# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = CuNi2Ti # 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 2026-08-31 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 3.238161508e+02 3.238161508e+02 1.00 3.020983166e+02 3.020983166e+02 1.02 2.817468417e+02 2.817468417e+02 1.04 2.626786524e+02 2.626786524e+02 1.06 2.448156014e+02 2.448156014e+02 1.08 2.280841817e+02 2.280841817e+02 1.10 2.124152571e+02 2.124152571e+02 1.12 1.977438080e+02 1.977438080e+02 1.14 1.840086920e+02 1.840086920e+02 1.16 1.711524172e+02 1.711524172e+02 1.18 1.591209293e+02 1.591209293e+02 1.20 1.478634105e+02 1.478634105e+02 1.22 1.373320900e+02 1.373320900e+02 1.24 1.274820654e+02 1.274820654e+02 1.26 1.182711342e+02 1.182711342e+02 1.28 1.096596350e+02 1.096596350e+02 1.30 1.016102980e+02 1.016102980e+02 1.32 9.408810418e+01 9.408810418e+01 1.34 8.706015213e+01 8.706015213e+01 1.36 8.049553329e+01 8.049553329e+01 1.38 7.436521376e+01 7.436521376e+01 1.40 6.864192337e+01 6.864192337e+01 1.42 6.330005106e+01 6.330005106e+01 1.44 5.831554626e+01 5.831554626e+01 1.46 5.366582621e+01 5.366582621e+01 1.48 4.932968847e+01 4.932968847e+01 1.50 4.528722864e+01 4.528722864e+01 1.52 4.151976291e+01 4.151976291e+01 1.54 3.800975508e+01 3.800975508e+01 1.56 3.474074784e+01 3.474074784e+01 1.58 3.169729816e+01 3.169729816e+01 1.60 2.886491639e+01 2.886491639e+01 1.62 2.623000897e+01 2.623000897e+01 1.64 2.377982455e+01 2.377982455e+01 1.66 2.150240318e+01 2.150240318e+01 1.68 1.938652860e+01 1.938652860e+01 1.70 1.742168327e+01 1.742168327e+01 1.72 1.559800612e+01 1.559800612e+01 1.74 1.390625274e+01 1.390625274e+01 1.76 1.233775799e+01 1.233775799e+01 1.78 1.088440073e+01 1.088440073e+01 1.80 9.538570785e+00 9.538570785e+00 1.82 8.293137711e+00 8.293137711e+00 1.84 7.141421556e+00 7.141421556e+00 1.86 6.077165299e+00 6.077165299e+00 1.88 5.094508914e+00 5.094508914e+00 1.90 4.187965036e+00 4.187965036e+00 1.92 3.352396047e+00 3.352396047e+00 1.94 2.582992529e+00 2.582992529e+00 1.96 1.875253046e+00 1.875253046e+00 1.98 1.224965095e+00 1.224965095e+00 2.00 6.281872214e-01 6.281872214e-01 2.02 8.123222459e-02 8.123222459e-02 2.04 -4.193486535e-01 -4.193486535e-01 2.06 -8.767805646e-01 -8.767805646e-01 2.08 -1.294078994e+00 -1.294078994e+00 2.10 -1.674062875e+00 -1.674062875e+00 2.12 -2.019366889e+00 -2.019366889e+00 2.14 -2.332453021e+00 -2.332453021e+00 2.16 -2.615621432e+00 -2.615621432e+00 2.18 -2.871020638e+00 -2.871020638e+00 2.20 -3.100657096e+00 -3.100657096e+00 2.22 -3.306404193e+00 -3.306404193e+00 2.24 -3.490010678e+00 -3.490010678e+00 2.26 -3.653108590e+00 -3.653108590e+00 2.28 -3.797220695e+00 -3.797220695e+00 2.30 -3.923767457e+00 -3.923767457e+00 2.32 -4.034073595e+00 -4.034073595e+00 2.34 -4.129374218e+00 -4.129374218e+00 2.36 -4.210820596e+00 -4.210820596e+00 2.38 -4.279485562e+00 -4.279485562e+00 2.40 -4.336368584e+00 -4.336368584e+00 2.42 -4.382400520e+00 -4.382400520e+00 2.44 -4.418448080e+00 -4.418448080e+00 2.46 -4.445318001e+00 -4.445318001e+00 2.48 -4.463760967e+00 -4.463760967e+00 2.50 -4.474475285e+00 -4.474475285e+00 2.52 -4.478110323e+00 -4.478110323e+00 2.54 -4.475269738e+00 -4.475269738e+00 2.56 -4.466514492e+00 -4.466514492e+00 2.58 -4.452365687e+00 -4.452365687e+00 2.60 -4.433307216e+00 -4.433307216e+00 2.62 -4.409788238e+00 -4.409788238e+00 2.64 -4.382225510e+00 -4.382225510e+00 2.66 -4.351005557e+00 -4.351005557e+00 2.68 -4.316486708e+00 -4.316486708e+00 2.70 -4.279001003e+00 -4.279001003e+00 2.72 -4.238855975e+00 -4.238855975e+00 2.74 -4.196336315e+00 -4.196336315e+00 2.76 -4.151705434e+00 -4.151705434e+00 2.78 -4.105206920e+00 -4.105206920e+00 2.80 -4.057065901e+00 -4.057065901e+00 2.82 -4.007490320e+00 -4.007490320e+00 2.84 -3.956672125e+00 -3.956672125e+00 2.86 -3.904788382e+00 -3.904788382e+00 2.88 -3.852002315e+00 -3.852002315e+00 2.90 -3.798464275e+00 -3.798464275e+00 2.92 -3.744312650e+00 -3.744312650e+00 2.94 -3.689674706e+00 -3.689674706e+00 2.96 -3.634667381e+00 -3.634667381e+00 2.98 -3.579398022e+00 -3.579398022e+00 3.00 -3.523965068e+00 -3.523965068e+00 3.02 -3.468302077e+00 -3.468302077e+00 3.04 -3.410651235e+00 -3.410651235e+00 3.06 -3.350667488e+00 -3.350667488e+00 3.08 -3.295764248e+00 -3.295764248e+00 3.10 -3.241152955e+00 -3.241152955e+00 3.12 -3.186795954e+00 -3.186795954e+00 3.14 -3.132745668e+00 -3.132745668e+00 3.16 -3.079049666e+00 -3.079049666e+00 3.18 -3.025751031e+00 -3.025751031e+00 3.20 -2.972888696e+00 -2.972888696e+00 3.22 -2.920497759e+00 -2.920497759e+00 3.24 -2.868609772e+00 -2.868609772e+00 3.26 -2.817253018e+00 -2.817253018e+00 3.28 -2.766452757e+00 -2.766452757e+00 3.30 -2.716231466e+00 -2.716231466e+00 3.32 -2.666609054e+00 -2.666609054e+00 3.34 -2.617603063e+00 -2.617603063e+00 3.36 -2.569228860e+00 -2.569228860e+00 3.38 -2.521499803e+00 -2.521499803e+00 3.40 -2.474427414e+00 -2.474427414e+00 3.42 -2.428021515e+00 -2.428021515e+00 3.44 -2.382290377e+00 -2.382290377e+00 3.46 -2.337240843e+00 -2.337240843e+00 3.48 -2.292878449e+00 -2.292878449e+00 3.50 -2.249207529e+00 -2.249207529e+00 3.52 -2.206231324e+00 -2.206231324e+00 3.54 -2.163952067e+00 -2.163952067e+00 3.56 -2.122371075e+00 -2.122371075e+00 3.58 -2.081488828e+00 -2.081488828e+00 3.60 -2.041305040e+00 -2.041305040e+00 3.62 -2.001818726e+00 -2.001818726e+00 3.64 -1.963028268e+00 -1.963028268e+00 3.66 -1.924931468e+00 -1.924931468e+00 3.68 -1.887525600e+00 -1.887525600e+00 3.70 -1.850807462e+00 -1.850807462e+00 3.72 -1.814773413e+00 -1.814773413e+00 3.74 -1.779419419e+00 -1.779419419e+00 3.76 -1.744741084e+00 -1.744741084e+00 3.78 -1.710733685e+00 -1.710733685e+00 3.80 -1.677392203e+00 -1.677392203e+00 3.82 -1.644711347e+00 -1.644711347e+00 3.84 -1.612685577e+00 -1.612685577e+00 3.86 -1.581309129e+00 -1.581309129e+00 3.88 -1.550576032e+00 -1.550576032e+00 3.90 -1.520480123e+00 -1.520480123e+00 3.92 -1.491015062e+00 -1.491015062e+00 3.94 -1.462174348e+00 -1.462174348e+00 3.96 -1.433951323e+00 -1.433951323e+00 3.98 -1.406339186e+00 -1.406339186e+00 4.00 -1.379330998e+00 -1.379330998e+00 4.02 -1.352919688e+00 -1.352919688e+00 4.04 -1.327098056e+00 -1.327098056e+00 4.06 -1.301858775e+00 -1.301858775e+00 4.08 -1.277194396e+00 -1.277194396e+00 4.10 -1.253097342e+00 -1.253097342e+00 4.12 -1.229559915e+00 -1.229559915e+00 4.14 -1.206574284e+00 -1.206574284e+00 4.16 -1.184132491e+00 -1.184132491e+00 4.18 -1.162226441e+00 -1.162226441e+00 4.20 -1.140847901e+00 -1.140847901e+00 4.22 -1.119988492e+00 -1.119988492e+00 4.24 -1.099639686e+00 -1.099639686e+00 4.26 -1.079787984e+00 -1.079787984e+00 4.28 -1.060429169e+00 -1.060429169e+00 4.30 -1.040957379e+00 -1.040957379e+00 4.32 -1.016089253e+00 -1.016089253e+00 4.34 -9.964797631e-01 -9.964797631e-01 4.36 -9.815475484e-01 -9.815475484e-01 4.38 -9.669392700e-01 -9.669392700e-01 4.40 -9.526439673e-01 -9.526439673e-01 4.42 -9.386505449e-01 -9.386505449e-01 4.44 -9.249477976e-01 -9.249477976e-01 4.46 -9.115244391e-01 -9.115244391e-01 4.48 -8.983691333e-01 -8.983691333e-01 4.50 -8.854705287e-01 -8.854705287e-01 4.52 -8.728172967e-01 -8.728172967e-01 4.54 -8.603981727e-01 -8.603981727e-01 4.56 -8.482019997e-01 -8.482019997e-01 4.58 -8.362177759e-01 -8.362177759e-01 4.60 -8.244347039e-01 -8.244347039e-01 4.62 -8.128422421e-01 -8.128422421e-01 4.64 -8.014301581e-01 -8.014301581e-01 4.66 -7.901885824e-01 -7.901885824e-01 4.68 -7.791080621e-01 -7.791080621e-01 4.70 -7.681796136e-01 -7.681796136e-01 4.72 -7.573947731e-01 -7.573947731e-01 4.74 -7.467456437e-01 -7.467456437e-01 4.76 -7.362249377e-01 -7.362249377e-01 4.78 -7.258260130e-01 -7.258260130e-01 4.80 -7.155429025e-01 -7.155429025e-01 4.82 -7.053703351e-01 -7.053703351e-01 4.84 -6.953037477e-01 -6.953037477e-01 4.86 -6.853392866e-01 -6.853392866e-01 4.88 -6.754738000e-01 -6.754738000e-01 4.90 -6.657048185e-01 -6.657048185e-01 4.92 -6.551756293e-01 -6.551756293e-01 4.94 -6.326716504e-01 -6.326716504e-01 4.96 -5.620864623e-01 -5.620864623e-01 4.98 -3.556074410e-01 -3.556074410e-01 5.00 -3.164458781e-22 -3.162909915e-22 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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