# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Mn # implementation = 2025--Sharifi-H--Cr-Co-Mn--LAMMPS--ipr1 # composition = CoCrMn2 # 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 8.907555477e+02 8.907555477e+02 1.00 8.151246042e+02 8.151246042e+02 1.02 7.434133673e+02 7.434133673e+02 1.04 6.774610876e+02 6.774610876e+02 1.06 6.175415946e+02 6.175415946e+02 1.08 5.631015200e+02 5.631015200e+02 1.10 5.136236945e+02 5.136236945e+02 1.12 4.686315448e+02 4.686315448e+02 1.14 4.276908824e+02 4.276908824e+02 1.16 3.904092085e+02 3.904092085e+02 1.18 3.564335453e+02 3.564335453e+02 1.20 3.254474751e+02 3.254474751e+02 1.22 2.971678341e+02 2.971678341e+02 1.24 2.713413539e+02 2.713413539e+02 1.26 2.477414224e+02 2.477414224e+02 1.28 2.261650683e+02 2.261650683e+02 1.30 2.064302196e+02 2.064302196e+02 1.32 1.883728087e+02 1.883728087e+02 1.34 1.721558379e+02 1.721558379e+02 1.36 1.578981751e+02 1.578981751e+02 1.38 1.450012143e+02 1.450012143e+02 1.40 1.331051325e+02 1.331051325e+02 1.42 1.220136605e+02 1.220136605e+02 1.44 1.116263916e+02 1.116263916e+02 1.46 1.018953774e+02 1.018953774e+02 1.48 9.279822566e+01 9.279822566e+01 1.50 8.432219894e+01 8.432219894e+01 1.52 7.645547065e+01 7.645547065e+01 1.54 6.918289752e+01 6.918289752e+01 1.56 6.248451397e+01 6.248451397e+01 1.58 5.633558649e+01 5.633558649e+01 1.60 5.070745559e+01 5.070745559e+01 1.62 4.556868192e+01 4.556868192e+01 1.64 4.088622646e+01 4.088622646e+01 1.66 3.662651528e+01 3.662651528e+01 1.68 3.275632032e+01 3.275632032e+01 1.70 2.924343792e+01 2.924343792e+01 1.72 2.605717466e+01 2.605717466e+01 1.74 2.316866510e+01 2.316866510e+01 1.76 2.055105239e+01 2.055105239e+01 1.78 1.817957354e+01 1.817957354e+01 1.80 1.603154703e+01 1.603154703e+01 1.82 1.408628811e+01 1.408628811e+01 1.84 1.232500279e+01 1.232500279e+01 1.86 1.073066428e+01 1.073066428e+01 1.88 9.287877961e+00 9.287877961e+00 1.90 7.982727689e+00 7.982727689e+00 1.92 6.802604799e+00 6.802604799e+00 1.94 5.736076697e+00 5.736076697e+00 1.96 4.772768617e+00 4.772768617e+00 1.98 3.903240388e+00 3.903240388e+00 2.00 3.118898444e+00 3.118898444e+00 2.02 2.411925633e+00 2.411925633e+00 2.04 1.775216030e+00 1.775216030e+00 2.06 1.202314044e+00 1.202314044e+00 2.08 6.873560094e-01 6.873560094e-01 2.10 2.250151869e-01 2.250151869e-01 2.12 -1.895481237e-01 -1.895481237e-01 2.14 -5.607317135e-01 -5.607317135e-01 2.16 -8.925354678e-01 -8.925354678e-01 2.18 -1.188605382e+00 -1.188605382e+00 2.20 -1.452255061e+00 -1.452255061e+00 2.22 -1.686493680e+00 -1.686493680e+00 2.24 -1.894054397e+00 -1.894054397e+00 2.26 -2.077420050e+00 -2.077420050e+00 2.28 -2.238846398e+00 -2.238846398e+00 2.30 -2.380383159e+00 -2.380383159e+00 2.32 -2.503893049e+00 -2.503893049e+00 2.34 -2.611069031e+00 -2.611069031e+00 2.36 -2.703449931e+00 -2.703449931e+00 2.38 -2.782434599e+00 -2.782434599e+00 2.40 -2.849294740e+00 -2.849294740e+00 2.42 -2.905186250e+00 -2.905186250e+00 2.44 -2.951141319e+00 -2.951141319e+00 2.46 -2.988071696e+00 -2.988071696e+00 2.48 -3.016808762e+00 -3.016808762e+00 2.50 -3.038113264e+00 -3.038113264e+00 2.52 -3.052681421e+00 -3.052681421e+00 2.54 -3.061150479e+00 -3.061150479e+00 2.56 -3.064096226e+00 -3.064096226e+00 2.58 -3.062005668e+00 -3.062005668e+00 2.60 -3.055315685e+00 -3.055315685e+00 2.62 -3.044431946e+00 -3.044431946e+00 2.64 -3.029731115e+00 -3.029731115e+00 2.66 -3.011562832e+00 -3.011562832e+00 2.68 -2.990251521e+00 -2.990251521e+00 2.70 -2.966098020e+00 -2.966098020e+00 2.72 -2.939381085e+00 -2.939381085e+00 2.74 -2.910358789e+00 -2.910358789e+00 2.76 -2.879269831e+00 -2.879269831e+00 2.78 -2.846334798e+00 -2.846334798e+00 2.80 -2.811757396e+00 -2.811757396e+00 2.82 -2.775725649e+00 -2.775725649e+00 2.84 -2.738413094e+00 -2.738413094e+00 2.86 -2.699979932e+00 -2.699979932e+00 2.88 -2.660574147e+00 -2.660574147e+00 2.90 -2.620332545e+00 -2.620332545e+00 2.92 -2.579381713e+00 -2.579381713e+00 2.94 -2.537838874e+00 -2.537838874e+00 2.96 -2.495812623e+00 -2.495812623e+00 2.98 -2.453403569e+00 -2.453403569e+00 3.00 -2.410704872e+00 -2.410704872e+00 3.02 -2.367802704e+00 -2.367802704e+00 3.04 -2.324776647e+00 -2.324776647e+00 3.06 -2.281700057e+00 -2.281700057e+00 3.08 -2.238640387e+00 -2.238640387e+00 3.10 -2.195659520e+00 -2.195659520e+00 3.12 -2.152814073e+00 -2.152814073e+00 3.14 -2.110155717e+00 -2.110155717e+00 3.16 -2.067731484e+00 -2.067731484e+00 3.18 -2.025584082e+00 -2.025584082e+00 3.20 -1.983752200e+00 -1.983752200e+00 3.22 -1.942270807e+00 -1.942270807e+00 3.24 -1.901171448e+00 -1.901171448e+00 3.26 -1.860482531e+00 -1.860482531e+00 3.28 -1.820229603e+00 -1.820229603e+00 3.30 -1.780435615e+00 -1.780435615e+00 3.32 -1.741121175e+00 -1.741121175e+00 3.34 -1.702304782e+00 -1.702304782e+00 3.36 -1.664003039e+00 -1.664003039e+00 3.38 -1.626230836e+00 -1.626230836e+00 3.40 -1.589001515e+00 -1.589001515e+00 3.42 -1.552326985e+00 -1.552326985e+00 3.44 -1.516217822e+00 -1.516217822e+00 3.46 -1.480683328e+00 -1.480683328e+00 3.48 -1.445731566e+00 -1.445731566e+00 3.50 -1.411369375e+00 -1.411369375e+00 3.52 -1.377602372e+00 -1.377602372e+00 3.54 -1.344434949e+00 -1.344434949e+00 3.56 -1.311870277e+00 -1.311870277e+00 3.58 -1.279910317e+00 -1.279910317e+00 3.60 -1.248555849e+00 -1.248555849e+00 3.62 -1.217806514e+00 -1.217806514e+00 3.64 -1.187660879e+00 -1.187660879e+00 3.66 -1.158116511e+00 -1.158116511e+00 3.68 -1.129170069e+00 -1.129170069e+00 3.70 -1.100817396e+00 -1.100817396e+00 3.72 -1.073053622e+00 -1.073053622e+00 3.74 -1.045873259e+00 -1.045873259e+00 3.76 -1.019270293e+00 -1.019270293e+00 3.78 -9.932382713e-01 -9.932382713e-01 3.80 -9.677703756e-01 -9.677703756e-01 3.82 -9.428594881e-01 -9.428594881e-01 3.84 -9.184982484e-01 -9.184982484e-01 3.86 -8.946791002e-01 -8.946791002e-01 3.88 -8.713943319e-01 -8.713943319e-01 3.90 -8.486361097e-01 -8.486361097e-01 3.92 -8.263965066e-01 -8.263965066e-01 3.94 -8.046675268e-01 -8.046675268e-01 3.96 -7.834411272e-01 -7.834411272e-01 3.98 -7.627092363e-01 -7.627092363e-01 4.00 -7.424637698e-01 -7.424637698e-01 4.02 -7.226966453e-01 -7.226966453e-01 4.04 -7.033997945e-01 -7.033997945e-01 4.06 -6.845651726e-01 -6.845651726e-01 4.08 -6.661847672e-01 -6.661847672e-01 4.10 -6.482506039e-01 -6.482506039e-01 4.12 -6.307547509e-01 -6.307547509e-01 4.14 -6.136893215e-01 -6.136893215e-01 4.16 -5.970464745e-01 -5.970464745e-01 4.18 -5.808184138e-01 -5.808184138e-01 4.20 -5.649973853e-01 -5.649973853e-01 4.22 -5.495756739e-01 -5.495756739e-01 4.24 -5.345455985e-01 -5.345455985e-01 4.26 -5.198836621e-01 -5.198836621e-01 4.28 -5.052747054e-01 -5.052747054e-01 4.30 -4.899431819e-01 -4.899431819e-01 4.32 -4.738395550e-01 -4.738395550e-01 4.34 -4.601381451e-01 -4.601381451e-01 4.36 -4.475579925e-01 -4.475579925e-01 4.38 -4.353029138e-01 -4.353029138e-01 4.40 -4.233659688e-01 -4.233659688e-01 4.42 -4.117401966e-01 -4.117401966e-01 4.44 -4.004186213e-01 -4.004186213e-01 4.46 -3.893942600e-01 -3.893942600e-01 4.48 -3.786601339e-01 -3.786601339e-01 4.50 -3.682092803e-01 -3.682092803e-01 4.52 -3.580347671e-01 -3.580347671e-01 4.54 -3.481297077e-01 -3.481297077e-01 4.56 -3.384872781e-01 -3.384872781e-01 4.58 -3.291007322e-01 -3.291007322e-01 4.60 -3.199634192e-01 -3.199634192e-01 4.62 -3.110687982e-01 -3.110687982e-01 4.64 -3.024104529e-01 -3.024104529e-01 4.66 -2.939821043e-01 -2.939821043e-01 4.68 -2.857776210e-01 -2.857776210e-01 4.70 -2.777910282e-01 -2.777910282e-01 4.72 -2.700165138e-01 -2.700165138e-01 4.74 -2.624484324e-01 -2.624484324e-01 4.76 -2.550813071e-01 -2.550813071e-01 4.78 -2.479098291e-01 -2.479098291e-01 4.80 -2.409288555e-01 -2.409288555e-01 4.82 -2.341334055e-01 -2.341334055e-01 4.84 -2.275186553e-01 -2.275186553e-01 4.86 -2.210799316e-01 -2.210799316e-01 4.88 -2.148127053e-01 -2.148127053e-01 4.90 -2.087125834e-01 -2.087125834e-01 4.92 -2.021588868e-01 -2.021588868e-01 4.94 -1.875175975e-01 -1.875175975e-01 4.96 -1.469634359e-01 -1.469634359e-01 4.98 -6.815441163e-02 -6.815441163e-02 5.00 -1.826613503e-23 -1.831949343e-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