# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoNbTa2 # 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 2025-12-17 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 6.684437168e+02 6.684437168e+02 1.08 6.090105097e+02 6.090105097e+02 1.10 5.548557316e+02 5.548557316e+02 1.12 5.058695524e+02 5.058695524e+02 1.14 4.612473282e+02 4.612473282e+02 1.16 4.201251072e+02 4.201251072e+02 1.18 3.825440456e+02 3.825440456e+02 1.20 3.479859869e+02 3.479859869e+02 1.22 3.162869829e+02 3.162869829e+02 1.24 2.875987331e+02 2.875987331e+02 1.26 2.617669239e+02 2.617669239e+02 1.28 2.383870224e+02 2.383870224e+02 1.30 2.171121796e+02 2.171121796e+02 1.32 1.978126734e+02 1.978126734e+02 1.34 1.803334388e+02 1.803334388e+02 1.36 1.642940353e+02 1.642940353e+02 1.38 1.495057148e+02 1.495057148e+02 1.40 1.360362460e+02 1.360362460e+02 1.42 1.238084177e+02 1.238084177e+02 1.44 1.127767686e+02 1.127767686e+02 1.46 1.028259377e+02 1.028259377e+02 1.48 9.386340671e+01 9.386340671e+01 1.50 8.572293285e+01 8.572293285e+01 1.52 7.829836144e+01 7.829836144e+01 1.54 7.149343804e+01 7.149343804e+01 1.56 6.526969474e+01 6.526969474e+01 1.58 5.953655653e+01 5.953655653e+01 1.60 5.422754709e+01 5.422754709e+01 1.62 4.933301919e+01 4.933301919e+01 1.64 4.489651015e+01 4.489651015e+01 1.66 4.088300978e+01 4.088300978e+01 1.68 3.725669389e+01 3.725669389e+01 1.70 3.403399755e+01 3.403399755e+01 1.72 3.116300090e+01 3.116300090e+01 1.74 2.851732506e+01 2.851732506e+01 1.76 2.613955882e+01 2.613955882e+01 1.78 2.395130979e+01 2.395130979e+01 1.80 2.192120251e+01 2.192120251e+01 1.82 2.010365103e+01 2.010365103e+01 1.84 1.849898339e+01 1.849898339e+01 1.86 1.706717253e+01 1.706717253e+01 1.88 1.578434171e+01 1.578434171e+01 1.90 1.458663968e+01 1.458663968e+01 1.92 1.346840077e+01 1.346840077e+01 1.94 1.243026916e+01 1.243026916e+01 1.96 1.145588022e+01 1.145588022e+01 1.98 1.050871971e+01 1.050871971e+01 2.00 9.550566481e+00 9.550566481e+00 2.02 8.629061340e+00 8.629061340e+00 2.04 7.699860664e+00 7.699860664e+00 2.06 6.782389777e+00 6.782389777e+00 2.08 5.892002611e+00 5.892002611e+00 2.10 5.021570852e+00 5.021570852e+00 2.12 4.225716861e+00 4.225716861e+00 2.14 3.403423881e+00 3.403423881e+00 2.16 2.608672994e+00 2.608672994e+00 2.18 1.854074121e+00 1.854074121e+00 2.20 1.165810810e+00 1.165810810e+00 2.22 5.163943052e-01 5.163943052e-01 2.24 -4.298692233e-02 -4.298692233e-02 2.26 -5.873111162e-01 -5.873111162e-01 2.28 -1.165368951e+00 -1.165368951e+00 2.30 -1.672481481e+00 -1.672481481e+00 2.32 -2.147507017e+00 -2.147507017e+00 2.34 -2.666205887e+00 -2.666205887e+00 2.36 -3.164460073e+00 -3.164460073e+00 2.38 -3.629027102e+00 -3.629027102e+00 2.40 -4.061354556e+00 -4.061354556e+00 2.42 -4.473324117e+00 -4.473324117e+00 2.44 -4.858856494e+00 -4.858856494e+00 2.46 -5.199934935e+00 -5.199934935e+00 2.48 -5.496929362e+00 -5.496929362e+00 2.50 -5.768211648e+00 -5.768211648e+00 2.52 -6.015556694e+00 -6.015556694e+00 2.54 -6.241030553e+00 -6.241030553e+00 2.56 -6.445590226e+00 -6.445590226e+00 2.58 -6.628696651e+00 -6.628696651e+00 2.60 -6.790518276e+00 -6.790518276e+00 2.62 -6.931903518e+00 -6.931903518e+00 2.64 -7.066003976e+00 -7.066003976e+00 2.66 -7.195813719e+00 -7.195813719e+00 2.68 -7.307634651e+00 -7.307634651e+00 2.70 -7.408984653e+00 -7.408984653e+00 2.72 -7.501186577e+00 -7.501186577e+00 2.74 -7.580116711e+00 -7.580116711e+00 2.76 -7.642509391e+00 -7.642509391e+00 2.78 -7.685266045e+00 -7.685266045e+00 2.80 -7.715131428e+00 -7.715131428e+00 2.82 -7.735263572e+00 -7.735263572e+00 2.84 -7.746224761e+00 -7.746224761e+00 2.86 -7.747638417e+00 -7.747638417e+00 2.88 -7.734550348e+00 -7.734550348e+00 2.90 -7.700925207e+00 -7.700925207e+00 2.92 -7.649312172e+00 -7.649312172e+00 2.94 -7.589028699e+00 -7.589028699e+00 2.96 -7.527136927e+00 -7.527136927e+00 2.98 -7.466161971e+00 -7.466161971e+00 3.00 -7.403723291e+00 -7.403723291e+00 3.02 -7.335246684e+00 -7.335246684e+00 3.04 -7.255599439e+00 -7.255599439e+00 3.06 -7.164402908e+00 -7.164402908e+00 3.08 -7.067723452e+00 -7.067723452e+00 3.10 -6.974618003e+00 -6.974618003e+00 3.12 -6.883637095e+00 -6.883637095e+00 3.14 -6.790325954e+00 -6.790325954e+00 3.16 -6.696046828e+00 -6.696046828e+00 3.18 -6.598853332e+00 -6.598853332e+00 3.20 -6.500918204e+00 -6.500918204e+00 3.22 -6.409794723e+00 -6.409794723e+00 3.24 -6.334992238e+00 -6.334992238e+00 3.26 -6.266158438e+00 -6.266158438e+00 3.28 -6.193699264e+00 -6.193699264e+00 3.30 -6.116957642e+00 -6.116957642e+00 3.32 -6.036258001e+00 -6.036258001e+00 3.34 -5.951934891e+00 -5.951934891e+00 3.36 -5.864158140e+00 -5.864158140e+00 3.38 -5.772904743e+00 -5.772904743e+00 3.40 -5.678106792e+00 -5.678106792e+00 3.42 -5.580470739e+00 -5.580470739e+00 3.44 -5.481669227e+00 -5.481669227e+00 3.46 -5.383065413e+00 -5.383065413e+00 3.48 -5.286042996e+00 -5.286042996e+00 3.50 -5.192475333e+00 -5.192475333e+00 3.52 -5.104124347e+00 -5.104124347e+00 3.54 -5.020609483e+00 -5.020609483e+00 3.56 -4.939808116e+00 -4.939808116e+00 3.58 -4.860009699e+00 -4.860009699e+00 3.60 -4.780170380e+00 -4.780170380e+00 3.62 -4.700047626e+00 -4.700047626e+00 3.64 -4.619364162e+00 -4.619364162e+00 3.66 -4.537850789e+00 -4.537850789e+00 3.68 -4.455268839e+00 -4.455268839e+00 3.70 -4.370628608e+00 -4.370628608e+00 3.72 -4.282724642e+00 -4.282724642e+00 3.74 -4.193774886e+00 -4.193774886e+00 3.76 -4.109027988e+00 -4.109027988e+00 3.78 -4.034394637e+00 -4.034394637e+00 3.80 -3.976785845e+00 -3.976785845e+00 3.82 -3.918708138e+00 -3.918708138e+00 3.84 -3.847454731e+00 -3.847454731e+00 3.86 -3.762057810e+00 -3.762057810e+00 3.88 -3.664256969e+00 -3.664256969e+00 3.90 -3.559000614e+00 -3.559000614e+00 3.92 -3.451616729e+00 -3.451616729e+00 3.94 -3.340941842e+00 -3.340941842e+00 3.96 -3.225418529e+00 -3.225418529e+00 3.98 -3.104148298e+00 -3.104148298e+00 4.00 -2.979864670e+00 -2.979864670e+00 4.02 -2.858805699e+00 -2.858805699e+00 4.04 -2.745471827e+00 -2.745471827e+00 4.06 -2.642454649e+00 -2.642454649e+00 4.08 -2.549669540e+00 -2.549669540e+00 4.10 -2.464556132e+00 -2.464556132e+00 4.12 -2.385861807e+00 -2.385861807e+00 4.14 -2.312997016e+00 -2.312997016e+00 4.16 -2.245237805e+00 -2.245237805e+00 4.18 -2.183060409e+00 -2.183060409e+00 4.20 -2.127828680e+00 -2.127828680e+00 4.22 -2.081073093e+00 -2.081073093e+00 4.24 -2.042274587e+00 -2.042274587e+00 4.26 -2.009667788e+00 -2.009667788e+00 4.28 -1.981528004e+00 -1.981528004e+00 4.30 -1.956175885e+00 -1.956175885e+00 4.32 -1.931904868e+00 -1.931904868e+00 4.34 -1.907307718e+00 -1.907307718e+00 4.36 -1.882607564e+00 -1.882607564e+00 4.38 -1.858566155e+00 -1.858566155e+00 4.40 -1.836019341e+00 -1.836019341e+00 4.42 -1.815893793e+00 -1.815893793e+00 4.44 -1.799238122e+00 -1.799238122e+00 4.46 -1.786473616e+00 -1.786473616e+00 4.48 -1.776315209e+00 -1.776315209e+00 4.50 -1.767541641e+00 -1.767541641e+00 4.52 -1.758913108e+00 -1.758913108e+00 4.54 -1.749145065e+00 -1.749145065e+00 4.56 -1.736922168e+00 -1.736922168e+00 4.58 -1.721524465e+00 -1.721524465e+00 4.60 -1.703250258e+00 -1.703250258e+00 4.62 -1.682406319e+00 -1.682406319e+00 4.64 -1.659273050e+00 -1.659273050e+00 4.66 -1.634169001e+00 -1.634169001e+00 4.68 -1.607435042e+00 -1.607435042e+00 4.70 -1.579280181e+00 -1.579280181e+00 4.72 -1.549767584e+00 -1.549767584e+00 4.74 -1.519088088e+00 -1.519088088e+00 4.76 -1.488066209e+00 -1.488066209e+00 4.78 -1.457666653e+00 -1.457666653e+00 4.80 -1.428792494e+00 -1.428792494e+00 4.82 -1.402199941e+00 -1.402199941e+00 4.84 -1.378584824e+00 -1.378584824e+00 4.86 -1.358661898e+00 -1.358661898e+00 4.88 -1.342523816e+00 -1.342523816e+00 4.90 -1.328985113e+00 -1.328985113e+00 4.92 -1.316690105e+00 -1.316690105e+00 4.94 -1.304176777e+00 -1.304176777e+00 4.96 -1.289943336e+00 -1.289943336e+00 4.98 -1.272466368e+00 -1.272466368e+00 5.00 -1.250240318e+00 -1.250240318e+00 5.02 -1.223226781e+00 -1.223226781e+00 5.04 -1.192631094e+00 -1.192631094e+00 5.06 -1.159555624e+00 -1.159555624e+00 5.08 -1.125369633e+00 -1.125369633e+00 5.10 -1.091680411e+00 -1.091680411e+00 5.12 -1.060203154e+00 -1.060203154e+00 5.14 -1.032324543e+00 -1.032324543e+00 5.16 -1.007283328e+00 -1.007283328e+00 5.18 -9.834573474e-01 -9.834573474e-01 5.20 -9.592508659e-01 -9.592508659e-01 5.22 -9.331458141e-01 -9.331458141e-01 5.24 -9.037729049e-01 -9.037729049e-01 5.26 -8.700815909e-01 -8.700815909e-01 5.28 -8.331017479e-01 -8.331017479e-01 5.30 -7.959255631e-01 -7.959255631e-01 5.32 -7.590393856e-01 -7.590393856e-01 5.34 -7.229503558e-01 -7.229503558e-01 5.36 -6.908610005e-01 -6.908610005e-01 5.38 -6.657077692e-01 -6.657077692e-01 5.40 -6.396608139e-01 -6.396608139e-01 5.42 -6.122933446e-01 -6.122933446e-01 5.44 -5.840667390e-01 -5.840667390e-01 5.46 -5.555997104e-01 -5.555997104e-01 5.48 -5.276541083e-01 -5.276541083e-01 5.50 -5.010901907e-01 -5.010901907e-01 5.52 -4.768078417e-01 -4.768078417e-01 5.54 -4.556427568e-01 -4.556427568e-01 5.56 -4.379051595e-01 -4.379051595e-01 5.58 -4.234423015e-01 -4.234423015e-01 5.60 -4.119209246e-01 -4.119209246e-01 5.62 -4.029145663e-01 -4.029145663e-01 5.64 -3.959597244e-01 -3.959597244e-01 5.66 -3.905918660e-01 -3.905918660e-01 5.68 -3.864532488e-01 -3.864532488e-01 5.70 -3.835874918e-01 -3.835874918e-01 5.72 -3.821333047e-01 -3.821333047e-01 5.74 -3.822233529e-01 -3.822233529e-01 5.76 -3.839782365e-01 -3.839782365e-01 5.78 -3.874964547e-01 -3.874964547e-01 5.80 -3.928334953e-01 -3.928334953e-01 5.82 -3.996214359e-01 -3.996214359e-01 5.84 -4.068447803e-01 -4.068447803e-01 5.86 -4.135148779e-01 -4.135148779e-01 5.88 -4.187419322e-01 -4.187419322e-01 5.90 -4.217204738e-01 -4.217204738e-01 5.92 -4.216916526e-01 -4.216916526e-01 5.94 -4.179061093e-01 -4.179061093e-01 5.96 -4.098776103e-01 -4.098776103e-01 5.98 -3.972430129e-01 -3.972430129e-01 6.00 -3.795028455e-01 -3.795028455e-01