# 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 = MoPd2Ti # 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 3.292835308e+02 3.292835308e+02 1.30 3.055467283e+02 3.055467283e+02 1.32 2.835340982e+02 2.835340982e+02 1.34 2.631101205e+02 2.631101205e+02 1.36 2.441526135e+02 2.441526135e+02 1.38 2.265501568e+02 2.265501568e+02 1.40 2.102003958e+02 2.102003958e+02 1.42 1.950085647e+02 1.950085647e+02 1.44 1.808865574e+02 1.808865574e+02 1.46 1.677527538e+02 1.677527538e+02 1.48 1.555320540e+02 1.555320540e+02 1.50 1.441556284e+02 1.441556284e+02 1.52 1.335603874e+02 1.335603874e+02 1.54 1.236883734e+02 1.236883734e+02 1.56 1.144861347e+02 1.144861347e+02 1.58 1.059040795e+02 1.059040795e+02 1.60 9.789600465e+01 9.789600465e+01 1.62 9.041899237e+01 9.041899237e+01 1.64 8.343356884e+01 8.343356884e+01 1.66 7.690381676e+01 7.690381676e+01 1.68 7.079727823e+01 7.079727823e+01 1.70 6.508468101e+01 6.508468101e+01 1.72 5.973956069e+01 5.973956069e+01 1.74 5.473786587e+01 5.473786587e+01 1.76 5.005800515e+01 5.005800515e+01 1.78 4.568228427e+01 4.568228427e+01 1.80 4.160824843e+01 4.160824843e+01 1.82 3.784016660e+01 3.784016660e+01 1.84 3.435845925e+01 3.435845925e+01 1.86 3.114403499e+01 3.114403499e+01 1.88 2.817828082e+01 2.817828082e+01 1.90 2.544303892e+01 2.544303892e+01 1.92 2.292081177e+01 2.292081177e+01 1.94 2.059506114e+01 2.059506114e+01 1.96 1.845043984e+01 1.845043984e+01 1.98 1.647286512e+01 1.647286512e+01 2.00 1.464944903e+01 1.464944903e+01 2.02 1.296835469e+01 1.296835469e+01 2.04 1.141864237e+01 1.141864237e+01 2.06 9.990143998e+00 9.990143998e+00 2.08 8.673384413e+00 8.673384413e+00 2.10 7.459549095e+00 7.459549095e+00 2.12 6.340482929e+00 6.340482929e+00 2.14 5.308699923e+00 5.308699923e+00 2.16 4.357386638e+00 4.357386638e+00 2.18 3.480388007e+00 3.480388007e+00 2.20 2.672170391e+00 2.672170391e+00 2.22 1.927763440e+00 1.927763440e+00 2.24 1.242690245e+00 1.242690245e+00 2.26 6.128979423e-01 6.128979423e-01 2.28 3.469689749e-02 3.469689749e-02 2.30 -4.952907618e-01 -4.952907618e-01 2.32 -9.801789670e-01 -9.801789670e-01 2.34 -1.422864228e+00 -1.422864228e+00 2.36 -1.826069613e+00 -1.826069613e+00 2.38 -2.192382291e+00 -2.192382291e+00 2.40 -2.524282525e+00 -2.524282525e+00 2.42 -2.824163947e+00 -2.824163947e+00 2.44 -3.094345111e+00 -3.094345111e+00 2.46 -3.337071795e+00 -3.337071795e+00 2.48 -3.554507938e+00 -3.554507938e+00 2.50 -3.748658832e+00 -3.748658832e+00 2.52 -3.921364058e+00 -3.921364058e+00 2.54 -4.074516758e+00 -4.074516758e+00 2.56 -4.209795409e+00 -4.209795409e+00 2.58 -4.328644991e+00 -4.328644991e+00 2.60 -4.432295145e+00 -4.432295145e+00 2.62 -4.521823774e+00 -4.521823774e+00 2.64 -4.598167630e+00 -4.598167630e+00 2.66 -4.662057836e+00 -4.662057836e+00 2.68 -4.714031611e+00 -4.714031611e+00 2.70 -4.754560627e+00 -4.754560627e+00 2.72 -4.784142192e+00 -4.784142192e+00 2.74 -4.803295249e+00 -4.803295249e+00 2.76 -4.812552534e+00 -4.812552534e+00 2.78 -4.812376419e+00 -4.812376419e+00 2.80 -4.803160071e+00 -4.803160071e+00 2.82 -4.785857199e+00 -4.785857199e+00 2.84 -4.760897805e+00 -4.760897805e+00 2.86 -4.728451454e+00 -4.728451454e+00 2.88 -4.688775443e+00 -4.688775443e+00 2.90 -4.642211229e+00 -4.642211229e+00 2.92 -4.589178138e+00 -4.589178138e+00 2.94 -4.530162550e+00 -4.530162550e+00 2.96 -4.465702580e+00 -4.465702580e+00 2.98 -4.396392012e+00 -4.396392012e+00 3.00 -4.322910287e+00 -4.322910287e+00 3.02 -4.245925586e+00 -4.245925586e+00 3.04 -4.166059209e+00 -4.166059209e+00 3.06 -4.083871920e+00 -4.083871920e+00 3.08 -3.999852566e+00 -3.999852566e+00 3.10 -3.914411466e+00 -3.914411466e+00 3.12 -3.827878981e+00 -3.827878981e+00 3.14 -3.740510206e+00 -3.740510206e+00 3.16 -3.652494272e+00 -3.652494272e+00 3.18 -3.563967378e+00 -3.563967378e+00 3.20 -3.475026948e+00 -3.475026948e+00 3.22 -3.385745689e+00 -3.385745689e+00 3.24 -3.296184517e+00 -3.296184517e+00 3.26 -3.206403950e+00 -3.206403950e+00 3.28 -3.116473800e+00 -3.116473800e+00 3.30 -3.026481136e+00 -3.026481136e+00 3.32 -2.936536391e+00 -2.936536391e+00 3.34 -2.846777478e+00 -2.846777478e+00 3.36 -2.757371670e+00 -2.757371670e+00 3.38 -2.668515097e+00 -2.668515097e+00 3.40 -2.580429761e+00 -2.580429761e+00 3.42 -2.493358321e+00 -2.493358321e+00 3.44 -2.407556748e+00 -2.407556748e+00 3.46 -2.323285745e+00 -2.323285745e+00 3.48 -2.240801331e+00 -2.240801331e+00 3.50 -2.160345391e+00 -2.160345391e+00 3.52 -2.082136775e+00 -2.082136775e+00 3.54 -2.006363442e+00 -2.006363442e+00 3.56 -1.933176042e+00 -1.933176042e+00 3.58 -1.862683304e+00 -1.862683304e+00 3.60 -1.794949550e+00 -1.794949550e+00 3.62 -1.729994610e+00 -1.729994610e+00 3.64 -1.667796201e+00 -1.667796201e+00 3.66 -1.608294533e+00 -1.608294533e+00 3.68 -1.551398620e+00 -1.551398620e+00 3.70 -1.496993521e+00 -1.496993521e+00 3.72 -1.444947744e+00 -1.444947744e+00 3.74 -1.395120141e+00 -1.395120141e+00 3.76 -1.347365840e+00 -1.347365840e+00 3.78 -1.301541031e+00 -1.301541031e+00 3.80 -1.257506564e+00 -1.257506564e+00 3.82 -1.215130493e+00 -1.215130493e+00 3.84 -1.174289731e+00 -1.174289731e+00 3.86 -1.134871009e+00 -1.134871009e+00 3.88 -1.096771343e+00 -1.096771343e+00 3.90 -1.059898162e+00 -1.059898162e+00 3.92 -1.024169213e+00 -1.024169213e+00 3.94 -9.895125216e-01 -9.895125216e-01 3.96 -9.558660316e-01 -9.558660316e-01 3.98 -9.231775747e-01 -9.231775747e-01 4.00 -8.914046701e-01 -8.914046701e-01 4.02 -8.605143083e-01 -8.605143083e-01 4.04 -8.304825941e-01 -8.304825941e-01 4.06 -8.012941448e-01 -8.012941448e-01 4.08 -7.729411446e-01 -7.729411446e-01 4.10 -7.454219263e-01 -7.454219263e-01 4.12 -7.187394444e-01 -7.187394444e-01 4.14 -6.928987588e-01 -6.928987588e-01 4.16 -6.679049986e-01 -6.679049986e-01 4.18 -6.437609964e-01 -6.437609964e-01 4.20 -6.204652569e-01 -6.204652569e-01 4.22 -5.980103939e-01 -5.980103939e-01 4.24 -5.763821810e-01 -5.763821810e-01 4.26 -5.555592606e-01 -5.555592606e-01 4.28 -5.355134663e-01 -5.355134663e-01 4.30 -5.162106348e-01 -5.162106348e-01 4.32 -4.976117452e-01 -4.976117452e-01 4.34 -4.796742146e-01 -4.796742146e-01 4.36 -4.623532051e-01 -4.623532051e-01 4.38 -4.456028349e-01 -4.456028349e-01 4.40 -4.293772321e-01 -4.293772321e-01 4.42 -4.136314104e-01 -4.136314104e-01 4.44 -3.983219783e-01 -3.983219783e-01 4.46 -3.834077129e-01 -3.834077129e-01 4.48 -3.688500423e-01 -3.688500423e-01 4.50 -3.546134785e-01 -3.546134785e-01 4.52 -3.406660418e-01 -3.406660418e-01 4.54 -3.269797021e-01 -3.269797021e-01 4.56 -3.135308543e-01 -3.135308543e-01 4.58 -3.003008199e-01 -3.003008199e-01 4.60 -2.872763564e-01 -2.872763564e-01 4.62 -2.744501299e-01 -2.744501299e-01 4.64 -2.618210924e-01 -2.618210924e-01 4.66 -2.493946928e-01 -2.493946928e-01 4.68 -2.371828459e-01 -2.371828459e-01 4.70 -2.252035890e-01 -2.252035890e-01 4.72 -2.134803810e-01 -2.134803810e-01 4.74 -2.020410286e-01 -2.020410286e-01 4.76 -1.909162720e-01 -1.909162720e-01 4.78 -1.801381133e-01 -1.801381133e-01 4.80 -1.697379692e-01 -1.697379692e-01 4.82 -1.597450633e-01 -1.597450633e-01 4.84 -1.501845587e-01 -1.501845587e-01 4.86 -1.410764853e-01 -1.410764853e-01 4.88 -1.324348607e-01 -1.324348607e-01 4.90 -1.242673405e-01 -1.242673405e-01 4.92 -1.165753296e-01 -1.165753296e-01 4.94 -1.093544819e-01 -1.093544819e-01 4.96 -1.025954737e-01 -1.025954737e-01 4.98 -9.628492614e-02 -9.628492614e-02 5.00 -9.040635115e-02 -9.040635115e-02 5.02 -8.494102795e-02 -8.494102795e-02 5.04 -7.986856385e-02 -7.986856385e-02 5.06 -7.516773919e-02 -7.516773919e-02 5.08 -7.081705436e-02 -7.081705436e-02 5.10 -6.679467384e-02 -6.679467384e-02 5.12 -6.307866841e-02 -6.307866841e-02 5.14 -5.964719543e-02 -5.964719543e-02 5.16 -5.647858735e-02 -5.647858735e-02 5.18 -5.355145546e-02 -5.355145546e-02 5.20 -5.084533870e-02 -5.084533870e-02 5.22 -4.834044554e-02 -4.834044554e-02 5.24 -4.601779373e-02 -4.601779373e-02 5.26 -4.385936812e-02 -4.385936812e-02 5.28 -4.184824030e-02 -4.184824030e-02 5.30 -3.996864691e-02 -3.996864691e-02 5.32 -3.820602781e-02 -3.820602781e-02 5.34 -3.654702662e-02 -3.654702662e-02 5.36 -3.497946186e-02 -3.497946186e-02 5.38 -3.349227618e-02 -3.349227618e-02 5.40 -3.207547048e-02 -3.207547048e-02 5.42 -3.072003066e-02 -3.072003066e-02 5.44 -2.941785349e-02 -2.941785349e-02 5.46 -2.816167672e-02 -2.816167672e-02 5.48 -2.694501768e-02 -2.694501768e-02 5.50 -2.576212346e-02 -2.576212346e-02 5.52 -2.460793428e-02 -2.460793428e-02 5.54 -2.347806093e-02 -2.347806093e-02 5.56 -2.236877808e-02 -2.236877808e-02 5.58 -2.127702833e-02 -2.127702833e-02 5.60 -2.020043669e-02 -2.020043669e-02 5.62 -1.913733213e-02 -1.913733213e-02 5.64 -1.808677057e-02 -1.808677057e-02 5.66 -1.704855339e-02 -1.704855339e-02 5.68 -1.602323436e-02 -1.602323436e-02 5.70 -1.501210785e-02 -1.501210785e-02 5.72 -1.401717173e-02 -1.401717173e-02 5.74 -1.304105940e-02 -1.304105940e-02 5.76 -1.208693725e-02 -1.208693725e-02 5.78 -1.115830099e-02 -1.115830099e-02 5.80 -1.025894097e-02 -1.025894097e-02 5.82 -9.392751690e-03 -9.392751690e-03 5.84 -8.563488507e-03 -8.563488507e-03 5.86 -7.774582318e-03 -7.774582318e-03 5.88 -7.028974182e-03 -7.028974182e-03 5.90 -6.328982296e-03 -6.328982296e-03 5.92 -5.676210276e-03 -5.676210276e-03 5.94 -5.071501293e-03 -5.071501293e-03 5.96 -4.514937794e-03 -4.514937794e-03 5.98 -4.005882279e-03 -4.005882279e-03 6.00 -3.543051282e-03 -3.543051282e-03