# 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 = CoNi2Ti # 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 1.407577268e+02 1.407577268e+02 1.30 1.291541255e+02 1.291541255e+02 1.32 1.184754763e+02 1.184754763e+02 1.34 1.086400918e+02 1.086400918e+02 1.36 9.957579653e+01 9.957579653e+01 1.38 9.122004847e+01 9.122004847e+01 1.40 8.351781768e+01 8.351781768e+01 1.42 7.641923434e+01 7.641923434e+01 1.44 6.987806878e+01 6.987806878e+01 1.46 6.385098970e+01 6.385098970e+01 1.48 5.829728374e+01 5.829728374e+01 1.50 5.317884385e+01 5.317884385e+01 1.52 4.846031738e+01 4.846031738e+01 1.54 4.410929217e+01 4.410929217e+01 1.56 4.009631728e+01 4.009631728e+01 1.58 3.639463111e+01 3.639463111e+01 1.60 3.297978167e+01 3.297978167e+01 1.62 2.982941578e+01 2.982941578e+01 1.64 2.692319960e+01 2.692319960e+01 1.66 2.424264615e+01 2.424264615e+01 1.68 2.177092340e+01 2.177092340e+01 1.70 1.949278046e+01 1.949278046e+01 1.72 1.739354131e+01 1.739354131e+01 1.74 1.545904653e+01 1.545904653e+01 1.76 1.367608363e+01 1.367608363e+01 1.78 1.203253486e+01 1.203253486e+01 1.80 1.051753586e+01 1.051753586e+01 1.82 9.121547998e+00 9.121547998e+00 1.84 7.836260117e+00 7.836260117e+00 1.86 6.654317051e+00 6.654317051e+00 1.88 5.568959910e+00 5.568959910e+00 1.90 4.573701840e+00 4.573701840e+00 1.92 3.662133757e+00 3.662133757e+00 1.94 2.827897440e+00 2.827897440e+00 1.96 2.064801054e+00 2.064801054e+00 1.98 1.367000193e+00 1.367000193e+00 2.00 7.291476327e-01 7.291476327e-01 2.02 1.464501107e-01 1.464501107e-01 2.04 -3.853655566e-01 -3.853655566e-01 2.06 -8.701302823e-01 -8.701302823e-01 2.08 -1.311305845e+00 -1.311305845e+00 2.10 -1.712033574e+00 -1.712033574e+00 2.12 -2.075167937e+00 -2.075167937e+00 2.14 -2.403311638e+00 -2.403311638e+00 2.16 -2.698858474e+00 -2.698858474e+00 2.18 -2.964040924e+00 -2.964040924e+00 2.20 -3.200976701e+00 -3.200976701e+00 2.22 -3.411709582e+00 -3.411709582e+00 2.24 -3.598238385e+00 -3.598238385e+00 2.26 -3.762529150e+00 -3.762529150e+00 2.28 -3.906510912e+00 -3.906510912e+00 2.30 -4.032060490e+00 -4.032060490e+00 2.32 -4.140982394e+00 -4.140982394e+00 2.34 -4.234981771e+00 -4.234981771e+00 2.36 -4.315629076e+00 -4.315629076e+00 2.38 -4.384320745e+00 -4.384320745e+00 2.40 -4.442250573e+00 -4.442250573e+00 2.42 -4.490405972e+00 -4.490405972e+00 2.44 -4.529602384e+00 -4.529602384e+00 2.46 -4.560564700e+00 -4.560564700e+00 2.48 -4.583812309e+00 -4.583812309e+00 2.50 -4.599849619e+00 -4.599849619e+00 2.52 -4.609098429e+00 -4.609098429e+00 2.54 -4.611967553e+00 -4.611967553e+00 2.56 -4.608881433e+00 -4.608881433e+00 2.58 -4.600275152e+00 -4.600275152e+00 2.60 -4.586537817e+00 -4.586537817e+00 2.62 -4.567959940e+00 -4.567959940e+00 2.64 -4.544838430e+00 -4.544838430e+00 2.66 -4.517446081e+00 -4.517446081e+00 2.68 -4.485913829e+00 -4.485913829e+00 2.70 -4.450209813e+00 -4.450209813e+00 2.72 -4.410378763e+00 -4.410378763e+00 2.74 -4.366557501e+00 -4.366557501e+00 2.76 -4.318956100e+00 -4.318956100e+00 2.78 -4.267834246e+00 -4.267834246e+00 2.80 -4.213476159e+00 -4.213476159e+00 2.82 -4.156168196e+00 -4.156168196e+00 2.84 -4.096183679e+00 -4.096183679e+00 2.86 -4.033775844e+00 -4.033775844e+00 2.88 -3.969177964e+00 -3.969177964e+00 2.90 -3.902607910e+00 -3.902607910e+00 2.92 -3.834274460e+00 -3.834274460e+00 2.94 -3.764383641e+00 -3.764383641e+00 2.96 -3.693144430e+00 -3.693144430e+00 2.98 -3.620773508e+00 -3.620773508e+00 3.00 -3.547498336e+00 -3.547498336e+00 3.02 -3.473557150e+00 -3.473557150e+00 3.04 -3.399194552e+00 -3.399194552e+00 3.06 -3.324652745e+00 -3.324652745e+00 3.08 -3.250159540e+00 -3.250159540e+00 3.10 -3.175917229e+00 -3.175917229e+00 3.12 -3.102094826e+00 -3.102094826e+00 3.14 -3.028826038e+00 -3.028826038e+00 3.16 -2.956211976e+00 -2.956211976e+00 3.18 -2.884327689e+00 -2.884327689e+00 3.20 -2.813229555e+00 -2.813229555e+00 3.22 -2.742962009e+00 -2.742962009e+00 3.24 -2.673562600e+00 -2.673562600e+00 3.26 -2.605065158e+00 -2.605065158e+00 3.28 -2.537501308e+00 -2.537501308e+00 3.30 -2.470900781e+00 -2.470900781e+00 3.32 -2.405290978e+00 -2.405290978e+00 3.34 -2.340696197e+00 -2.340696197e+00 3.36 -2.277136837e+00 -2.277136837e+00 3.38 -2.214628848e+00 -2.214628848e+00 3.40 -2.153183562e+00 -2.153183562e+00 3.42 -2.092808131e+00 -2.092808131e+00 3.44 -2.033506314e+00 -2.033506314e+00 3.46 -1.975279876e+00 -1.975279876e+00 3.48 -1.918130115e+00 -1.918130115e+00 3.50 -1.862059300e+00 -1.862059300e+00 3.52 -1.807071614e+00 -1.807071614e+00 3.54 -1.753173245e+00 -1.753173245e+00 3.56 -1.700371454e+00 -1.700371454e+00 3.58 -1.648672735e+00 -1.648672735e+00 3.60 -1.598080485e+00 -1.598080485e+00 3.62 -1.548592816e+00 -1.548592816e+00 3.64 -1.500201148e+00 -1.500201148e+00 3.66 -1.452889980e+00 -1.452889980e+00 3.68 -1.406637953e+00 -1.406637953e+00 3.70 -1.361419972e+00 -1.361419972e+00 3.72 -1.317210018e+00 -1.317210018e+00 3.74 -1.273984184e+00 -1.273984184e+00 3.76 -1.231723556e+00 -1.231723556e+00 3.78 -1.190416599e+00 -1.190416599e+00 3.80 -1.150060789e+00 -1.150060789e+00 3.82 -1.110663257e+00 -1.110663257e+00 3.84 -1.072240306e+00 -1.072240306e+00 3.86 -1.034815721e+00 -1.034815721e+00 3.88 -9.984179576e-01 -9.984179576e-01 3.90 -9.630764929e-01 -9.630764929e-01 3.92 -9.288177512e-01 -9.288177512e-01 3.94 -8.956612926e-01 -8.956612926e-01 3.96 -8.636164777e-01 -8.636164777e-01 3.98 -8.326804752e-01 -8.326804752e-01 4.00 -8.028374518e-01 -8.028374518e-01 4.02 -7.740590489e-01 -7.740590489e-01 4.04 -7.463058786e-01 -7.463058786e-01 4.06 -7.195296950e-01 -7.195296950e-01 4.08 -6.936758788e-01 -6.936758788e-01 4.10 -6.686858717e-01 -6.686858717e-01 4.12 -6.444997480e-01 -6.444997480e-01 4.14 -6.210577939e-01 -6.210577939e-01 4.16 -5.983024700e-01 -5.983024700e-01 4.18 -5.761796805e-01 -5.761796805e-01 4.20 -5.546398396e-01 -5.546398396e-01 4.22 -5.336386987e-01 -5.336386987e-01 4.24 -5.131379609e-01 -5.131379609e-01 4.26 -4.931057114e-01 -4.931057114e-01 4.28 -4.735166831e-01 -4.735166831e-01 4.30 -4.543523897e-01 -4.543523897e-01 4.32 -4.356011640e-01 -4.356011640e-01 4.34 -4.172581370e-01 -4.172581370e-01 4.36 -3.993251748e-01 -3.993251748e-01 4.38 -3.818107541e-01 -3.818107541e-01 4.40 -3.647297017e-01 -3.647297017e-01 4.42 -3.481026888e-01 -3.481026888e-01 4.44 -3.319553547e-01 -3.319553547e-01 4.46 -3.163169676e-01 -3.163169676e-01 4.48 -3.012186074e-01 -3.012186074e-01 4.50 -2.866909555e-01 -2.866909555e-01 4.52 -2.727618812e-01 -2.727618812e-01 4.54 -2.594540842e-01 -2.594540842e-01 4.56 -2.467830709e-01 -2.467830709e-01 4.58 -2.347557024e-01 -2.347557024e-01 4.60 -2.233694635e-01 -2.233694635e-01 4.62 -2.126124914e-01 -2.126124914e-01 4.64 -2.024642949e-01 -2.024642949e-01 4.66 -1.928970161e-01 -1.928970161e-01 4.68 -1.838770424e-01 -1.838770424e-01 4.70 -1.753667818e-01 -1.753667818e-01 4.72 -1.673264307e-01 -1.673264307e-01 4.74 -1.597153939e-01 -1.597153939e-01 4.76 -1.524941321e-01 -1.524941321e-01 4.78 -1.456254186e-01 -1.456254186e-01 4.80 -1.390748536e-01 -1.390748536e-01 4.82 -1.328118108e-01 -1.328118108e-01 4.84 -1.268096920e-01 -1.268096920e-01 4.86 -1.210464277e-01 -1.210464277e-01 4.88 -1.155045314e-01 -1.155045314e-01 4.90 -1.101710046e-01 -1.101710046e-01 4.92 -1.050370507e-01 -1.050370507e-01 4.94 -1.000976037e-01 -1.000976037e-01 4.96 -9.535069311e-02 -9.535069311e-02 4.98 -9.079667566e-02 -9.079667566e-02 5.00 -8.643738640e-02 -8.643738640e-02 5.02 -8.227526884e-02 -8.227526884e-02 5.04 -7.831255227e-02 -7.831255227e-02 5.06 -7.455053939e-02 -7.455053939e-02 5.08 -7.098905127e-02 -7.098905127e-02 5.10 -6.762596262e-02 -6.762596262e-02 5.12 -6.445728131e-02 -6.445728131e-02 5.14 -6.147709671e-02 -6.147709671e-02 5.16 -5.867767801e-02 -5.867767801e-02 5.18 -5.604976886e-02 -5.604976886e-02 5.20 -5.358294726e-02 -5.358294726e-02 5.22 -5.126600689e-02 -5.126600689e-02 5.24 -4.908732424e-02 -4.908732424e-02 5.26 -4.703518545e-02 -4.703518545e-02 5.28 -4.509805767e-02 -4.509805767e-02 5.30 -4.326479888e-02 -4.326479888e-02 5.32 -4.152480725e-02 -4.152480725e-02 5.34 -3.986811667e-02 -3.986811667e-02 5.36 -3.828544720e-02 -3.828544720e-02 5.38 -3.676822111e-02 -3.676822111e-02 5.40 -3.530855432e-02 -3.530855432e-02 5.42 -3.389923278e-02 -3.389923278e-02 5.44 -3.253368169e-02 -3.253368169e-02 5.46 -3.120593404e-02 -3.120593404e-02 5.48 -2.991060377e-02 -2.991060377e-02 5.50 -2.864286720e-02 -2.864286720e-02 5.52 -2.739845542e-02 -2.739845542e-02 5.54 -2.617365899e-02 -2.617365899e-02 5.56 -2.496534465e-02 -2.496534465e-02 5.58 -2.377098361e-02 -2.377098361e-02 5.60 -2.258868855e-02 -2.258868855e-02 5.62 -2.141725550e-02 -2.141725550e-02 5.64 -2.025620522e-02 -2.025620522e-02 5.66 -1.910581740e-02 -1.910581740e-02 5.68 -1.796715018e-02 -1.796715018e-02 5.70 -1.684203711e-02 -1.684203711e-02 5.72 -1.573305402e-02 -1.573305402e-02 5.74 -1.464345009e-02 -1.464345009e-02 5.76 -1.357703847e-02 -1.357703847e-02 5.78 -1.253791919e-02 -1.253791919e-02 5.80 -1.153053568e-02 -1.153053568e-02 5.82 -1.055947077e-02 -1.055947077e-02 5.84 -9.629126868e-03 -9.629126868e-03 5.86 -8.743518958e-03 -8.743518958e-03 5.88 -7.906089894e-03 -7.906089894e-03 5.90 -7.119562051e-03 -7.119562051e-03 5.92 -6.385835561e-03 -6.385835561e-03 5.94 -5.705938290e-03 -5.705938290e-03 5.96 -5.080027260e-03 -5.080027260e-03 5.98 -4.507436363e-03 -4.507436363e-03 6.00 -3.986761463e-03 -3.986761463e-03