200e+01 2.00 3.102107764e+01 3.102107764e+01 2.02 2.861095624e+01 2.861095624e+01 2.04 2.636566092e+01 2.636566092e+01 2.06 2.427240657e+01 2.427240657e+01 2.08 2.231949841e+01 2.231949841e+01 2.10 2.049626560e+01 2.049626560e+01 2.12 1.879300375e+01 1.879300375e+01 2.14 1.720090390e+01 1.720090390e+01 2.16 1.571198891e+01 1.571198891e+01 2.18 1.431905221e+01 1.431905221e+01 2.20 1.301558882e+01 1.301558882e+01 2.22 1.179572643e+01 1.179572643e+01 2.24 1.065415018e+01 1.065415018e+01 2.26 9.586028165e+00 9.586028165e+00 2.28 8.586944636e+00 8.586944636e+00 2.30 7.652835505e+00 7.652835505e+00 2.32 6.779932719e+00 6.779932719e+00 2.34 5.964808599e+00 5.964808599e+00 2.36 5.204127560e+00 5.204127560e+00 2.38 4.494684655e+00 4.494684655e+00 2.40 3.833457097e+00 3.833457097e+00 2.42 3.217585757e+00 3.217585757e+00 2.44 2.644365851e+00 2.644365851e+00 2.46 2.111246652e+00 2.111246652e+00 2.48 1.615833729e+00 1.615833729e+00 2.50 1.155999633e+00 1.155999633e+00 2.52 7.299107668e-01 7.299107668e-01 2.54 3.358144483e-01 3.358144483e-01 2.56 -2.798041059e-02 -2.798041059e-02 2.58 -3.631040091e-01 -3.631040091e-01 2.60 -6.711259940e-01 -6.711259940e-01 2.62 -9.535539821e-01 -9.535539821e-01 2.64 -1.211838439e+00 -1.211838439e+00 2.66 -1.447364821e+00 -1.447364821e+00 2.68 -1.661461102e+00 -1.661461102e+00 2.70 -1.855398845e+00 -1.855398845e+00 2.72 -2.030396931e+00 -2.030396931e+00 2.74 -2.187625969e+00 -2.187625969e+00 2.76 -2.328213025e+00 -2.328213025e+00 2.78 -2.453246026e+00 -2.453246026e+00 2.80 -2.563778141e+00 -2.563778141e+00 2.82 -2.660830128e+00 -2.660830128e+00 2.84 -2.745393799e+00 -2.745393799e+00 2.86 -2.818418362e+00 -2.818418362e+00 2.88 -2.880817193e+00 -2.880817193e+00 2.90 -2.933465294e+00 -2.933465294e+00 2.92 -2.977194279e+00 -2.977194279e+00 2.94 -3.012787520e+00 -3.012787520e+00 2.96 -3.040948518e+00 -3.040948518e+00 2.98 -3.062115161e+00 -3.062115161e+00 3.00 -3.076618234e+00 -3.076618234e+00 3.02 -3.084804007e+00 -3.084804007e+00 3.04 -3.087033787e+00 -3.087033787e+00 3.06 -3.083682321e+00 -3.083682321e+00 3.08 -3.075128526e+00 -3.075128526e+00 3.10 -3.061750299e+00 -3.061750299e+00 3.12 -3.043914764e+00 -3.043914764e+00 3.14 -3.021978163e+00 -3.021978163e+00 3.16 -2.996269854e+00 -2.996269854e+00 3.18 -2.967095564e+00 -2.967095564e+00 3.20 -2.934732163e+00 -2.934732163e+00 3.22 -2.899425456e+00 -2.899425456e+00 3.24 -2.861416717e+00 -2.861416717e+00 3.26 -2.820983008e+00 -2.820983008e+00 3.28 -2.778114225e+00 -2.778114225e+00 3.30 -2.732775260e+00 -2.732775260e+00 3.32 -2.684956540e+00 -2.684956540e+00 3.34 -2.634682710e+00 -2.634682710e+00 3.36 -2.581989334e+00 -2.581989334e+00 3.38 -2.526886128e+00 -2.526886128e+00 3.40 -2.469447761e+00 -2.469447761e+00 3.42 -2.409831368e+00 -2.409831368e+00 3.44 -2.348271368e+00 -2.348271368e+00 3.46 -2.285072971e+00 -2.285072971e+00 3.48 -2.220599449e+00 -2.220599449e+00 3.50 -2.155256000e+00 -2.155256000e+00 3.52 -2.089471041e+00 -2.089471041e+00 3.54 -2.023676534e+00 -2.023676534e+00 3.56 -1.958289122e+00 -1.958289122e+00 3.58 -1.893693744e+00 -1.893693744e+00 3.60 -1.830231035e+00 -1.830231035e+00 3.62 -1.768189221e+00 -1.768189221e+00 3.64 -1.707800604e+00 -1.707800604e+00 3.66 -1.649242113e+00 -1.649242113e+00 3.68 -1.592639004e+00 -1.592639004e+00 3.70 -1.538070584e+00 -1.538070584e+00 3.72 -1.485576842e+00 -1.485576842e+00 3.74 -1.435165093e+00 -1.435165093e+00 3.76 -1.386816038e+00 -1.386816038e+00 3.78 -1.340488978e+00 -1.340488978e+00 3.80 -1.296126202e+00 -1.296126202e+00 3.82 -1.253656717e+00 -1.253656717e+00 3.84 -1.212999562e+00 -1.212999562e+00 3.86 -1.174066836e+00 -1.174066836e+00 3.88 -1.136766549e+00 -1.136766549e+00 3.90 -1.101005235e+00 -1.101005235e+00 3.92 -1.066689357e+00 -1.066689357e+00 3.94 -1.033731080e+00 -1.033731080e+00 3.96 -1.002043707e+00 -1.002043707e+00 3.98 -9.715469652e-01 -9.715469652e-01 4.00 -9.421664792e-01 -9.421664792e-01 4.02 -9.138340092e-01 -9.138340092e-01 4.04 -8.864873988e-01 -8.864873988e-01 4.06 -8.600703153e-01 -8.600703153e-01 4.08 -8.345318544e-01 -8.345318544e-01 4.10 -8.098234470e-01 -8.098234470e-01 4.12 -7.859093269e-01 -7.859093269e-01 4.14 -7.627487777e-01 -7.627487777e-01 4.16 -7.403077762e-01 -7.403077762e-01 4.18 -7.185553487e-01 -7.185553487e-01 4.20 -6.974631798e-01 -6.974631798e-01 4.22 -6.770052650e-01 -6.770052650e-01 4.24 -6.571576076e-01 -6.571576076e-01 4.26 -6.378979549e-01 -6.378979549e-01 4.28 -6.192055715e-01 -6.192055715e-01 4.30 -6.010610450e-01 -6.010610450e-01 4.32 -5.834461196e-01 -5.834461196e-01 4.34 -5.663435546e-01 -5.663435546e-01 4.36 -5.497370034e-01 -5.497370034e-01 4.38 -5.336109105e-01 -5.336109105e-01 4.40 -5.179504237e-01 -5.179504237e-01 4.42 -5.027413190e-01 -5.027413190e-01 4.44 -4.879699361e-01 -4.879699361e-01 4.46 -4.736231227e-01 -4.736231227e-01 4.48 -4.596881871e-01 -4.596881871e-01 4.50 -4.461528560e-01 -4.461528560e-01 4.52 -4.330052382e-01 -4.330052382e-01 4.54 -4.202337927e-01 -4.202337927e-01 4.56 -4.078272998e-01 -4.078272998e-01 4.58 -3.957748362e-01 -3.957748362e-01 4.60 -3.840657513e-01 -3.840657513e-01 4.62 -3.726896470e-01 -3.726896470e-01 4.64 -3.616363585e-01 -3.616363585e-01 4.66 -3.508959368e-01 -3.508959368e-01 4.68 -3.404586330e-01 -3.404586330e-01 4.70 -3.303148838e-01 -3.303148838e-01 4.72 -3.204552986e-01 -3.204552986e-01 4.74 -3.108706479e-01 -3.108706479e-01 4.76 -3.015518539e-01 -3.015518539e-01 4.78 -2.924899826e-01 -2.924899826e-01 4.80 -2.836746821e-01 -2.836746821e-01 4.82 -2.751006548e-01 -2.751006548e-01 4.84 -2.667575336e-01 -2.667575336e-01 4.86 -2.586369466e-01 -2.586369466e-01 4.88 -2.507306731e-01 -2.507306731e-01 4.90 -2.430306594e-01 -2.430306594e-01 4.92 -2.355290425e-01 -2.355290425e-01 4.94 -2.282181794e-01 -2.282181794e-01 4.96 -2.210906865e-01 -2.210906865e-01 4.98 -2.141394856e-01 -2.141394856e-01 5.00 -2.073578606e-01 -2.073578606e-01 5.02 -2.007395209e-01 -2.007395209e-01 5.04 -1.942786733e-01 -1.942786733e-01 5.06 -1.879700983e-01 -1.879700983e-01 5.08 -1.818092265e-01 -1.818092265e-01 5.10 -1.757922126e-01 -1.757922126e-01 5.12 -1.699159996e-01 -1.699159996e-01 5.14 -1.641783670e-01 -1.641783670e-01 5.16 -1.585779539e-01 -1.585779539e-01 5.18 -1.531142504e-01 -1.531142504e-01 5.20 -1.477875501e-01 -1.477875501e-01 5.22 -1.425988599e-01 -1.425988599e-01 5.24 -1.375497646e-01 -1.375497646e-01 5.26 -1.326421587e-01 -1.326421587e-01 5.28 -1.278776822e-01 -1.278776822e-01 5.30 -1.232586069e-01 -1.232586069e-01 5.32 -1.187870224e-01 -1.187870224e-01 5.34 -1.144644644e-01 -1.144644644e-01 5.36 -1.102917130e-01 -1.102917130e-01 5.38 -1.062686337e-01 -1.062686337e-01 5.40 -1.023940736e-01 -1.023940736e-01 5.42 -9.866581720e-02 -9.866581720e-02 5.44 -9.508059926e-02 -9.508059926e-02 5.46 -9.163417017e-02 -9.163417017e-02 5.48 -8.832140248e-02 -8.832140248e-02 5.50 -8.513642693e-02 -8.513642693e-02 5.52 -8.207278514e-02 -8.207278514e-02 5.54 -7.912358738e-02 -7.912358738e-02 5.56 -7.628166572e-02 -7.628166572e-02 5.58 -7.353971548e-02 -7.353971548e-02 5.60 -7.089042046e-02 -7.089042046e-02 5.62 -6.832656005e-02 -6.832656005e-02 5.64 -6.584109801e-02 -6.584109801e-02 5.66 -6.342725449e-02 -6.342725449e-02 5.68 -6.107856378e-02 -6.107856378e-02 5.70 -5.878892071e-02 -5.878892071e-02 5.72 -5.655261878e-02 -5.655261878e-02 5.74 -5.436438309e-02 -5.436438309e-02 5.76 -5.221940050e-02 -5.221940050e-02 5.78 -5.011334925e-02 -5.011334925e-02 5.80 -4.804242910e-02 -4.804242910e-02 5.82 -4.600339295e-02 -4.600339295e-02 5.84 -4.399357960e-02 -4.399357960e-02 5.86 -4.201094668e-02 -4.201094668e-02 5.88 -4.005410216e-02 -4.005410216e-02 5.90 -3.812233172e-02 -3.812233172e-02 5.92 -3.621561906e-02 -3.621561906e-02 5.94 -3.433465546e-02 -3.433465546e-02 5.96 -3.248083510e-02 -3.248083510e-02 5.98 -3.065623115e-02 -3.065623115e-02 6.00 -2.886355205e-02 -2.886355205e-02