# 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 = MoNb2W # 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 9.568821109e+02 9.568821109e+02 1.08 8.607581547e+02 8.607581547e+02 1.10 7.748805519e+02 7.748805519e+02 1.12 6.987284084e+02 6.987284084e+02 1.14 6.305438474e+02 6.305438474e+02 1.16 5.698458768e+02 5.698458768e+02 1.18 5.150599704e+02 5.150599704e+02 1.20 4.650849624e+02 4.650849624e+02 1.22 4.209945639e+02 4.209945639e+02 1.24 3.820280506e+02 3.820280506e+02 1.26 3.469309796e+02 3.469309796e+02 1.28 3.157370318e+02 3.157370318e+02 1.30 2.877554279e+02 2.877554279e+02 1.32 2.623150162e+02 2.623150162e+02 1.34 2.392902934e+02 2.392902934e+02 1.36 2.185744368e+02 2.185744368e+02 1.38 2.003802507e+02 2.003802507e+02 1.40 1.838174574e+02 1.838174574e+02 1.42 1.681708683e+02 1.681708683e+02 1.44 1.536889632e+02 1.536889632e+02 1.46 1.405052364e+02 1.405052364e+02 1.48 1.290497981e+02 1.290497981e+02 1.50 1.186524379e+02 1.186524379e+02 1.52 1.088164907e+02 1.088164907e+02 1.54 9.980718191e+01 9.980718191e+01 1.56 9.151535128e+01 9.151535128e+01 1.58 8.383522600e+01 8.383522600e+01 1.60 7.677195836e+01 7.677195836e+01 1.62 7.034784817e+01 7.034784817e+01 1.64 6.435104931e+01 6.435104931e+01 1.66 5.872899622e+01 5.872899622e+01 1.68 5.356391487e+01 5.356391487e+01 1.70 4.884248520e+01 4.884248520e+01 1.72 4.452542753e+01 4.452542753e+01 1.74 4.051245165e+01 4.051245165e+01 1.76 3.687385891e+01 3.687385891e+01 1.78 3.374587007e+01 3.374587007e+01 1.80 3.110119020e+01 3.110119020e+01 1.82 2.853760092e+01 2.853760092e+01 1.84 2.610884249e+01 2.610884249e+01 1.86 2.391419239e+01 2.391419239e+01 1.88 2.187979654e+01 2.187979654e+01 1.90 1.994250254e+01 1.994250254e+01 1.92 1.807170799e+01 1.807170799e+01 1.94 1.627083104e+01 1.627083104e+01 1.96 1.457356786e+01 1.457356786e+01 1.98 1.302631835e+01 1.302631835e+01 2.00 1.168198850e+01 1.168198850e+01 2.02 1.049268972e+01 1.049268972e+01 2.04 9.556849019e+00 9.556849019e+00 2.06 8.628322154e+00 8.628322154e+00 2.08 7.562803666e+00 7.562803666e+00 2.10 6.540104670e+00 6.540104670e+00 2.12 5.604900752e+00 5.604900752e+00 2.14 4.747237264e+00 4.747237264e+00 2.16 3.893417423e+00 3.893417423e+00 2.18 2.912973654e+00 2.912973654e+00 2.20 2.053477061e+00 2.053477061e+00 2.22 1.269437423e+00 1.269437423e+00 2.24 5.584661374e-01 5.584661374e-01 2.26 -9.649489474e-02 -9.649489474e-02 2.28 -7.058305586e-01 -7.058305586e-01 2.30 -1.272587267e+00 -1.272587267e+00 2.32 -1.794289525e+00 -1.794289525e+00 2.34 -2.522968585e+00 -2.522968585e+00 2.36 -3.282494587e+00 -3.282494587e+00 2.38 -3.947796367e+00 -3.947796367e+00 2.40 -4.466102720e+00 -4.466102720e+00 2.42 -4.817718680e+00 -4.817718680e+00 2.44 -5.055179925e+00 -5.055179925e+00 2.46 -5.282632668e+00 -5.282632668e+00 2.48 -5.561961138e+00 -5.561961138e+00 2.50 -5.823746523e+00 -5.823746523e+00 2.52 -6.085151892e+00 -6.085151892e+00 2.54 -6.333070480e+00 -6.333070480e+00 2.56 -6.586739138e+00 -6.586739138e+00 2.58 -6.834770713e+00 -6.834770713e+00 2.60 -7.057041023e+00 -7.057041023e+00 2.62 -7.241197097e+00 -7.241197097e+00 2.64 -7.382024129e+00 -7.382024129e+00 2.66 -7.488635093e+00 -7.488635093e+00 2.68 -7.565904872e+00 -7.565904872e+00 2.70 -7.627783260e+00 -7.627783260e+00 2.72 -7.678866604e+00 -7.678866604e+00 2.74 -7.718043196e+00 -7.718043196e+00 2.76 -7.744067939e+00 -7.744067939e+00 2.78 -7.759974783e+00 -7.759974783e+00 2.80 -7.768211025e+00 -7.768211025e+00 2.82 -7.763720540e+00 -7.763720540e+00 2.84 -7.749860625e+00 -7.749860625e+00 2.86 -7.724765444e+00 -7.724765444e+00 2.88 -7.686826435e+00 -7.686826435e+00 2.90 -7.640229887e+00 -7.640229887e+00 2.92 -7.594120043e+00 -7.594120043e+00 2.94 -7.548586916e+00 -7.548586916e+00 2.96 -7.508181608e+00 -7.508181608e+00 2.98 -7.463545777e+00 -7.463545777e+00 3.00 -7.424460363e+00 -7.424460363e+00 3.02 -7.395072056e+00 -7.395072056e+00 3.04 -7.376713714e+00 -7.376713714e+00 3.06 -7.366738300e+00 -7.366738300e+00 3.08 -7.352766313e+00 -7.352766313e+00 3.10 -7.320546124e+00 -7.320546124e+00 3.12 -7.255839219e+00 -7.255839219e+00 3.14 -7.156104175e+00 -7.156104175e+00 3.16 -7.017780724e+00 -7.017780724e+00 3.18 -6.842717378e+00 -6.842717378e+00 3.20 -6.656202438e+00 -6.656202438e+00 3.22 -6.497334226e+00 -6.497334226e+00 3.24 -6.406372380e+00 -6.406372380e+00 3.26 -6.355851416e+00 -6.355851416e+00 3.28 -6.297735183e+00 -6.297735183e+00 3.30 -6.227327583e+00 -6.227327583e+00 3.32 -6.138678675e+00 -6.138678675e+00 3.34 -6.026686454e+00 -6.026686454e+00 3.36 -5.898201387e+00 -5.898201387e+00 3.38 -5.760201988e+00 -5.760201988e+00 3.40 -5.617301185e+00 -5.617301185e+00 3.42 -5.473836881e+00 -5.473836881e+00 3.44 -5.332259830e+00 -5.332259830e+00 3.46 -5.194474716e+00 -5.194474716e+00 3.48 -5.060533228e+00 -5.060533228e+00 3.50 -4.932877006e+00 -4.932877006e+00 3.52 -4.815909829e+00 -4.815909829e+00 3.54 -4.714170306e+00 -4.714170306e+00 3.56 -4.632655606e+00 -4.632655606e+00 3.58 -4.570944597e+00 -4.570944597e+00 3.60 -4.522505495e+00 -4.522505495e+00 3.62 -4.479169147e+00 -4.479169147e+00 3.64 -4.432647690e+00 -4.432647690e+00 3.66 -4.380947631e+00 -4.380947631e+00 3.68 -4.326722818e+00 -4.326722818e+00 3.70 -4.270145648e+00 -4.270145648e+00 3.72 -4.211251799e+00 -4.211251799e+00 3.74 -4.149893891e+00 -4.149893891e+00 3.76 -4.084114042e+00 -4.084114042e+00 3.78 -4.011120623e+00 -4.011120623e+00 3.80 -3.928615856e+00 -3.928615856e+00 3.82 -3.827300471e+00 -3.827300471e+00 3.84 -3.705238298e+00 -3.705238298e+00 3.86 -3.564399204e+00 -3.564399204e+00 3.88 -3.408951007e+00 -3.408951007e+00 3.90 -3.244521442e+00 -3.244521442e+00 3.92 -3.073323442e+00 -3.073323442e+00 3.94 -2.899498204e+00 -2.899498204e+00 3.96 -2.730864040e+00 -2.730864040e+00 3.98 -2.574450698e+00 -2.574450698e+00 4.00 -2.433865801e+00 -2.433865801e+00 4.02 -2.308049107e+00 -2.308049107e+00 4.04 -2.196008655e+00 -2.196008655e+00 4.06 -2.098410527e+00 -2.098410527e+00 4.08 -2.013978104e+00 -2.013978104e+00 4.10 -1.939006139e+00 -1.939006139e+00 4.12 -1.872096957e+00 -1.872096957e+00 4.14 -1.815713116e+00 -1.815713116e+00 4.16 -1.771984388e+00 -1.771984388e+00 4.18 -1.741864058e+00 -1.741864058e+00 4.20 -1.725198166e+00 -1.725198166e+00 4.22 -1.722418229e+00 -1.722418229e+00 4.24 -1.731601059e+00 -1.731601059e+00 4.26 -1.749228490e+00 -1.749228490e+00 4.28 -1.772065091e+00 -1.772065091e+00 4.30 -1.797210782e+00 -1.797210782e+00 4.32 -1.822031723e+00 -1.822031723e+00 4.34 -1.844374630e+00 -1.844374630e+00 4.36 -1.864049017e+00 -1.864049017e+00 4.38 -1.881664304e+00 -1.881664304e+00 4.40 -1.897850756e+00 -1.897850756e+00 4.42 -1.913231906e+00 -1.913231906e+00 4.44 -1.928409651e+00 -1.928409651e+00 4.46 -1.943644293e+00 -1.943644293e+00 4.48 -1.958461386e+00 -1.958461386e+00 4.50 -1.972759268e+00 -1.972759268e+00 4.52 -1.986533524e+00 -1.986533524e+00 4.54 -1.999803304e+00 -1.999803304e+00 4.56 -2.012614214e+00 -2.012614214e+00 4.58 -2.025018548e+00 -2.025018548e+00 4.60 -2.036998856e+00 -2.036998856e+00 4.62 -2.047619071e+00 -2.047619071e+00 4.64 -2.055088493e+00 -2.055088493e+00 4.66 -2.057494014e+00 -2.057494014e+00 4.68 -2.052840709e+00 -2.052840709e+00 4.70 -2.039515223e+00 -2.039515223e+00 4.72 -2.016419699e+00 -2.016419699e+00 4.74 -1.982933595e+00 -1.982933595e+00 4.76 -1.941241004e+00 -1.941241004e+00 4.78 -1.894741960e+00 -1.894741960e+00 4.80 -1.846935571e+00 -1.846935571e+00 4.82 -1.800822029e+00 -1.800822029e+00 4.84 -1.759011420e+00 -1.759011420e+00 4.86 -1.724248703e+00 -1.724248703e+00 4.88 -1.698076158e+00 -1.698076158e+00 4.90 -1.678616382e+00 -1.678616382e+00 4.92 -1.663449976e+00 -1.663449976e+00 4.94 -1.651115378e+00 -1.651115378e+00 4.96 -1.640630611e+00 -1.640630611e+00 4.98 -1.630989439e+00 -1.630989439e+00 5.00 -1.621232354e+00 -1.621232354e+00 5.02 -1.611947565e+00 -1.611947565e+00 5.04 -1.604944020e+00 -1.604944020e+00 5.06 -1.599571127e+00 -1.599571127e+00 5.08 -1.594385593e+00 -1.594385593e+00 5.10 -1.587930525e+00 -1.587930525e+00 5.12 -1.578869869e+00 -1.578869869e+00 5.14 -1.565940732e+00 -1.565940732e+00 5.16 -1.547984225e+00 -1.547984225e+00 5.18 -1.525794364e+00 -1.525794364e+00 5.20 -1.500477012e+00 -1.500477012e+00 5.22 -1.473018489e+00 -1.473018489e+00 5.24 -1.444218044e+00 -1.444218044e+00 5.26 -1.414652940e+00 -1.414652940e+00 5.28 -1.385395575e+00 -1.385395575e+00 5.30 -1.358208111e+00 -1.358208111e+00 5.32 -1.334974987e+00 -1.334974987e+00 5.34 -1.317070405e+00 -1.317070405e+00 5.36 -1.304725265e+00 -1.304725265e+00 5.38 -1.296700622e+00 -1.296700622e+00 5.40 -1.287009882e+00 -1.287009882e+00 5.42 -1.274853158e+00 -1.274853158e+00 5.44 -1.260233316e+00 -1.260233316e+00 5.46 -1.243142702e+00 -1.243142702e+00 5.48 -1.223573357e+00 -1.223573357e+00 5.50 -1.201622485e+00 -1.201622485e+00 5.52 -1.177589115e+00 -1.177589115e+00 5.54 -1.152031579e+00 -1.152031579e+00 5.56 -1.125297472e+00 -1.125297472e+00 5.58 -1.097250228e+00 -1.097250228e+00 5.60 -1.067543523e+00 -1.067543523e+00 5.62 -1.035582095e+00 -1.035582095e+00 5.64 -1.000464793e+00 -1.000464793e+00 5.66 -9.608830150e-01 -9.608830150e-01 5.68 -9.159016864e-01 -9.159016864e-01 5.70 -8.685549112e-01 -8.685549112e-01 5.72 -8.245329849e-01 -8.245329849e-01 5.74 -7.874847977e-01 -7.874847977e-01 5.76 -7.613213579e-01 -7.613213579e-01 5.78 -7.498766359e-01 -7.498766359e-01 5.80 -7.566321835e-01 -7.566321835e-01 5.82 -7.818334205e-01 -7.818334205e-01 5.84 -8.189813228e-01 -8.189813228e-01 5.86 -8.610108915e-01 -8.610108915e-01 5.88 -9.017256573e-01 -9.017256573e-01 5.90 -9.357073744e-01 -9.357073744e-01 5.92 -9.579054919e-01 -9.579054919e-01 5.94 -9.631465387e-01 -9.631465387e-01 5.96 -9.489760969e-01 -9.489760969e-01 5.98 -9.159439909e-01 -9.159439909e-01 6.00 -8.642900725e-01 -8.642900725e-01