# 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 = MoNbW2 # 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 4.067336368e+02 4.067336368e+02 1.08 3.718139051e+02 3.718139051e+02 1.10 3.401572063e+02 3.401572063e+02 1.12 3.121951195e+02 3.121951195e+02 1.14 2.873962394e+02 2.873962394e+02 1.16 2.657398328e+02 2.657398328e+02 1.18 2.457461687e+02 2.457461687e+02 1.20 2.265777576e+02 2.265777576e+02 1.22 2.097779896e+02 2.097779896e+02 1.24 1.952254647e+02 1.952254647e+02 1.26 1.819717619e+02 1.819717619e+02 1.28 1.703866206e+02 1.703866206e+02 1.30 1.600899259e+02 1.600899259e+02 1.32 1.503732763e+02 1.503732763e+02 1.34 1.413298480e+02 1.413298480e+02 1.36 1.329962740e+02 1.329962740e+02 1.38 1.258515947e+02 1.258515947e+02 1.40 1.192907455e+02 1.192907455e+02 1.42 1.127301967e+02 1.127301967e+02 1.44 1.063443841e+02 1.063443841e+02 1.46 1.002545323e+02 1.002545323e+02 1.48 9.484847392e+01 9.484847392e+01 1.50 8.985788455e+01 8.985788455e+01 1.52 8.477692945e+01 8.477692945e+01 1.54 7.991358739e+01 7.991358739e+01 1.56 7.527943203e+01 7.527943203e+01 1.58 7.086886234e+01 7.086886234e+01 1.60 6.673487426e+01 6.673487426e+01 1.62 6.283629176e+01 6.283629176e+01 1.64 5.895504657e+01 5.895504657e+01 1.66 5.518785873e+01 5.518785873e+01 1.68 5.175446642e+01 5.175446642e+01 1.70 4.860009144e+01 4.860009144e+01 1.72 4.560353078e+01 4.560353078e+01 1.74 4.269446530e+01 4.269446530e+01 1.76 4.001420293e+01 4.001420293e+01 1.78 3.762843506e+01 3.762843506e+01 1.80 3.550508702e+01 3.550508702e+01 1.82 3.334329122e+01 3.334329122e+01 1.84 3.122060059e+01 3.122060059e+01 1.86 2.923060796e+01 2.923060796e+01 1.88 2.729600378e+01 2.729600378e+01 1.90 2.534941569e+01 2.534941569e+01 1.92 2.334845605e+01 2.334845605e+01 1.94 2.129741840e+01 2.129741840e+01 1.96 1.923340076e+01 1.923340076e+01 1.98 1.725697157e+01 1.725697157e+01 2.00 1.543725563e+01 1.543725563e+01 2.02 1.381402560e+01 1.381402560e+01 2.04 1.243941326e+01 1.243941326e+01 2.06 1.113602505e+01 1.113602505e+01 2.08 9.751991822e+00 9.751991822e+00 2.10 8.434826159e+00 8.434826159e+00 2.12 7.215501970e+00 7.215501970e+00 2.14 6.089566705e+00 6.089566705e+00 2.16 5.045903964e+00 5.045903964e+00 2.18 4.071455513e+00 4.071455513e+00 2.20 3.158703624e+00 3.158703624e+00 2.22 2.313677411e+00 2.313677411e+00 2.24 1.543778735e+00 1.543778735e+00 2.26 8.501466584e-01 8.501466584e-01 2.28 2.219772378e-01 2.219772378e-01 2.30 -3.577812714e-01 -3.577812714e-01 2.32 -1.015111862e+00 -1.015111862e+00 2.34 -2.048076281e+00 -2.048076281e+00 2.36 -3.077749028e+00 -3.077749028e+00 2.38 -3.924888137e+00 -3.924888137e+00 2.40 -4.572824567e+00 -4.572824567e+00 2.42 -5.025223344e+00 -5.025223344e+00 2.44 -5.330160533e+00 -5.330160533e+00 2.46 -5.599807654e+00 -5.599807654e+00 2.48 -5.908320514e+00 -5.908320514e+00 2.50 -6.203462041e+00 -6.203462041e+00 2.52 -6.499963514e+00 -6.499963514e+00 2.54 -6.761239971e+00 -6.761239971e+00 2.56 -7.046056840e+00 -7.046056840e+00 2.58 -7.320149736e+00 -7.320149736e+00 2.60 -7.554793547e+00 -7.554793547e+00 2.62 -7.735434305e+00 -7.735434305e+00 2.64 -7.851505688e+00 -7.851505688e+00 2.66 -7.925652913e+00 -7.925652913e+00 2.68 -7.974435195e+00 -7.974435195e+00 2.70 -8.012911957e+00 -8.012911957e+00 2.72 -8.045163725e+00 -8.045163725e+00 2.74 -8.067967541e+00 -8.067967541e+00 2.76 -8.080996886e+00 -8.080996886e+00 2.78 -8.085066384e+00 -8.085066384e+00 2.80 -8.078881491e+00 -8.078881491e+00 2.82 -8.057810273e+00 -8.057810273e+00 2.84 -8.016484924e+00 -8.016484924e+00 2.86 -7.958422044e+00 -7.958422044e+00 2.88 -7.892196934e+00 -7.892196934e+00 2.90 -7.823470430e+00 -7.823470430e+00 2.92 -7.750719948e+00 -7.750719948e+00 2.94 -7.665405580e+00 -7.665405580e+00 2.96 -7.559847279e+00 -7.559847279e+00 2.98 -7.435990125e+00 -7.435990125e+00 3.00 -7.315291326e+00 -7.315291326e+00 3.02 -7.219233198e+00 -7.219233198e+00 3.04 -7.164150507e+00 -7.164150507e+00 3.06 -7.140832045e+00 -7.140832045e+00 3.08 -7.124581421e+00 -7.124581421e+00 3.10 -7.091988908e+00 -7.091988908e+00 3.12 -7.018131380e+00 -7.018131380e+00 3.14 -6.901175612e+00 -6.901175612e+00 3.16 -6.753968776e+00 -6.753968776e+00 3.18 -6.588155333e+00 -6.588155333e+00 3.20 -6.423441014e+00 -6.423441014e+00 3.22 -6.278637352e+00 -6.278637352e+00 3.24 -6.187147152e+00 -6.187147152e+00 3.26 -6.110392204e+00 -6.110392204e+00 3.28 -6.033043168e+00 -6.033043168e+00 3.30 -5.951301795e+00 -5.951301795e+00 3.32 -5.858993840e+00 -5.858993840e+00 3.34 -5.758698664e+00 -5.758698664e+00 3.36 -5.679359260e+00 -5.679359260e+00 3.38 -5.601925335e+00 -5.601925335e+00 3.40 -5.505603514e+00 -5.505603514e+00 3.42 -5.365613320e+00 -5.365613320e+00 3.44 -5.235896271e+00 -5.235896271e+00 3.46 -5.115873430e+00 -5.115873430e+00 3.48 -5.000162641e+00 -5.000162641e+00 3.50 -4.889832571e+00 -4.889832571e+00 3.52 -4.791476789e+00 -4.791476789e+00 3.54 -4.713375248e+00 -4.713375248e+00 3.56 -4.666244592e+00 -4.666244592e+00 3.58 -4.649370582e+00 -4.649370582e+00 3.60 -4.648890751e+00 -4.648890751e+00 3.62 -4.649870921e+00 -4.649870921e+00 3.64 -4.637548495e+00 -4.637548495e+00 3.66 -4.607934664e+00 -4.607934664e+00 3.68 -4.568561667e+00 -4.568561667e+00 3.70 -4.524777746e+00 -4.524777746e+00 3.72 -4.481980580e+00 -4.481980580e+00 3.74 -4.440347547e+00 -4.440347547e+00 3.76 -4.389320521e+00 -4.389320521e+00 3.78 -4.316428602e+00 -4.316428602e+00 3.80 -4.212442379e+00 -4.212442379e+00 3.82 -4.071136924e+00 -4.071136924e+00 3.84 -3.890675620e+00 -3.890675620e+00 3.86 -3.667173111e+00 -3.667173111e+00 3.88 -3.429132072e+00 -3.429132072e+00 3.90 -3.186952316e+00 -3.186952316e+00 3.92 -2.953511605e+00 -2.953511605e+00 3.94 -2.742701540e+00 -2.742701540e+00 3.96 -2.555662101e+00 -2.555662101e+00 3.98 -2.398242069e+00 -2.398242069e+00 4.00 -2.272109976e+00 -2.272109976e+00 4.02 -2.167836004e+00 -2.167836004e+00 4.04 -2.075977072e+00 -2.075977072e+00 4.06 -1.992544814e+00 -1.992544814e+00 4.08 -1.919950374e+00 -1.919950374e+00 4.10 -1.859275695e+00 -1.859275695e+00 4.12 -1.811125370e+00 -1.811125370e+00 4.14 -1.767966219e+00 -1.767966219e+00 4.16 -1.721122760e+00 -1.721122760e+00 4.18 -1.672857151e+00 -1.672857151e+00 4.20 -1.631587951e+00 -1.631587951e+00 4.22 -1.607452511e+00 -1.607452511e+00 4.24 -1.605555164e+00 -1.605555164e+00 4.26 -1.625357053e+00 -1.625357053e+00 4.28 -1.662989098e+00 -1.662989098e+00 4.30 -1.712654620e+00 -1.712654620e+00 4.32 -1.768100895e+00 -1.768100895e+00 4.34 -1.823843748e+00 -1.823843748e+00 4.36 -1.876238332e+00 -1.876238332e+00 4.38 -1.923353820e+00 -1.923353820e+00 4.40 -1.964641017e+00 -1.964641017e+00 4.42 -2.000417776e+00 -2.000417776e+00 4.44 -2.031231586e+00 -2.031231586e+00 4.46 -2.057249748e+00 -2.057249748e+00 4.48 -2.078674965e+00 -2.078674965e+00 4.50 -2.096653758e+00 -2.096653758e+00 4.52 -2.112673554e+00 -2.112673554e+00 4.54 -2.128405618e+00 -2.128405618e+00 4.56 -2.145665375e+00 -2.145665375e+00 4.58 -2.166012659e+00 -2.166012659e+00 4.60 -2.190081388e+00 -2.190081388e+00 4.62 -2.216348935e+00 -2.216348935e+00 4.64 -2.241247159e+00 -2.241247159e+00 4.66 -2.260910684e+00 -2.260910684e+00 4.68 -2.271613928e+00 -2.271613928e+00 4.70 -2.270923053e+00 -2.270923053e+00 4.72 -2.258178003e+00 -2.258178003e+00 4.74 -2.233546405e+00 -2.233546405e+00 4.76 -2.199990283e+00 -2.199990283e+00 4.78 -2.161538382e+00 -2.161538382e+00 4.80 -2.122294894e+00 -2.122294894e+00 4.82 -2.085451106e+00 -2.085451106e+00 4.84 -2.053148322e+00 -2.053148322e+00 4.86 -2.027341279e+00 -2.027341279e+00 4.88 -2.008564078e+00 -2.008564078e+00 4.90 -1.993353586e+00 -1.993353586e+00 4.92 -1.977495490e+00 -1.977495490e+00 4.94 -1.959439072e+00 -1.959439072e+00 4.96 -1.939656447e+00 -1.939656447e+00 4.98 -1.920385644e+00 -1.920385644e+00 5.00 -1.904521113e+00 -1.904521113e+00 5.02 -1.895931570e+00 -1.895931570e+00 5.04 -1.898571619e+00 -1.898571619e+00 5.06 -1.908988287e+00 -1.908988287e+00 5.08 -1.921190728e+00 -1.921190728e+00 5.10 -1.928886809e+00 -1.928886809e+00 5.12 -1.926456281e+00 -1.926456281e+00 5.14 -1.909267147e+00 -1.909267147e+00 5.16 -1.874468372e+00 -1.874468372e+00 5.18 -1.824850959e+00 -1.824850959e+00 5.20 -1.764805771e+00 -1.764805771e+00 5.22 -1.700404013e+00 -1.700404013e+00 5.24 -1.638331746e+00 -1.638331746e+00 5.26 -1.584217876e+00 -1.584217876e+00 5.28 -1.540323983e+00 -1.540323983e+00 5.30 -1.505189357e+00 -1.505189357e+00 5.32 -1.477387790e+00 -1.477387790e+00 5.34 -1.455520363e+00 -1.455520363e+00 5.36 -1.437757274e+00 -1.437757274e+00 5.38 -1.421064251e+00 -1.421064251e+00 5.40 -1.400634613e+00 -1.400634613e+00 5.42 -1.376197558e+00 -1.376197558e+00 5.44 -1.348896408e+00 -1.348896408e+00 5.46 -1.319736383e+00 -1.319736383e+00 5.48 -1.289274192e+00 -1.289274192e+00 5.50 -1.258025702e+00 -1.258025702e+00 5.52 -1.226667775e+00 -1.226667775e+00 5.54 -1.196095683e+00 -1.196095683e+00 5.56 -1.166550468e+00 -1.166550468e+00 5.58 -1.137356840e+00 -1.137356840e+00 5.60 -1.107647430e+00 -1.107647430e+00 5.62 -1.076426570e+00 -1.076426570e+00 5.64 -1.042521701e+00 -1.042521701e+00 5.66 -1.004357570e+00 -1.004357570e+00 5.68 -9.599687111e-01 -9.599687111e-01 5.70 -9.097542896e-01 -9.097542896e-01 5.72 -8.566296153e-01 -8.566296153e-01 5.74 -8.058050947e-01 -8.058050947e-01 5.76 -7.667023814e-01 -7.667023814e-01 5.78 -7.468176823e-01 -7.468176823e-01 5.80 -7.528581513e-01 -7.528581513e-01 5.82 -7.864149053e-01 -7.864149053e-01 5.84 -8.380400197e-01 -8.380400197e-01 5.86 -8.940480793e-01 -8.940480793e-01 5.88 -9.435233606e-01 -9.435233606e-01 5.90 -9.804496960e-01 -9.804496960e-01 5.92 -1.001163836e+00 -1.001163836e+00 5.94 -1.002268317e+00 -1.002268317e+00 5.96 -9.822000628e-01 -9.822000628e-01 5.98 -9.414259996e-01 -9.414259996e-01 6.00 -8.793632036e-01 -8.793632036e-01