# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Mn # implementation = 2025--Sharifi-H--Ni-Co-Mn--LAMMPS--ipr1 # composition = Co2MnNi # 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 2025-07-01 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 9.576645626e+02 9.576645626e+02 1.00 8.636809624e+02 8.636809624e+02 1.02 7.761461296e+02 7.761461296e+02 1.04 6.954236327e+02 6.954236327e+02 1.06 6.215872509e+02 6.215872509e+02 1.08 5.545047639e+02 5.545047639e+02 1.10 4.939024892e+02 4.939024892e+02 1.12 4.394145087e+02 4.394145087e+02 1.14 3.906198331e+02 3.906198331e+02 1.16 3.470700983e+02 3.470700983e+02 1.18 3.083098206e+02 3.083098206e+02 1.20 2.738908799e+02 2.738908799e+02 1.22 2.433825372e+02 2.433825372e+02 1.24 2.163780248e+02 2.163780248e+02 1.26 1.924985457e+02 1.924985457e+02 1.28 1.713953271e+02 1.713953271e+02 1.30 1.527502505e+02 1.527502505e+02 1.32 1.362754521e+02 1.362754521e+02 1.34 1.217122112e+02 1.217122112e+02 1.36 1.088293647e+02 1.088293647e+02 1.38 9.742142685e+01 9.742142685e+01 1.40 8.730655762e+01 8.730655762e+01 1.42 7.832447666e+01 7.832447666e+01 1.44 7.033439579e+01 7.033439579e+01 1.46 6.321302502e+01 6.321302502e+01 1.48 5.685268278e+01 5.685268278e+01 1.50 5.115953281e+01 5.115953281e+01 1.52 4.605196156e+01 4.605196156e+01 1.54 4.145910214e+01 4.145910214e+01 1.56 3.731949537e+01 3.731949537e+01 1.58 3.357988115e+01 3.357988115e+01 1.60 3.019412906e+01 3.019412906e+01 1.62 2.712229245e+01 2.712229245e+01 1.64 2.432977471e+01 2.432977471e+01 1.66 2.178659762e+01 2.178659762e+01 1.68 1.946676306e+01 1.946676306e+01 1.70 1.734769745e+01 1.734769745e+01 1.72 1.540976754e+01 1.540976754e+01 1.74 1.363584918e+01 1.363584918e+01 1.76 1.201094573e+01 1.201094573e+01 1.78 1.052180840e+01 1.052180840e+01 1.80 9.156623722e+00 9.156623722e+00 1.82 7.904815226e+00 7.904815226e+00 1.84 6.756886717e+00 6.756886717e+00 1.86 5.704286687e+00 5.704286687e+00 1.88 4.739291967e+00 4.739291967e+00 1.90 3.854907999e+00 3.854907999e+00 1.92 3.044783356e+00 3.044783356e+00 1.94 2.303136408e+00 2.303136408e+00 1.96 1.624683857e+00 1.624683857e+00 1.98 1.004562387e+00 1.004562387e+00 2.00 4.382834492e-01 4.382834492e-01 2.02 -7.829642645e-02 -7.829642645e-02 2.04 -5.490027129e-01 -5.490027129e-01 2.06 -9.773677992e-01 -9.773677992e-01 2.08 -1.366653904e+00 -1.366653904e+00 2.10 -1.719874139e+00 -1.719874139e+00 2.12 -2.039811906e+00 -2.039811906e+00 2.14 -2.329039001e+00 -2.329039001e+00 2.16 -2.589932840e+00 -2.589932840e+00 2.18 -2.824690323e+00 -2.824690323e+00 2.20 -3.035340148e+00 -3.035340148e+00 2.22 -3.223756758e+00 -3.223756758e+00 2.24 -3.391673017e+00 -3.391673017e+00 2.26 -3.540691031e+00 -3.540691031e+00 2.28 -3.672292097e+00 -3.672292097e+00 2.30 -3.787845612e+00 -3.787845612e+00 2.32 -3.888608399e+00 -3.888608399e+00 2.34 -3.975731800e+00 -3.975731800e+00 2.36 -4.050281554e+00 -4.050281554e+00 2.38 -4.113244877e+00 -4.113244877e+00 2.40 -4.165536202e+00 -4.165536202e+00 2.42 -4.208002227e+00 -4.208002227e+00 2.44 -4.241408452e+00 -4.241408452e+00 2.46 -4.266437547e+00 -4.266437547e+00 2.48 -4.283725097e+00 -4.283725097e+00 2.50 -4.293865527e+00 -4.293865527e+00 2.52 -4.297414828e+00 -4.297414828e+00 2.54 -4.294893090e+00 -4.294893090e+00 2.56 -4.286786848e+00 -4.286786848e+00 2.58 -4.273551227e+00 -4.273551227e+00 2.60 -4.255611904e+00 -4.255611904e+00 2.62 -4.233366923e+00 -4.233366923e+00 2.64 -4.207188359e+00 -4.207188359e+00 2.66 -4.177423870e+00 -4.177423870e+00 2.68 -4.144398162e+00 -4.144398162e+00 2.70 -4.108414356e+00 -4.108414356e+00 2.72 -4.069755299e+00 -4.069755299e+00 2.74 -4.028684792e+00 -4.028684792e+00 2.76 -3.985448762e+00 -3.985448762e+00 2.78 -3.940276365e+00 -3.940276365e+00 2.80 -3.893381023e+00 -3.893381023e+00 2.82 -3.844961409e+00 -3.844961409e+00 2.84 -3.795202361e+00 -3.795202361e+00 2.86 -3.744275748e+00 -3.744275748e+00 2.88 -3.692341286e+00 -3.692341286e+00 2.90 -3.639547296e+00 -3.639547296e+00 2.92 -3.586031425e+00 -3.586031425e+00 2.94 -3.531921320e+00 -3.531921320e+00 2.96 -3.477335263e+00 -3.477335263e+00 2.98 -3.422382766e+00 -3.422382766e+00 3.00 -3.367165133e+00 -3.367165133e+00 3.02 -3.311775988e+00 -3.311775988e+00 3.04 -3.256301768e+00 -3.256301768e+00 3.06 -3.200822190e+00 -3.200822190e+00 3.08 -3.145410689e+00 -3.145410689e+00 3.10 -3.090134821e+00 -3.090134821e+00 3.12 -3.035056651e+00 -3.035056651e+00 3.14 -2.980233113e+00 -2.980233113e+00 3.16 -2.925716337e+00 -2.925716337e+00 3.18 -2.871553972e+00 -2.871553972e+00 3.20 -2.817789470e+00 -2.817789470e+00 3.22 -2.764462367e+00 -2.764462367e+00 3.24 -2.711608533e+00 -2.711608533e+00 3.26 -2.659260416e+00 -2.659260416e+00 3.28 -2.607447263e+00 -2.607447263e+00 3.30 -2.556195337e+00 -2.556195337e+00 3.32 -2.505528111e+00 -2.505528111e+00 3.34 -2.455466457e+00 -2.455466457e+00 3.36 -2.406028827e+00 -2.406028827e+00 3.38 -2.357231414e+00 -2.357231414e+00 3.40 -2.309088314e+00 -2.309088314e+00 3.42 -2.261611673e+00 -2.261611673e+00 3.44 -2.214811830e+00 -2.214811830e+00 3.46 -2.168697446e+00 -2.168697446e+00 3.48 -2.123275629e+00 -2.123275629e+00 3.50 -2.078552052e+00 -2.078552052e+00 3.52 -2.034531060e+00 -2.034531060e+00 3.54 -1.991215771e+00 -1.991215771e+00 3.56 -1.948608173e+00 -1.948608173e+00 3.58 -1.906709211e+00 -1.906709211e+00 3.60 -1.865518869e+00 -1.865518869e+00 3.62 -1.825036246e+00 -1.825036246e+00 3.64 -1.785259629e+00 -1.785259629e+00 3.66 -1.746186555e+00 -1.746186555e+00 3.68 -1.707813877e+00 -1.707813877e+00 3.70 -1.670137817e+00 -1.670137817e+00 3.72 -1.633154024e+00 -1.633154024e+00 3.74 -1.596857619e+00 -1.596857619e+00 3.76 -1.561243249e+00 -1.561243249e+00 3.78 -1.526305125e+00 -1.526305125e+00 3.80 -1.492037068e+00 -1.492037068e+00 3.82 -1.458432547e+00 -1.458432547e+00 3.84 -1.425484721e+00 -1.425484721e+00 3.86 -1.393186472e+00 -1.393186472e+00 3.88 -1.361530439e+00 -1.361530439e+00 3.90 -1.330509057e+00 -1.330509057e+00 3.92 -1.300114584e+00 -1.300114584e+00 3.94 -1.270339129e+00 -1.270339129e+00 3.96 -1.241174687e+00 -1.241174687e+00 3.98 -1.212613157e+00 -1.212613157e+00 4.00 -1.184646370e+00 -1.184646370e+00 4.02 -1.157266108e+00 -1.157266108e+00 4.04 -1.130464122e+00 -1.130464122e+00 4.06 -1.104232147e+00 -1.104232147e+00 4.08 -1.078561916e+00 -1.078561916e+00 4.10 -1.053445164e+00 -1.053445164e+00 4.12 -1.028873641e+00 -1.028873641e+00 4.14 -1.004839108e+00 -1.004839108e+00 4.16 -9.813333449e-01 -9.813333449e-01 4.18 -9.583481402e-01 -9.583481402e-01 4.20 -9.358752929e-01 -9.358752929e-01 4.22 -9.139066031e-01 -9.139066031e-01 4.24 -8.924338656e-01 -8.924338656e-01 4.26 -8.712699307e-01 -8.712699307e-01 4.28 -8.467349704e-01 -8.467349704e-01 4.30 -8.073649934e-01 -8.073649934e-01 4.32 -7.401908769e-01 -7.401908769e-01 4.34 -7.042188058e-01 -7.042188058e-01 4.36 -6.871312085e-01 -6.871312085e-01 4.38 -6.704375452e-01 -6.704375452e-01 4.40 -6.541310620e-01 -6.541310620e-01 4.42 -6.382048838e-01 -6.382048838e-01 4.44 -6.226520227e-01 -6.226520227e-01 4.46 -6.074653896e-01 -6.074653896e-01 4.48 -5.926378086e-01 -5.926378086e-01 4.50 -5.781620349e-01 -5.781620349e-01 4.52 -5.640307739e-01 -5.640307739e-01 4.54 -5.502367025e-01 -5.502367025e-01 4.56 -5.367724924e-01 -5.367724924e-01 4.58 -5.236308321e-01 -5.236308321e-01 4.60 -5.108044506e-01 -5.108044506e-01 4.62 -4.982861387e-01 -4.982861387e-01 4.64 -4.860687702e-01 -4.860687702e-01 4.66 -4.741453199e-01 -4.741453199e-01 4.68 -4.625088803e-01 -4.625088803e-01 4.70 -4.511526748e-01 -4.511526748e-01 4.72 -4.400700685e-01 -4.400700685e-01 4.74 -4.292545763e-01 -4.292545763e-01 4.76 -4.186998675e-01 -4.186998675e-01 4.78 -4.083997686e-01 -4.083997686e-01 4.80 -3.983482633e-01 -3.983482633e-01 4.82 -3.885394901e-01 -3.885394901e-01 4.84 -3.789677391e-01 -3.789677391e-01 4.86 -3.696274467e-01 -3.696274467e-01 4.88 -3.605131896e-01 -3.605131896e-01 4.90 -3.516196785e-01 -3.516196785e-01 4.92 -3.419622593e-01 -3.419622593e-01 4.94 -3.193209228e-01 -3.193209228e-01 4.96 -2.544021030e-01 -2.544021030e-01 4.98 -1.232171900e-01 -1.232171900e-01 5.00 -7.394165953e-23 -7.388307072e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00