# 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 = FeMgW2 # 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 4.392861403e+02 4.392861403e+02 1.30 4.048429357e+02 4.048429357e+02 1.32 3.731348553e+02 3.731348553e+02 1.34 3.439227334e+02 3.439227334e+02 1.36 3.169858529e+02 3.169858529e+02 1.38 2.921227398e+02 2.921227398e+02 1.40 2.691527855e+02 2.691527855e+02 1.42 2.479169493e+02 2.479169493e+02 1.44 2.282765513e+02 2.282765513e+02 1.46 2.101103399e+02 2.101103399e+02 1.48 1.933107915e+02 1.933107915e+02 1.50 1.777806783e+02 1.777806783e+02 1.52 1.634305270e+02 1.634305270e+02 1.54 1.501770667e+02 1.501770667e+02 1.56 1.379424156e+02 1.379424156e+02 1.58 1.266536419e+02 1.266536419e+02 1.60 1.162424059e+02 1.162424059e+02 1.62 1.066445629e+02 1.066445629e+02 1.64 9.779974093e+01 9.779974093e+01 1.66 8.965095323e+01 8.965095323e+01 1.68 8.214430032e+01 8.214430032e+01 1.70 7.522879668e+01 7.522879668e+01 1.72 6.885631831e+01 6.885631831e+01 1.74 6.298165510e+01 6.298165510e+01 1.76 5.756262394e+01 5.756262394e+01 1.78 5.256026106e+01 5.256026106e+01 1.80 4.794003522e+01 4.794003522e+01 1.82 4.366995351e+01 4.366995351e+01 1.84 3.972099304e+01 3.972099304e+01 1.86 3.606759284e+01 3.606759284e+01 1.88 3.268727784e+01 3.268727784e+01 1.90 2.956064420e+01 2.956064420e+01 1.92 2.667077053e+01 2.667077053e+01 1.94 2.400240094e+01 2.400240094e+01 1.96 2.154137199e+01 2.154137199e+01 1.98 1.927420244e+01 1.927420244e+01 2.00 1.718785483e+01 1.718785483e+01 2.02 1.526963077e+01 1.526963077e+01 2.04 1.350715051e+01 1.350715051e+01 2.06 1.188837777e+01 1.188837777e+01 2.08 1.040167080e+01 1.040167080e+01 2.10 9.035859262e+00 9.035859262e+00 2.12 7.780350120e+00 7.780350120e+00 2.14 6.625256163e+00 6.625256163e+00 2.16 5.561525483e+00 5.561525483e+00 2.18 4.581037077e+00 4.581037077e+00 2.20 3.676635814e+00 3.676635814e+00 2.22 2.842094586e+00 2.842094586e+00 2.24 2.072017136e+00 2.072017136e+00 2.26 1.361705922e+00 1.361705922e+00 2.28 7.070212346e-01 7.070212346e-01 2.30 1.042546599e-01 1.042546599e-01 2.32 -4.499767620e-01 -4.499767620e-01 2.34 -9.588056217e-01 -9.588056217e-01 2.36 -1.425083423e+00 -1.425083423e+00 2.38 -1.851473739e+00 -1.851473739e+00 2.40 -2.240812727e+00 -2.240812727e+00 2.42 -2.595761217e+00 -2.595761217e+00 2.44 -2.918799630e+00 -2.918799630e+00 2.46 -3.212236658e+00 -3.212236658e+00 2.48 -3.478213956e+00 -3.478213956e+00 2.50 -3.718696825e+00 -3.718696825e+00 2.52 -3.935113987e+00 -3.935113987e+00 2.54 -4.128393501e+00 -4.128393501e+00 2.56 -4.299454315e+00 -4.299454315e+00 2.58 -4.449209442e+00 -4.449209442e+00 2.60 -4.578547779e+00 -4.578547779e+00 2.62 -4.688323632e+00 -4.688323632e+00 2.64 -4.779353554e+00 -4.779353554e+00 2.66 -4.852415691e+00 -4.852415691e+00 2.68 -4.908254189e+00 -4.908254189e+00 2.70 -4.947583743e+00 -4.947583743e+00 2.72 -4.971094688e+00 -4.971094688e+00 2.74 -4.979457935e+00 -4.979457935e+00 2.76 -4.973330035e+00 -4.973330035e+00 2.78 -4.953359115e+00 -4.953359115e+00 2.80 -4.920193539e+00 -4.920193539e+00 2.82 -4.874492388e+00 -4.874492388e+00 2.84 -4.816940772e+00 -4.816940772e+00 2.86 -4.748267310e+00 -4.748267310e+00 2.88 -4.669263060e+00 -4.669263060e+00 2.90 -4.580799136e+00 -4.580799136e+00 2.92 -4.483840115e+00 -4.483840115e+00 2.94 -4.379451437e+00 -4.379451437e+00 2.96 -4.268783258e+00 -4.268783258e+00 2.98 -4.153057049e+00 -4.153057049e+00 3.00 -4.033534599e+00 -4.033534599e+00 3.02 -3.911474663e+00 -3.911474663e+00 3.04 -3.788084077e+00 -3.788084077e+00 3.06 -3.664470395e+00 -3.664470395e+00 3.08 -3.541598868e+00 -3.541598868e+00 3.10 -3.420185322e+00 -3.420185322e+00 3.12 -3.300666817e+00 -3.300666817e+00 3.14 -3.183317246e+00 -3.183317246e+00 3.16 -3.068267333e+00 -3.068267333e+00 3.18 -2.955530238e+00 -2.955530238e+00 3.20 -2.845030866e+00 -2.845030866e+00 3.22 -2.736636828e+00 -2.736636828e+00 3.24 -2.630187045e+00 -2.630187045e+00 3.26 -2.525515769e+00 -2.525515769e+00 3.28 -2.422471031e+00 -2.422471031e+00 3.30 -2.320927718e+00 -2.320927718e+00 3.32 -2.220796326e+00 -2.220796326e+00 3.34 -2.122051991e+00 -2.122051991e+00 3.36 -2.024694054e+00 -2.024694054e+00 3.38 -1.928662408e+00 -1.928662408e+00 3.40 -1.833964462e+00 -1.833964462e+00 3.42 -1.740659749e+00 -1.740659749e+00 3.44 -1.648632410e+00 -1.648632410e+00 3.46 -1.557757853e+00 -1.557757853e+00 3.48 -1.468082037e+00 -1.468082037e+00 3.50 -1.379811141e+00 -1.379811141e+00 3.52 -1.293284926e+00 -1.293284926e+00 3.54 -1.208938562e+00 -1.208938562e+00 3.56 -1.127257503e+00 -1.127257503e+00 3.58 -1.048731020e+00 -1.048731020e+00 3.60 -9.738099047e-01 -9.738099047e-01 3.62 -9.028726635e-01 -9.028726635e-01 3.64 -8.362027462e-01 -8.362027462e-01 3.66 -7.739774136e-01 -7.739774136e-01 3.68 -7.162672122e-01 -7.162672122e-01 3.70 -6.630439111e-01 -6.630439111e-01 3.72 -6.141942531e-01 -6.141942531e-01 3.74 -5.695368828e-01 -5.695368828e-01 3.76 -5.288401817e-01 -5.288401817e-01 3.78 -4.918392905e-01 -4.918392905e-01 3.80 -4.582511788e-01 -4.582511788e-01 3.82 -4.277871490e-01 -4.277871490e-01 3.84 -4.001625718e-01 -4.001625718e-01 3.86 -3.751039571e-01 -3.751039571e-01 3.88 -3.523536549e-01 -3.523536549e-01 3.90 -3.316725950e-01 -3.316725950e-01 3.92 -3.128413819e-01 -3.128413819e-01 3.94 -2.956609757e-01 -2.956609757e-01 3.96 -2.799512643e-01 -2.799512643e-01 3.98 -2.655506821e-01 -2.655506821e-01 4.00 -2.523148439e-01 -2.523148439e-01 4.02 -2.401152585e-01 -2.401152585e-01 4.04 -2.288380019e-01 -2.288380019e-01 4.06 -2.183824138e-01 -2.183824138e-01 4.08 -2.086598515e-01 -2.086598515e-01 4.10 -1.995919182e-01 -1.995919182e-01 4.12 -1.911102902e-01 -1.911102902e-01 4.14 -1.831554778e-01 -1.831554778e-01 4.16 -1.756758709e-01 -1.756758709e-01 4.18 -1.686260784e-01 -1.686260784e-01 4.20 -1.619662638e-01 -1.619662638e-01 4.22 -1.556614910e-01 -1.556614910e-01 4.24 -1.496811107e-01 -1.496811107e-01 4.26 -1.439982020e-01 -1.439982020e-01 4.28 -1.385890743e-01 -1.385890743e-01 4.30 -1.334328295e-01 -1.334328295e-01 4.32 -1.285109802e-01 -1.285109802e-01 4.34 -1.238071191e-01 -1.238071191e-01 4.36 -1.193066349e-01 -1.193066349e-01 4.38 -1.149964679e-01 -1.149964679e-01 4.40 -1.108649005e-01 -1.108649005e-01 4.42 -1.069013779e-01 -1.069013779e-01 4.44 -1.030963552e-01 -1.030963552e-01 4.46 -9.944116564e-02 -9.944116564e-02 4.48 -9.592790919e-02 -9.592790919e-02 4.50 -9.254935585e-02 -9.254935585e-02 4.52 -8.929886373e-02 -8.929886373e-02 4.54 -8.617030796e-02 -8.617030796e-02 4.56 -8.315802015e-02 -8.315802015e-02 4.58 -8.025673624e-02 -8.025673624e-02 4.60 -7.746155135e-02 -7.746155135e-02 4.62 -7.476788087e-02 -7.476788087e-02 4.64 -7.217142673e-02 -7.217142673e-02 4.66 -6.966814809e-02 -6.966814809e-02 4.68 -6.725423584e-02 -6.725423584e-02 4.70 -6.492609034e-02 -6.492609034e-02 4.72 -6.268030190e-02 -6.268030190e-02 4.74 -6.051363363e-02 -6.051363363e-02 4.76 -5.842300628e-02 -5.842300628e-02 4.78 -5.640548486e-02 -5.640548486e-02 4.80 -5.445806098e-02 -5.445806098e-02 4.82 -5.257850170e-02 -5.257850170e-02 4.84 -5.076398031e-02 -5.076398031e-02 4.86 -4.901199336e-02 -4.901199336e-02 4.88 -4.732017809e-02 -4.732017809e-02 4.90 -4.568626506e-02 -4.568626506e-02 4.92 -4.410806535e-02 -4.410806535e-02 4.94 -4.258346510e-02 -4.258346510e-02 4.96 -4.111042061e-02 -4.111042061e-02 4.98 -3.968695378e-02 -3.968695378e-02 5.00 -3.831114826e-02 -3.831114826e-02 5.02 -3.698114603e-02 -3.698114603e-02 5.04 -3.569514471e-02 -3.569514471e-02 5.06 -3.445139533e-02 -3.445139533e-02 5.08 -3.324820103e-02 -3.324820103e-02 5.10 -3.208391645e-02 -3.208391645e-02 5.12 -3.095694827e-02 -3.095694827e-02 5.14 -2.986575670e-02 -2.986575670e-02 5.16 -2.880885836e-02 -2.880885836e-02 5.18 -2.778483044e-02 -2.778483044e-02 5.20 -2.679231630e-02 -2.679231630e-02 5.22 -2.583003258e-02 -2.583003258e-02 5.24 -2.489677755e-02 -2.489677755e-02 5.26 -2.399144057e-02 -2.399144057e-02 5.28 -2.311301216e-02 -2.311301216e-02 5.30 -2.226059391e-02 -2.226059391e-02 5.32 -2.143340746e-02 -2.143340746e-02 5.34 -2.063080069e-02 -2.063080069e-02 5.36 -1.985222299e-02 -1.985222299e-02 5.38 -1.909727112e-02 -1.909727112e-02 5.40 -1.836568100e-02 -1.836568100e-02 5.42 -1.765729395e-02 -1.765729395e-02 5.44 -1.697203555e-02 -1.697203555e-02 5.46 -1.630988803e-02 -1.630988803e-02 5.48 -1.567085799e-02 -1.567085799e-02 5.50 -1.505494137e-02 -1.505494137e-02 5.52 -1.446208877e-02 -1.446208877e-02 5.54 -1.389217394e-02 -1.389217394e-02 5.56 -1.334496837e-02 -1.334496837e-02 5.58 -1.282012377e-02 -1.282012377e-02 5.60 -1.231716374e-02 -1.231716374e-02 5.62 -1.183548459e-02 -1.183548459e-02 5.64 -1.137436420e-02 -1.137436420e-02 5.66 -1.093297735e-02 -1.093297735e-02 5.68 -1.051041535e-02 -1.051041535e-02 5.70 -1.010570774e-02 -1.010570774e-02 5.72 -9.717844203e-03 -9.717844203e-03 5.74 -9.345794943e-03 -9.345794943e-03 5.76 -8.988528723e-03 -8.988528723e-03 5.78 -8.645027763e-03 -8.645027763e-03 5.80 -8.314299453e-03 -8.314299453e-03 5.82 -7.995385012e-03 -7.995385012e-03 5.84 -7.687365487e-03 -7.687365487e-03 5.86 -7.389365600e-03 -7.389365600e-03 5.88 -7.100555987e-03 -7.100555987e-03 5.90 -6.820154407e-03 -6.820154407e-03 5.92 -6.547426399e-03 -6.547426399e-03 5.94 -6.281685858e-03 -6.281685858e-03 5.96 -6.022295880e-03 -6.022295880e-03 5.98 -5.768670184e-03 -5.768670184e-03 6.00 -5.520275307e-03 -5.520275307e-03