# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Co2NiTi # 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 7.283329971e+02 7.283329971e+02 1.00 6.666193017e+02 6.666193017e+02 1.02 6.089470156e+02 6.089470156e+02 1.04 5.547811711e+02 5.547811711e+02 1.06 5.031211734e+02 5.031211734e+02 1.08 4.545080139e+02 4.545080139e+02 1.10 4.093174360e+02 4.093174360e+02 1.12 3.677093579e+02 3.677093579e+02 1.14 3.296914073e+02 3.296914073e+02 1.16 2.951668306e+02 2.951668306e+02 1.18 2.639702682e+02 2.639702682e+02 1.20 2.358942274e+02 2.358942274e+02 1.22 2.107084175e+02 2.107084175e+02 1.24 1.881736262e+02 1.881736262e+02 1.26 1.680514726e+02 1.680514726e+02 1.28 1.501110446e+02 1.501110446e+02 1.30 1.341332169e+02 1.341332169e+02 1.32 1.199132558e+02 1.199132558e+02 1.34 1.072621748e+02 1.072621748e+02 1.36 9.600720096e+01 9.600720096e+01 1.38 8.599161564e+01 8.599161564e+01 1.40 7.707417650e+01 7.707417650e+01 1.42 6.912827044e+01 6.912827044e+01 1.44 6.204090568e+01 6.204090568e+01 1.46 5.571162806e+01 5.571162806e+01 1.48 5.005141498e+01 5.005141498e+01 1.50 4.498158752e+01 4.498158752e+01 1.52 4.043276929e+01 4.043276929e+01 1.54 3.634390531e+01 3.634390531e+01 1.56 3.266135252e+01 3.266135252e+01 1.58 2.933804648e+01 2.933804648e+01 1.60 2.633274280e+01 2.633274280e+01 1.62 2.360933367e+01 2.360933367e+01 1.64 2.113623498e+01 2.113623498e+01 1.66 1.888583879e+01 1.888583879e+01 1.68 1.683402765e+01 1.683402765e+01 1.70 1.495974412e+01 1.495974412e+01 1.72 1.324461051e+01 1.324461051e+01 1.74 1.167259438e+01 1.167259438e+01 1.76 1.022970971e+01 1.022970971e+01 1.78 8.903710079e+00 8.903710079e+00 1.80 7.683785230e+00 7.683785230e+00 1.82 6.560364122e+00 6.560364122e+00 1.84 5.524969861e+00 5.524969861e+00 1.86 4.570092308e+00 4.570092308e+00 1.88 3.689075700e+00 3.689075700e+00 1.90 2.876019805e+00 2.876019805e+00 1.92 2.125692714e+00 2.125692714e+00 1.94 1.433453886e+00 1.433453886e+00 1.96 7.951863222e-01 7.951863222e-01 1.98 2.072335755e-01 2.072335755e-01 2.00 -3.336961901e-01 -3.336961901e-01 2.02 -8.306217563e-01 -8.306217563e-01 2.04 -1.286324021e+00 -1.286324021e+00 2.06 -1.703398867e+00 -1.703398867e+00 2.08 -2.084293780e+00 -2.084293780e+00 2.10 -2.431317304e+00 -2.431317304e+00 2.12 -2.746646431e+00 -2.746646431e+00 2.14 -3.032333644e+00 -3.032333644e+00 2.16 -3.290313596e+00 -3.290313596e+00 2.18 -3.522409435e+00 -3.522409435e+00 2.20 -3.730338822e+00 -3.730338822e+00 2.22 -3.915719634e+00 -3.915719634e+00 2.24 -4.080075368e+00 -4.080075368e+00 2.26 -4.224840280e+00 -4.224840280e+00 2.28 -4.351364244e+00 -4.351364244e+00 2.30 -4.460917367e+00 -4.460917367e+00 2.32 -4.554694366e+00 -4.554694366e+00 2.34 -4.633818711e+00 -4.633818711e+00 2.36 -4.699346552e+00 -4.699346552e+00 2.38 -4.752270451e+00 -4.752270451e+00 2.40 -4.793522901e+00 -4.793522901e+00 2.42 -4.823979675e+00 -4.823979675e+00 2.44 -4.844462991e+00 -4.844462991e+00 2.46 -4.855744506e+00 -4.855744506e+00 2.48 -4.858548164e+00 -4.858548164e+00 2.50 -4.853552877e+00 -4.853552877e+00 2.52 -4.841395077e+00 -4.841395077e+00 2.54 -4.822671119e+00 -4.822671119e+00 2.56 -4.797939570e+00 -4.797939570e+00 2.58 -4.767723355e+00 -4.767723355e+00 2.60 -4.732511811e+00 -4.732511811e+00 2.62 -4.692762612e+00 -4.692762612e+00 2.64 -4.648903595e+00 -4.648903595e+00 2.66 -4.601334494e+00 -4.601334494e+00 2.68 -4.550428565e+00 -4.550428565e+00 2.70 -4.496534140e+00 -4.496534140e+00 2.72 -4.439976082e+00 -4.439976082e+00 2.74 -4.381057163e+00 -4.381057163e+00 2.76 -4.320059377e+00 -4.320059377e+00 2.78 -4.257245164e+00 -4.257245164e+00 2.80 -4.192858576e+00 -4.192858576e+00 2.82 -4.127126383e+00 -4.127126383e+00 2.84 -4.060259102e+00 -4.060259102e+00 2.86 -3.992451985e+00 -3.992451985e+00 2.88 -3.923885944e+00 -3.923885944e+00 2.90 -3.854728422e+00 -3.854728422e+00 2.92 -3.785134219e+00 -3.785134219e+00 2.94 -3.715246274e+00 -3.715246274e+00 2.96 -3.645196394e+00 -3.645196394e+00 2.98 -3.575105951e+00 -3.575105951e+00 3.00 -3.505086533e+00 -3.505086533e+00 3.02 -3.435240563e+00 -3.435240563e+00 3.04 -3.365661878e+00 -3.365661878e+00 3.06 -3.296436277e+00 -3.296436277e+00 3.08 -3.227642017e+00 -3.227642017e+00 3.10 -3.159350346e+00 -3.159350346e+00 3.12 -3.091625921e+00 -3.091625921e+00 3.14 -3.024527252e+00 -3.024527252e+00 3.16 -2.958107110e+00 -2.958107110e+00 3.18 -2.892412901e+00 -2.892412901e+00 3.20 -2.827487039e+00 -2.827487039e+00 3.22 -2.763367270e+00 -2.763367270e+00 3.24 -2.700087003e+00 -2.700087003e+00 3.26 -2.637675600e+00 -2.637675600e+00 3.28 -2.576158665e+00 -2.576158665e+00 3.30 -2.515558303e+00 -2.515558303e+00 3.32 -2.455893371e+00 -2.455893371e+00 3.34 -2.397179715e+00 -2.397179715e+00 3.36 -2.339430381e+00 -2.339430381e+00 3.38 -2.282655832e+00 -2.282655832e+00 3.40 -2.226864131e+00 -2.226864131e+00 3.42 -2.172061130e+00 -2.172061130e+00 3.44 -2.118250637e+00 -2.118250637e+00 3.46 -2.065434576e+00 -2.065434576e+00 3.48 -2.013613137e+00 -2.013613137e+00 3.50 -1.962784916e+00 -1.962784916e+00 3.52 -1.912947046e+00 -1.912947046e+00 3.54 -1.864095321e+00 -1.864095321e+00 3.56 -1.816224310e+00 -1.816224310e+00 3.58 -1.769327465e+00 -1.769327465e+00 3.60 -1.723397221e+00 -1.723397221e+00 3.62 -1.678425094e+00 -1.678425094e+00 3.64 -1.634401761e+00 -1.634401761e+00 3.66 -1.591317152e+00 -1.591317152e+00 3.68 -1.549160517e+00 -1.549160517e+00 3.70 -1.507920504e+00 -1.507920504e+00 3.72 -1.467585223e+00 -1.467585223e+00 3.74 -1.428142309e+00 -1.428142309e+00 3.76 -1.389578979e+00 -1.389578979e+00 3.78 -1.351882085e+00 -1.351882085e+00 3.80 -1.315038166e+00 -1.315038166e+00 3.82 -1.279033493e+00 -1.279033493e+00 3.84 -1.243854112e+00 -1.243854112e+00 3.86 -1.209485885e+00 -1.209485885e+00 3.88 -1.175914527e+00 -1.175914527e+00 3.90 -1.143125638e+00 -1.143125638e+00 3.92 -1.111104738e+00 -1.111104738e+00 3.94 -1.079837293e+00 -1.079837293e+00 3.96 -1.049308747e+00 -1.049308747e+00 3.98 -1.019504541e+00 -1.019504541e+00 4.00 -9.904101391e-01 -9.904101391e-01 4.02 -9.620110510e-01 -9.620110510e-01 4.04 -9.342928485e-01 -9.342928485e-01 4.06 -9.072411853e-01 -9.072411853e-01 4.08 -8.808418125e-01 -8.808418125e-01 4.10 -8.550805938e-01 -8.550805938e-01 4.12 -8.299435195e-01 -8.299435195e-01 4.14 -8.054167182e-01 -8.054167182e-01 4.16 -7.814864687e-01 -7.814864687e-01 4.18 -7.581392104e-01 -7.581392104e-01 4.20 -7.353615519e-01 -7.353615519e-01 4.22 -7.131402801e-01 -7.131402801e-01 4.24 -6.914623677e-01 -6.914623677e-01 4.26 -6.702973654e-01 -6.702973654e-01 4.28 -6.492272968e-01 -6.492272968e-01 4.30 -6.245703644e-01 -6.245703644e-01 4.32 -5.809376746e-01 -5.809376746e-01 4.34 -5.510920916e-01 -5.510920916e-01 4.36 -5.342423419e-01 -5.342423419e-01 4.38 -5.178039880e-01 -5.178039880e-01 4.40 -5.017668624e-01 -5.017668624e-01 4.42 -4.861209625e-01 -4.861209625e-01 4.44 -4.708564520e-01 -4.708564520e-01 4.46 -4.559636624e-01 -4.559636624e-01 4.48 -4.414330935e-01 -4.414330935e-01 4.50 -4.272554143e-01 -4.272554143e-01 4.52 -4.134214633e-01 -4.134214633e-01 4.54 -3.999222485e-01 -3.999222485e-01 4.56 -3.867489477e-01 -3.867489477e-01 4.58 -3.738929079e-01 -3.738929079e-01 4.60 -3.613456448e-01 -3.613456448e-01 4.62 -3.490988428e-01 -3.490988428e-01 4.64 -3.371443535e-01 -3.371443535e-01 4.66 -3.254741955e-01 -3.254741955e-01 4.68 -3.140805530e-01 -3.140805530e-01 4.70 -3.029557753e-01 -3.029557753e-01 4.72 -2.920923752e-01 -2.920923752e-01 4.74 -2.814830279e-01 -2.814830279e-01 4.76 -2.711205704e-01 -2.711205704e-01 4.78 -2.609979993e-01 -2.609979993e-01 4.80 -2.511084704e-01 -2.511084704e-01 4.82 -2.414452970e-01 -2.414452970e-01 4.84 -2.320019488e-01 -2.320019488e-01 4.86 -2.227720504e-01 -2.227720504e-01 4.88 -2.137493805e-01 -2.137493805e-01 4.90 -2.049278702e-01 -2.049278702e-01 4.92 -1.962326841e-01 -1.962326841e-01 4.94 -1.867708161e-01 -1.867708161e-01 4.96 -1.710424970e-01 -1.710424970e-01 4.98 -1.193147112e-01 -1.193147112e-01 5.00 -3.137973092e-22 -3.137516530e-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 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