# 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 = MgNi2W # 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 2.682669547e+02 2.682669547e+02 1.30 2.470009942e+02 2.470009942e+02 1.32 2.274242008e+02 2.274242008e+02 1.34 2.093918545e+02 2.093918545e+02 1.36 1.927711052e+02 1.927711052e+02 1.38 1.774414948e+02 1.774414948e+02 1.40 1.632944417e+02 1.632944417e+02 1.42 1.502324242e+02 1.502324242e+02 1.44 1.381680212e+02 1.381680212e+02 1.46 1.270225470e+02 1.270225470e+02 1.48 1.167244490e+02 1.167244490e+02 1.50 1.072080312e+02 1.072080312e+02 1.52 9.841293330e+01 9.841293330e+01 1.54 9.028415072e+01 9.028415072e+01 1.56 8.277190349e+01 8.277190349e+01 1.58 7.583100336e+01 7.583100336e+01 1.60 6.942005161e+01 6.942005161e+01 1.62 6.350088891e+01 6.350088891e+01 1.64 5.803828655e+01 5.803828655e+01 1.66 5.299964859e+01 5.299964859e+01 1.68 4.835505944e+01 4.835505944e+01 1.70 4.407578794e+01 4.407578794e+01 1.72 4.013411910e+01 4.013411910e+01 1.74 3.650334899e+01 3.650334899e+01 1.76 3.315770000e+01 3.315770000e+01 1.78 3.007299669e+01 3.007299669e+01 1.80 2.722690038e+01 2.722690038e+01 1.82 2.459919064e+01 2.459919064e+01 1.84 2.217193221e+01 2.217193221e+01 1.86 1.992942341e+01 1.992942341e+01 1.88 1.785794715e+01 1.785794715e+01 1.90 1.594541381e+01 1.594541381e+01 1.92 1.418098583e+01 1.418098583e+01 1.94 1.255475237e+01 1.255475237e+01 1.96 1.105748941e+01 1.105748941e+01 1.98 9.680510650e+00 9.680510650e+00 2.00 8.415581060e+00 8.415581060e+00 2.02 7.254856975e+00 7.254856975e+00 2.04 6.190834348e+00 6.190834348e+00 2.06 5.216306806e+00 5.216306806e+00 2.08 4.324345233e+00 4.324345233e+00 2.10 3.508310015e+00 3.508310015e+00 2.12 2.761895899e+00 2.761895899e+00 2.14 2.079198100e+00 2.079198100e+00 2.16 1.454779223e+00 1.454779223e+00 2.18 8.837121878e-01 8.837121878e-01 2.20 3.615854638e-01 3.615854638e-01 2.22 -1.154426103e-01 -1.154426103e-01 2.24 -5.508952894e-01 -5.508952894e-01 2.26 -9.481370454e-01 -9.481370454e-01 2.28 -1.310208872e+00 -1.310208872e+00 2.30 -1.639909939e+00 -1.639909939e+00 2.32 -1.939864392e+00 -1.939864392e+00 2.34 -2.212491104e+00 -2.212491104e+00 2.36 -2.459699581e+00 -2.459699581e+00 2.38 -2.683224597e+00 -2.683224597e+00 2.40 -2.884744078e+00 -2.884744078e+00 2.42 -3.065812163e+00 -3.065812163e+00 2.44 -3.227831736e+00 -3.227831736e+00 2.46 -3.372062254e+00 -3.372062254e+00 2.48 -3.499645289e+00 -3.499645289e+00 2.50 -3.611632503e+00 -3.611632503e+00 2.52 -3.709007046e+00 -3.709007046e+00 2.54 -3.792696549e+00 -3.792696549e+00 2.56 -3.863579872e+00 -3.863579872e+00 2.58 -3.922491293e+00 -3.922491293e+00 2.60 -3.970223279e+00 -3.970223279e+00 2.62 -4.007528650e+00 -4.007528650e+00 2.64 -4.035133075e+00 -4.035133075e+00 2.66 -4.053741479e+00 -4.053741479e+00 2.68 -4.064045665e+00 -4.064045665e+00 2.70 -4.066729267e+00 -4.066729267e+00 2.72 -4.062468780e+00 -4.062468780e+00 2.74 -4.051914950e+00 -4.051914950e+00 2.76 -4.035507218e+00 -4.035507218e+00 2.78 -4.013557036e+00 -4.013557036e+00 2.80 -3.986393990e+00 -3.986393990e+00 2.82 -3.954350449e+00 -3.954350449e+00 2.84 -3.917749699e+00 -3.917749699e+00 2.86 -3.876900357e+00 -3.876900357e+00 2.88 -3.832096718e+00 -3.832096718e+00 2.90 -3.783622499e+00 -3.783622499e+00 2.92 -3.731755420e+00 -3.731755420e+00 2.94 -3.676770705e+00 -3.676770705e+00 2.96 -3.618942457e+00 -3.618942457e+00 2.98 -3.558542624e+00 -3.558542624e+00 3.00 -3.495837890e+00 -3.495837890e+00 3.02 -3.431085143e+00 -3.431085143e+00 3.04 -3.364526078e+00 -3.364526078e+00 3.06 -3.296383628e+00 -3.296383628e+00 3.08 -3.226870141e+00 -3.226870141e+00 3.10 -3.156177700e+00 -3.156177700e+00 3.12 -3.084380081e+00 -3.084380081e+00 3.14 -3.011550575e+00 -3.011550575e+00 3.16 -2.937765343e+00 -2.937765343e+00 3.18 -2.863091054e+00 -2.863091054e+00 3.20 -2.787515618e+00 -2.787515618e+00 3.22 -2.711018668e+00 -2.711018668e+00 3.24 -2.633623697e+00 -2.633623697e+00 3.26 -2.555386684e+00 -2.555386684e+00 3.28 -2.476389799e+00 -2.476389799e+00 3.30 -2.396739470e+00 -2.396739470e+00 3.32 -2.316567239e+00 -2.316567239e+00 3.34 -2.236031932e+00 -2.236031932e+00 3.36 -2.155321929e+00 -2.155321929e+00 3.38 -2.074656521e+00 -2.074656521e+00 3.40 -1.994285466e+00 -1.994285466e+00 3.42 -1.914486407e+00 -1.914486407e+00 3.44 -1.835558981e+00 -1.835558981e+00 3.46 -1.757816672e+00 -1.757816672e+00 3.48 -1.681575969e+00 -1.681575969e+00 3.50 -1.607144008e+00 -1.607144008e+00 3.52 -1.534805791e+00 -1.534805791e+00 3.54 -1.464812243e+00 -1.464812243e+00 3.56 -1.397370304e+00 -1.397370304e+00 3.58 -1.332635970e+00 -1.332635970e+00 3.60 -1.270710792e+00 -1.270710792e+00 3.62 -1.211641914e+00 -1.211641914e+00 3.64 -1.155425358e+00 -1.155425358e+00 3.66 -1.102011949e+00 -1.102011949e+00 3.68 -1.051315165e+00 -1.051315165e+00 3.70 -1.003220098e+00 -1.003220098e+00 3.72 -9.575928270e-01 -9.575928270e-01 3.74 -9.142895369e-01 -9.142895369e-01 3.76 -8.731648735e-01 -8.731648735e-01 3.78 -8.340790815e-01 -8.340790815e-01 3.80 -7.969035706e-01 -7.969035706e-01 3.82 -7.615246239e-01 -7.615246239e-01 3.84 -7.278450700e-01 -7.278450700e-01 3.86 -6.957838917e-01 -6.957838917e-01 3.88 -6.652739603e-01 -6.652739603e-01 3.90 -6.362583195e-01 -6.362583195e-01 3.92 -6.086855212e-01 -6.086855212e-01 3.94 -5.825056030e-01 -5.825056030e-01 3.96 -5.576652343e-01 -5.576652343e-01 3.98 -5.341055868e-01 -5.341055868e-01 4.00 -5.117608077e-01 -5.117608077e-01 4.02 -4.905580368e-01 -4.905580368e-01 4.04 -4.704185107e-01 -4.704185107e-01 4.06 -4.512593549e-01 -4.512593549e-01 4.08 -4.329956543e-01 -4.329956543e-01 4.10 -4.155421731e-01 -4.155421731e-01 4.12 -3.988163508e-01 -3.988163508e-01 4.14 -3.827377072e-01 -3.827377072e-01 4.16 -3.672302543e-01 -3.672302543e-01 4.18 -3.522228366e-01 -3.522228366e-01 4.20 -3.376496435e-01 -3.376496435e-01 4.22 -3.234506269e-01 -3.234506269e-01 4.24 -3.095719242e-01 -3.095719242e-01 4.26 -2.959663633e-01 -2.959663633e-01 4.28 -2.825940959e-01 -2.825940959e-01 4.30 -2.694233707e-01 -2.694233707e-01 4.32 -2.564314111e-01 -2.564314111e-01 4.34 -2.436053216e-01 -2.436053216e-01 4.36 -2.309428973e-01 -2.309428973e-01 4.38 -2.184531748e-01 -2.184531748e-01 4.40 -2.061565430e-01 -2.061565430e-01 4.42 -1.940842359e-01 -1.940842359e-01 4.44 -1.822770747e-01 -1.822770747e-01 4.46 -1.707834082e-01 -1.707834082e-01 4.48 -1.596563126e-01 -1.596563126e-01 4.50 -1.489502398e-01 -1.489502398e-01 4.52 -1.387174148e-01 -1.387174148e-01 4.54 -1.290043492e-01 -1.290043492e-01 4.56 -1.198488461e-01 -1.198488461e-01 4.58 -1.112778001e-01 -1.112778001e-01 4.60 -1.033059814e-01 -1.033059814e-01 4.62 -9.593584391e-02 -9.593584391e-02 4.64 -8.915826330e-02 -8.915826330e-02 4.66 -8.295398338e-02 -8.295398338e-02 4.68 -7.729553197e-02 -7.729553197e-02 4.70 -7.214936824e-02 -7.214936824e-02 4.72 -6.747795628e-02 -6.747795628e-02 4.74 -6.324072121e-02 -6.324072121e-02 4.76 -5.939813192e-02 -5.939813192e-02 4.78 -5.591183302e-02 -5.591183302e-02 4.80 -5.274466230e-02 -5.274466230e-02 4.82 -4.986234068e-02 -4.986234068e-02 4.84 -4.723261199e-02 -4.723261199e-02 4.86 -4.482642368e-02 -4.482642368e-02 4.88 -4.261771887e-02 -4.261771887e-02 4.90 -4.058334790e-02 -4.058334790e-02 4.92 -3.870289566e-02 -3.870289566e-02 4.94 -3.695843904e-02 -3.695843904e-02 4.96 -3.533430948e-02 -3.533430948e-02 4.98 -3.381691988e-02 -3.381691988e-02 5.00 -3.239445920e-02 -3.239445920e-02 5.02 -3.105666764e-02 -3.105666764e-02 5.04 -2.979463332e-02 -2.979463332e-02 5.06 -2.860060956e-02 -2.860060956e-02 5.08 -2.746785333e-02 -2.746785333e-02 5.10 -2.639048416e-02 -2.639048416e-02 5.12 -2.536336259e-02 -2.536336259e-02 5.14 -2.438198648e-02 -2.438198648e-02 5.16 -2.344240368e-02 -2.344240368e-02 5.18 -2.254113935e-02 -2.254113935e-02 5.20 -2.167513638e-02 -2.167513638e-02 5.22 -2.084170744e-02 -2.084170744e-02 5.24 -2.003849691e-02 -2.003849691e-02 5.26 -1.926345145e-02 -1.926345145e-02 5.28 -1.851479744e-02 -1.851479744e-02 5.30 -1.779102359e-02 -1.779102359e-02 5.32 -1.709086705e-02 -1.709086705e-02 5.34 -1.641330034e-02 -1.641330034e-02 5.36 -1.575749084e-02 -1.575749084e-02 5.38 -1.512283158e-02 -1.512283158e-02 5.40 -1.450892114e-02 -1.450892114e-02 5.42 -1.391551921e-02 -1.391551921e-02 5.44 -1.334251560e-02 -1.334251560e-02 5.46 -1.278989368e-02 -1.278989368e-02 5.48 -1.225768971e-02 -1.225768971e-02 5.50 -1.174595037e-02 -1.174595037e-02 5.52 -1.125469126e-02 -1.125469126e-02 5.54 -1.078385967e-02 -1.078385967e-02 5.56 -1.033330427e-02 -1.033330427e-02 5.58 -9.902754013e-03 -9.902754013e-03 5.60 -9.491807314e-03 -9.491807314e-03 5.62 -9.099931336e-03 -9.099931336e-03 5.64 -8.726470410e-03 -8.726470410e-03 5.66 -8.370661606e-03 -8.370661606e-03 5.68 -8.031655140e-03 -8.031655140e-03 5.70 -7.708537222e-03 -7.708537222e-03 5.72 -7.400353173e-03 -7.400353173e-03 5.74 -7.106129121e-03 -7.106129121e-03 5.76 -6.824891076e-03 -6.824891076e-03 5.78 -6.555680737e-03 -6.555680737e-03 5.80 -6.297567837e-03 -6.297567837e-03 5.82 -6.049659167e-03 -6.049659167e-03 5.84 -5.811104682e-03 -5.811104682e-03 5.86 -5.581101197e-03 -5.581101197e-03 5.88 -5.358894253e-03 -5.358894253e-03 5.90 -5.143778712e-03 -5.143778712e-03 5.92 -4.935098614e-03 -4.935098614e-03 5.94 -4.732246725e-03 -4.732246725e-03 5.96 -4.534664171e-03 -4.534664171e-03 5.98 -4.341840436e-03 -4.341840436e-03 6.00 -4.153313939e-03 -4.153313939e-03