# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Mn # implementation = 2025--Sharifi-H--Cu-Ni-Mn--LAMMPS--ipr1 # composition = Cu2MnNi # 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 9.516943174e+02 9.516943174e+02 1.00 8.811674834e+02 8.811674834e+02 1.02 8.120240412e+02 8.120240412e+02 1.04 7.454107146e+02 7.454107146e+02 1.06 6.820519640e+02 6.820519640e+02 1.08 6.223685440e+02 6.223685440e+02 1.10 5.665658892e+02 5.665658892e+02 1.12 5.146991497e+02 5.146991497e+02 1.14 4.667205529e+02 4.667205529e+02 1.16 4.225135798e+02 4.225135798e+02 1.18 3.819173709e+02 3.819173709e+02 1.20 3.447440272e+02 3.447440272e+02 1.22 3.107907808e+02 3.107907808e+02 1.24 2.798484839e+02 2.798484839e+02 1.26 2.517074945e+02 2.517074945e+02 1.28 2.261617175e+02 2.261617175e+02 1.30 2.030113435e+02 2.030113435e+02 1.32 1.820646723e+02 1.820646723e+02 1.34 1.631392957e+02 1.631392957e+02 1.36 1.460627992e+02 1.460627992e+02 1.38 1.306731287e+02 1.306731287e+02 1.40 1.168187348e+02 1.168187348e+02 1.42 1.043585386e+02 1.043585386e+02 1.44 9.316175916e+01 9.316175916e+01 1.46 8.310763657e+01 8.310763657e+01 1.48 7.408507426e+01 7.408507426e+01 1.50 6.599222109e+01 6.599222109e+01 1.52 5.873601079e+01 5.873601079e+01 1.54 5.223166792e+01 5.223166792e+01 1.56 4.640219902e+01 4.640219902e+01 1.58 4.117788085e+01 4.117788085e+01 1.60 3.649574505e+01 3.649574505e+01 1.62 3.229906543e+01 3.229906543e+01 1.64 2.853685746e+01 2.853685746e+01 1.66 2.516339733e+01 2.516339733e+01 1.68 2.213776281e+01 2.213776281e+01 1.70 1.942339719e+01 1.942339719e+01 1.72 1.698769846e+01 1.698769846e+01 1.74 1.480163558e+01 1.480163558e+01 1.76 1.283939421e+01 1.283939421e+01 1.78 1.107807767e+01 1.107807767e+01 1.80 9.497374348e+00 9.497374348e+00 1.82 8.079215554e+00 8.079215554e+00 1.84 6.807450623e+00 6.807450623e+00 1.86 5.667570083e+00 5.667570083e+00 1.88 4.646510744e+00 4.646510744e+00 1.90 3.732506538e+00 3.732506538e+00 1.92 2.914956244e+00 2.914956244e+00 1.94 2.184303737e+00 2.184303737e+00 1.96 1.531913069e+00 1.531913069e+00 1.98 9.499612992e-01 9.499612992e-01 2.00 4.313651356e-01 4.313651356e-01 2.02 -3.028405168e-02 -3.028405168e-02 2.04 -4.407800839e-01 -4.407800839e-01 2.06 -8.053569171e-01 -8.053569171e-01 2.08 -1.128739084e+00 -1.128739084e+00 2.10 -1.415187992e+00 -1.415187992e+00 2.12 -1.668544297e+00 -1.668544297e+00 2.14 -1.892266722e+00 -1.892266722e+00 2.16 -2.089467564e+00 -2.089467564e+00 2.18 -2.262945128e+00 -2.262945128e+00 2.20 -2.415213370e+00 -2.415213370e+00 2.22 -2.548528954e+00 -2.548528954e+00 2.24 -2.664919692e+00 -2.664919692e+00 2.26 -2.766211400e+00 -2.766211400e+00 2.28 -2.854038712e+00 -2.854038712e+00 2.30 -2.929792293e+00 -2.929792293e+00 2.32 -2.994553311e+00 -2.994553311e+00 2.34 -3.049283200e+00 -3.049283200e+00 2.36 -3.094861447e+00 -3.094861447e+00 2.38 -3.132092765e+00 -3.132092765e+00 2.40 -3.161713684e+00 -3.161713684e+00 2.42 -3.184386271e+00 -3.184386271e+00 2.44 -3.200665316e+00 -3.200665316e+00 2.46 -3.211051680e+00 -3.211051680e+00 2.48 -3.216012574e+00 -3.216012574e+00 2.50 -3.215983898e+00 -3.215983898e+00 2.52 -3.211372399e+00 -3.211372399e+00 2.54 -3.202557660e+00 -3.202557660e+00 2.56 -3.189893934e+00 -3.189893934e+00 2.58 -3.173711832e+00 -3.173711832e+00 2.60 -3.154319857e+00 -3.154319857e+00 2.62 -3.132005792e+00 -3.132005792e+00 2.64 -3.107037940e+00 -3.107037940e+00 2.66 -3.079666203e+00 -3.079666203e+00 2.68 -3.050123034e+00 -3.050123034e+00 2.70 -3.018624267e+00 -3.018624267e+00 2.72 -2.985369856e+00 -2.985369856e+00 2.74 -2.950544591e+00 -2.950544591e+00 2.76 -2.914318809e+00 -2.914318809e+00 2.78 -2.876849173e+00 -2.876849173e+00 2.80 -2.838279534e+00 -2.838279534e+00 2.82 -2.798741908e+00 -2.798741908e+00 2.84 -2.758357550e+00 -2.758357550e+00 2.86 -2.717238092e+00 -2.717238092e+00 2.88 -2.675486690e+00 -2.675486690e+00 2.90 -2.633199122e+00 -2.633199122e+00 2.92 -2.590464765e+00 -2.590464765e+00 2.94 -2.547367427e+00 -2.547367427e+00 2.96 -2.503985982e+00 -2.503985982e+00 2.98 -2.460394833e+00 -2.460394833e+00 3.00 -2.416664216e+00 -2.416664216e+00 3.02 -2.372842374e+00 -2.372842374e+00 3.04 -2.328784333e+00 -2.328784333e+00 3.06 -2.284514965e+00 -2.284514965e+00 3.08 -2.240896908e+00 -2.240896908e+00 3.10 -2.197438234e+00 -2.197438234e+00 3.12 -2.154175889e+00 -2.154175889e+00 3.14 -2.111153651e+00 -2.111153651e+00 3.16 -2.068411821e+00 -2.068411821e+00 3.18 -2.025987385e+00 -2.025987385e+00 3.20 -1.983914185e+00 -1.983914185e+00 3.22 -1.942223097e+00 -1.942223097e+00 3.24 -1.900942205e+00 -1.900942205e+00 3.26 -1.860096975e+00 -1.860096975e+00 3.28 -1.819710411e+00 -1.819710411e+00 3.30 -1.779803213e+00 -1.779803213e+00 3.32 -1.740393922e+00 -1.740393922e+00 3.34 -1.701499054e+00 -1.701499054e+00 3.36 -1.663133232e+00 -1.663133232e+00 3.38 -1.625309306e+00 -1.625309306e+00 3.40 -1.588038467e+00 -1.588038467e+00 3.42 -1.551330356e+00 -1.551330356e+00 3.44 -1.515193169e+00 -1.515193169e+00 3.46 -1.479633745e+00 -1.479633745e+00 3.48 -1.444657665e+00 -1.444657665e+00 3.50 -1.410269333e+00 -1.410269333e+00 3.52 -1.376472057e+00 -1.376472057e+00 3.54 -1.343268126e+00 -1.343268126e+00 3.56 -1.310658880e+00 -1.310658880e+00 3.58 -1.278644780e+00 -1.278644780e+00 3.60 -1.247225467e+00 -1.247225467e+00 3.62 -1.216399829e+00 -1.216399829e+00 3.64 -1.186166050e+00 -1.186166050e+00 3.66 -1.156521669e+00 -1.156521669e+00 3.68 -1.127463626e+00 -1.127463626e+00 3.70 -1.098988313e+00 -1.098988313e+00 3.72 -1.071091615e+00 -1.071091615e+00 3.74 -1.043768954e+00 -1.043768954e+00 3.76 -1.017015327e+00 -1.017015327e+00 3.78 -9.908253471e-01 -9.908253471e-01 3.80 -9.651932711e-01 -9.651932711e-01 3.82 -9.401130389e-01 -9.401130389e-01 3.84 -9.155783010e-01 -9.155783010e-01 3.86 -8.915824487e-01 -8.915824487e-01 3.88 -8.681186406e-01 -8.681186406e-01 3.90 -8.451798284e-01 -8.451798284e-01 3.92 -8.227587811e-01 -8.227587811e-01 3.94 -8.008481069e-01 -8.008481069e-01 3.96 -7.794402748e-01 -7.794402748e-01 3.98 -7.585276340e-01 -7.585276340e-01 4.00 -7.381024321e-01 -7.381024321e-01 4.02 -7.181568331e-01 -7.181568331e-01 4.04 -6.986829326e-01 -6.986829326e-01 4.06 -6.796727736e-01 -6.796727736e-01 4.08 -6.611183602e-01 -6.611183602e-01 4.10 -6.430116704e-01 -6.430116704e-01 4.12 -6.253446689e-01 -6.253446689e-01 4.14 -6.081093181e-01 -6.081093181e-01 4.16 -5.912975884e-01 -5.912975884e-01 4.18 -5.749014685e-01 -5.749014685e-01 4.20 -5.589129739e-01 -5.589129739e-01 4.22 -5.433241557e-01 -5.433241557e-01 4.24 -5.281271079e-01 -5.281271079e-01 4.26 -5.132343657e-01 -5.132343657e-01 4.28 -4.970469296e-01 -4.970469296e-01 4.30 -4.751381719e-01 -4.751381719e-01 4.32 -4.458388135e-01 -4.458388135e-01 4.34 -4.287239515e-01 -4.287239515e-01 4.36 -4.168366251e-01 -4.168366251e-01 4.38 -4.052517658e-01 -4.052517658e-01 4.40 -3.939629184e-01 -3.939629184e-01 4.42 -3.829637058e-01 -3.829637058e-01 4.44 -3.722478312e-01 -3.722478312e-01 4.46 -3.618090803e-01 -3.618090803e-01 4.48 -3.516413233e-01 -3.516413233e-01 4.50 -3.417385166e-01 -3.417385166e-01 4.52 -3.320947042e-01 -3.320947042e-01 4.54 -3.227040189e-01 -3.227040189e-01 4.56 -3.135606837e-01 -3.135606837e-01 4.58 -3.046590122e-01 -3.046590122e-01 4.60 -2.959934097e-01 -2.959934097e-01 4.62 -2.875583737e-01 -2.875583737e-01 4.64 -2.793484944e-01 -2.793484944e-01 4.66 -2.713584545e-01 -2.713584545e-01 4.68 -2.635830302e-01 -2.635830302e-01 4.70 -2.560170903e-01 -2.560170903e-01 4.72 -2.486555968e-01 -2.486555968e-01 4.74 -2.414936044e-01 -2.414936044e-01 4.76 -2.345262604e-01 -2.345262604e-01 4.78 -2.277488041e-01 -2.277488041e-01 4.80 -2.211565664e-01 -2.211565664e-01 4.82 -2.147449695e-01 -2.147449695e-01 4.84 -2.085095259e-01 -2.085095259e-01 4.86 -2.024458380e-01 -2.024458380e-01 4.88 -1.965495973e-01 -1.965495973e-01 4.90 -1.908165835e-01 -1.908165835e-01 4.92 -1.847812166e-01 -1.847812166e-01 4.94 -1.726940259e-01 -1.726940259e-01 4.96 -1.403654239e-01 -1.403654239e-01 4.98 -7.283243437e-02 -7.283243437e-02 5.00 -4.094898031e-23 -4.097844168e-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 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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