# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Mn # implementation = 2025--Sharifi-H--Cu-Co-Mn--LAMMPS--ipr1 # composition = CoCuMn2 # 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 1.269393429e+03 1.269393429e+03 1.00 1.154482438e+03 1.154482438e+03 1.02 1.044569407e+03 1.044569407e+03 1.04 9.412448633e+02 9.412448633e+02 1.06 8.453725917e+02 8.453725917e+02 1.08 7.573059722e+02 7.573059722e+02 1.10 6.770473466e+02 6.770473466e+02 1.12 6.043645803e+02 6.043645803e+02 1.14 5.388757556e+02 5.388757556e+02 1.16 4.801101945e+02 4.801101945e+02 1.18 4.275518403e+02 4.275518403e+02 1.20 3.806696375e+02 3.806696375e+02 1.22 3.389383275e+02 3.389383275e+02 1.24 3.018522252e+02 3.018522252e+02 1.26 2.689339016e+02 2.689339016e+02 1.28 2.397391895e+02 2.397391895e+02 1.30 2.138595615e+02 2.138595615e+02 1.32 1.909222229e+02 1.909222229e+02 1.34 1.709149089e+02 1.709149089e+02 1.36 1.537982088e+02 1.537982088e+02 1.38 1.388011851e+02 1.388011851e+02 1.40 1.254205419e+02 1.254205419e+02 1.42 1.133408300e+02 1.133408300e+02 1.44 1.023623345e+02 1.023623345e+02 1.46 9.235426924e+01 9.235426924e+01 1.48 8.322520213e+01 8.322520213e+01 1.50 7.490501303e+01 7.490501303e+01 1.52 6.733440152e+01 6.733440152e+01 1.54 6.045920128e+01 6.045920128e+01 1.56 5.422764805e+01 5.422764805e+01 1.58 4.858937159e+01 4.858937159e+01 1.60 4.349532718e+01 4.349532718e+01 1.62 3.889812732e+01 3.889812732e+01 1.64 3.475243650e+01 3.475243650e+01 1.66 3.101534515e+01 3.101534515e+01 1.68 2.764674270e+01 2.764674270e+01 1.70 2.460956803e+01 2.460956803e+01 1.72 2.186992494e+01 2.186992494e+01 1.74 1.939708095e+01 1.939708095e+01 1.76 1.716337676e+01 1.716337676e+01 1.78 1.514409689e+01 1.514409689e+01 1.80 1.331723758e+01 1.331723758e+01 1.82 1.166325271e+01 1.166325271e+01 1.84 1.016483705e+01 1.016483705e+01 1.86 8.806688990e+00 8.806688990e+00 1.88 7.575269172e+00 7.575269172e+00 1.90 6.458576950e+00 6.458576950e+00 1.92 5.445924433e+00 5.445924433e+00 1.94 4.527762500e+00 4.527762500e+00 1.96 3.695512941e+00 3.695512941e+00 1.98 2.941410995e+00 2.941410995e+00 2.00 2.258413856e+00 2.258413856e+00 2.02 1.640141205e+00 1.640141205e+00 2.04 1.080863528e+00 1.080863528e+00 2.06 5.753955389e-01 5.753955389e-01 2.08 1.190172063e-01 1.190172063e-01 2.10 -2.925692285e-01 -2.925692285e-01 2.12 -6.632781681e-01 -6.632781681e-01 2.14 -9.966758984e-01 -9.966758984e-01 2.16 -1.296015806e+00 -1.296015806e+00 2.18 -1.564274707e+00 -1.564274707e+00 2.20 -1.804166517e+00 -1.804166517e+00 2.22 -2.018163532e+00 -2.018163532e+00 2.24 -2.208518965e+00 -2.208518965e+00 2.26 -2.377287259e+00 -2.377287259e+00 2.28 -2.526342492e+00 -2.526342492e+00 2.30 -2.657395009e+00 -2.657395009e+00 2.32 -2.772006444e+00 -2.772006444e+00 2.34 -2.871603336e+00 -2.871603336e+00 2.36 -2.957489438e+00 -2.957489438e+00 2.38 -3.030856858e+00 -3.030856858e+00 2.40 -3.092796183e+00 -3.092796183e+00 2.42 -3.144293040e+00 -3.144293040e+00 2.44 -3.186179662e+00 -3.186179662e+00 2.46 -3.219184487e+00 -3.219184487e+00 2.48 -3.243986113e+00 -3.243986113e+00 2.50 -3.261219569e+00 -3.261219569e+00 2.52 -3.271479293e+00 -3.271479293e+00 2.54 -3.275321849e+00 -3.275321849e+00 2.56 -3.273268411e+00 -3.273268411e+00 2.58 -3.265807007e+00 -3.265807007e+00 2.60 -3.253394538e+00 -3.253394538e+00 2.62 -3.236458612e+00 -3.236458612e+00 2.64 -3.215399153e+00 -3.215399153e+00 2.66 -3.190589845e+00 -3.190589845e+00 2.68 -3.162379412e+00 -3.162379412e+00 2.70 -3.131092764e+00 -3.131092764e+00 2.72 -3.097032051e+00 -3.097032051e+00 2.74 -3.060477668e+00 -3.060477668e+00 2.76 -3.021689267e+00 -3.021689267e+00 2.78 -2.980906809e+00 -2.980906809e+00 2.80 -2.938351706e+00 -2.938351706e+00 2.82 -2.894228057e+00 -2.894228057e+00 2.84 -2.848723978e+00 -2.848723978e+00 2.86 -2.802012982e+00 -2.802012982e+00 2.88 -2.754255364e+00 -2.754255364e+00 2.90 -2.705599518e+00 -2.705599518e+00 2.92 -2.656183147e+00 -2.656183147e+00 2.94 -2.606134286e+00 -2.606134286e+00 2.96 -2.555572159e+00 -2.555572159e+00 2.98 -2.504607828e+00 -2.504607828e+00 3.00 -2.453344684e+00 -2.453344684e+00 3.02 -2.401913327e+00 -2.401913327e+00 3.04 -2.350812849e+00 -2.350812849e+00 3.06 -2.300219100e+00 -2.300219100e+00 3.08 -2.248603548e+00 -2.248603548e+00 3.10 -2.197085281e+00 -2.197085281e+00 3.12 -2.145747548e+00 -2.145747548e+00 3.14 -2.094647096e+00 -2.094647096e+00 3.16 -2.043835110e+00 -2.043835110e+00 3.18 -1.993357539e+00 -1.993357539e+00 3.20 -1.943255441e+00 -1.943255441e+00 3.22 -1.893565338e+00 -1.893565338e+00 3.24 -1.844319578e+00 -1.844319578e+00 3.26 -1.795546698e+00 -1.795546698e+00 3.28 -1.747271790e+00 -1.747271790e+00 3.30 -1.699516862e+00 -1.699516862e+00 3.32 -1.652301201e+00 -1.652301201e+00 3.34 -1.605641719e+00 -1.605641719e+00 3.36 -1.559553305e+00 -1.559553305e+00 3.38 -1.514049146e+00 -1.514049146e+00 3.40 -1.469141045e+00 -1.469141045e+00 3.42 -1.424839711e+00 -1.424839711e+00 3.44 -1.381155035e+00 -1.381155035e+00 3.46 -1.338096348e+00 -1.338096348e+00 3.48 -1.295672657e+00 -1.295672657e+00 3.50 -1.253892880e+00 -1.253892880e+00 3.52 -1.212766067e+00 -1.212766067e+00 3.54 -1.172301622e+00 -1.172301622e+00 3.56 -1.132509525e+00 -1.132509525e+00 3.58 -1.093400547e+00 -1.093400547e+00 3.60 -1.054986466e+00 -1.054986466e+00 3.62 -1.017280260e+00 -1.017280260e+00 3.64 -9.802962682e-01 -9.802962682e-01 3.66 -9.440503178e-01 -9.440503178e-01 3.68 -9.085597748e-01 -9.085597748e-01 3.70 -8.738435217e-01 -8.738435217e-01 3.72 -8.399218361e-01 -8.399218361e-01 3.74 -8.068161600e-01 -8.068161600e-01 3.76 -7.745487548e-01 -7.745487548e-01 3.78 -7.431422403e-01 -7.431422403e-01 3.80 -7.126190270e-01 -7.126190270e-01 3.82 -6.830006600e-01 -6.830006600e-01 3.84 -6.543070975e-01 -6.543070975e-01 3.86 -6.265559599e-01 -6.265559599e-01 3.88 -5.997617844e-01 -5.997617844e-01 3.90 -5.739353283e-01 -5.739353283e-01 3.92 -5.490829602e-01 -5.490829602e-01 3.94 -5.252061761e-01 -5.252061761e-01 3.96 -5.023012704e-01 -5.023012704e-01 3.98 -4.803591829e-01 -4.803591829e-01 4.00 -4.593655313e-01 -4.593655313e-01 4.02 -4.393008276e-01 -4.393008276e-01 4.04 -4.201408652e-01 -4.201408652e-01 4.06 -4.018572535e-01 -4.018572535e-01 4.08 -3.844180694e-01 -3.844180694e-01 4.10 -3.677885895e-01 -3.677885895e-01 4.12 -3.519320651e-01 -3.519320651e-01 4.14 -3.368105020e-01 -3.368105020e-01 4.16 -3.223854115e-01 -3.223854115e-01 4.18 -3.086185021e-01 -3.086185021e-01 4.20 -2.954722902e-01 -2.954722902e-01 4.22 -2.829106120e-01 -2.829106120e-01 4.24 -2.708990287e-01 -2.708990287e-01 4.26 -2.593526517e-01 -2.593526517e-01 4.28 -2.471765477e-01 -2.471765477e-01 4.30 -2.304519820e-01 -2.304519820e-01 4.32 -2.005567958e-01 -2.005567958e-01 4.34 -1.816682596e-01 -1.816682596e-01 4.36 -1.738092869e-01 -1.738092869e-01 4.38 -1.662652551e-01 -1.662652551e-01 4.40 -1.590205982e-01 -1.590205982e-01 4.42 -1.520612424e-01 -1.520612424e-01 4.44 -1.453744072e-01 -1.453744072e-01 4.46 -1.389484156e-01 -1.389484156e-01 4.48 -1.327725198e-01 -1.327725198e-01 4.50 -1.268367465e-01 -1.268367465e-01 4.52 -1.211317653e-01 -1.211317653e-01 4.54 -1.156487796e-01 -1.156487796e-01 4.56 -1.103794396e-01 -1.103794396e-01 4.58 -1.053157751e-01 -1.053157751e-01 4.60 -1.004501458e-01 -1.004501458e-01 4.62 -9.577520629e-02 -9.577520629e-02 4.64 -9.128388107e-02 -9.128388107e-02 4.66 -8.696934924e-02 -8.696934924e-02 4.68 -8.282503419e-02 -8.282503419e-02 4.70 -7.884459715e-02 -7.884459715e-02 4.72 -7.502193271e-02 -7.502193271e-02 4.74 -7.135116500e-02 -7.135116500e-02 4.76 -6.782664374e-02 -6.782664374e-02 4.78 -6.444293957e-02 -6.444293957e-02 4.80 -6.119483833e-02 -6.119483833e-02 4.82 -5.807733442e-02 -5.807733442e-02 4.84 -5.508562315e-02 -5.508562315e-02 4.86 -5.221509225e-02 -5.221509225e-02 4.88 -4.946131292e-02 -4.946131292e-02 4.90 -4.682003055e-02 -4.682003055e-02 4.92 -4.414629381e-02 -4.414629381e-02 4.94 -3.975372435e-02 -3.975372435e-02 4.96 -2.999121942e-02 -2.999121942e-02 4.98 -1.307137943e-02 -1.307137943e-02 5.00 -2.886808436e-23 -2.888608499e-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