# 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 = MoNb2Ta # 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 1.087810004e+03 1.087810004e+03 1.08 9.766244309e+02 9.766244309e+02 1.10 8.780186369e+02 8.780186369e+02 1.12 7.903403048e+02 7.903403048e+02 1.14 7.119796266e+02 7.119796266e+02 1.16 6.413193962e+02 6.413193962e+02 1.18 5.775390224e+02 5.775390224e+02 1.20 5.199742316e+02 5.199742316e+02 1.22 4.683593972e+02 4.683593972e+02 1.24 4.222501121e+02 4.222501121e+02 1.26 3.810371584e+02 3.810371584e+02 1.28 3.440476275e+02 3.440476275e+02 1.30 3.106486950e+02 3.106486950e+02 1.32 2.806472998e+02 2.806472998e+02 1.34 2.537378696e+02 2.537378696e+02 1.36 2.294715122e+02 2.294715122e+02 1.38 2.075200291e+02 2.075200291e+02 1.40 1.876770486e+02 1.876770486e+02 1.42 1.696902598e+02 1.696902598e+02 1.44 1.533969921e+02 1.533969921e+02 1.46 1.386390820e+02 1.386390820e+02 1.48 1.255448430e+02 1.255448430e+02 1.50 1.136447563e+02 1.136447563e+02 1.52 1.027970079e+02 1.027970079e+02 1.54 9.294641301e+01 9.294641301e+01 1.56 8.401437514e+01 8.401437514e+01 1.58 7.581932069e+01 7.581932069e+01 1.60 6.824625544e+01 6.824625544e+01 1.62 6.136115482e+01 6.136115482e+01 1.64 5.522441564e+01 5.522441564e+01 1.66 4.972753720e+01 4.972753720e+01 1.68 4.476677061e+01 4.476677061e+01 1.70 4.035377012e+01 4.035377012e+01 1.72 3.645977502e+01 3.645977502e+01 1.74 3.298460316e+01 3.298460316e+01 1.76 2.983014711e+01 2.983014711e+01 1.78 2.693750480e+01 2.693750480e+01 1.80 2.428429562e+01 2.428429562e+01 1.82 2.184150802e+01 2.184150802e+01 1.84 1.966989849e+01 1.966989849e+01 1.86 1.770213434e+01 1.770213434e+01 1.88 1.593550362e+01 1.593550362e+01 1.90 1.431993786e+01 1.431993786e+01 1.92 1.283324410e+01 1.283324410e+01 1.94 1.147432680e+01 1.147432680e+01 1.96 1.023634987e+01 1.023634987e+01 1.98 9.112098414e+00 9.112098414e+00 2.00 8.099469763e+00 8.099469763e+00 2.02 7.103235304e+00 7.103235304e+00 2.04 6.210106213e+00 6.210106213e+00 2.06 5.347906057e+00 5.347906057e+00 2.08 4.531495687e+00 4.531495687e+00 2.10 3.797316632e+00 3.797316632e+00 2.12 3.156385388e+00 3.156385388e+00 2.14 2.575834230e+00 2.575834230e+00 2.16 2.015561998e+00 2.015561998e+00 2.18 1.473423075e+00 1.473423075e+00 2.20 9.726475295e-01 9.726475295e-01 2.22 3.638514195e-01 3.638514195e-01 2.24 -1.929914339e-01 -1.929914339e-01 2.26 -7.245014612e-01 -7.245014612e-01 2.28 -1.247056509e+00 -1.247056509e+00 2.30 -1.766434465e+00 -1.766434465e+00 2.32 -2.287364158e+00 -2.287364158e+00 2.34 -2.758816325e+00 -2.758816325e+00 2.36 -3.205962428e+00 -3.205962428e+00 2.38 -3.632961317e+00 -3.632961317e+00 2.40 -4.025479505e+00 -4.025479505e+00 2.42 -4.387501895e+00 -4.387501895e+00 2.44 -4.724039693e+00 -4.724039693e+00 2.46 -5.026370307e+00 -5.026370307e+00 2.48 -5.293909931e+00 -5.293909931e+00 2.50 -5.537463761e+00 -5.537463761e+00 2.52 -5.766841868e+00 -5.766841868e+00 2.54 -5.988804015e+00 -5.988804015e+00 2.56 -6.203931012e+00 -6.203931012e+00 2.58 -6.402078477e+00 -6.402078477e+00 2.60 -6.577721943e+00 -6.577721943e+00 2.62 -6.744264905e+00 -6.744264905e+00 2.64 -6.886412473e+00 -6.886412473e+00 2.66 -7.014544578e+00 -7.014544578e+00 2.68 -7.126546147e+00 -7.126546147e+00 2.70 -7.218081649e+00 -7.218081649e+00 2.72 -7.299498506e+00 -7.299498506e+00 2.74 -7.371280455e+00 -7.371280455e+00 2.76 -7.429746407e+00 -7.429746407e+00 2.78 -7.472548850e+00 -7.472548850e+00 2.80 -7.499550155e+00 -7.499550155e+00 2.82 -7.515686739e+00 -7.515686739e+00 2.84 -7.527176555e+00 -7.527176555e+00 2.86 -7.532805750e+00 -7.532805750e+00 2.88 -7.526492466e+00 -7.526492466e+00 2.90 -7.500780455e+00 -7.500780455e+00 2.92 -7.456691584e+00 -7.456691584e+00 2.94 -7.402789198e+00 -7.402789198e+00 2.96 -7.348538833e+00 -7.348538833e+00 2.98 -7.300984239e+00 -7.300984239e+00 3.00 -7.260067247e+00 -7.260067247e+00 3.02 -7.221853165e+00 -7.221853165e+00 3.04 -7.181071858e+00 -7.181071858e+00 3.06 -7.132327343e+00 -7.132327343e+00 3.08 -7.071641099e+00 -7.071641099e+00 3.10 -6.999536777e+00 -6.999536777e+00 3.12 -6.912912990e+00 -6.912912990e+00 3.14 -6.810913708e+00 -6.810913708e+00 3.16 -6.697059801e+00 -6.697059801e+00 3.18 -6.572743489e+00 -6.572743489e+00 3.20 -6.447503415e+00 -6.447503415e+00 3.22 -6.337879575e+00 -6.337879575e+00 3.24 -6.259266640e+00 -6.259266640e+00 3.26 -6.194791955e+00 -6.194791955e+00 3.28 -6.129155925e+00 -6.129155925e+00 3.30 -6.060593445e+00 -6.060593445e+00 3.32 -5.987816170e+00 -5.987816170e+00 3.34 -5.909592582e+00 -5.909592582e+00 3.36 -5.824794160e+00 -5.824794160e+00 3.38 -5.732087851e+00 -5.732087851e+00 3.40 -5.630400089e+00 -5.630400089e+00 3.42 -5.521158083e+00 -5.521158083e+00 3.44 -5.407355495e+00 -5.407355495e+00 3.46 -5.289311721e+00 -5.289311721e+00 3.48 -5.167831039e+00 -5.167831039e+00 3.50 -5.049746235e+00 -5.049746235e+00 3.52 -4.943263649e+00 -4.943263649e+00 3.54 -4.851574155e+00 -4.851574155e+00 3.56 -4.774216938e+00 -4.774216938e+00 3.58 -4.708097131e+00 -4.708097131e+00 3.60 -4.648142491e+00 -4.648142491e+00 3.62 -4.590220119e+00 -4.590220119e+00 3.64 -4.530904272e+00 -4.530904272e+00 3.66 -4.469018080e+00 -4.469018080e+00 3.68 -4.404254303e+00 -4.404254303e+00 3.70 -4.335014333e+00 -4.335014333e+00 3.72 -4.259033756e+00 -4.259033756e+00 3.74 -4.177274935e+00 -4.177274935e+00 3.76 -4.096274154e+00 -4.096274154e+00 3.78 -4.022988643e+00 -4.022988643e+00 3.80 -3.962460552e+00 -3.962460552e+00 3.82 -3.900978650e+00 -3.900978650e+00 3.84 -3.830695089e+00 -3.830695089e+00 3.86 -3.748557631e+00 -3.748557631e+00 3.88 -3.648815783e+00 -3.648815783e+00 3.90 -3.526776483e+00 -3.526776483e+00 3.92 -3.386129658e+00 -3.386129658e+00 3.94 -3.239012030e+00 -3.239012030e+00 3.96 -3.091134438e+00 -3.091134438e+00 3.98 -2.936423376e+00 -2.936423376e+00 4.00 -2.780867464e+00 -2.780867464e+00 4.02 -2.641125156e+00 -2.641125156e+00 4.04 -2.521429982e+00 -2.521429982e+00 4.06 -2.417476232e+00 -2.417476232e+00 4.08 -2.327146560e+00 -2.327146560e+00 4.10 -2.249097974e+00 -2.249097974e+00 4.12 -2.182031201e+00 -2.182031201e+00 4.14 -2.124984882e+00 -2.124984882e+00 4.16 -2.077195449e+00 -2.077195449e+00 4.18 -2.037736955e+00 -2.037736955e+00 4.20 -2.005613883e+00 -2.005613883e+00 4.22 -1.980393027e+00 -1.980393027e+00 4.24 -1.960540733e+00 -1.960540733e+00 4.26 -1.944422256e+00 -1.944422256e+00 4.28 -1.930693022e+00 -1.930693022e+00 4.30 -1.918082450e+00 -1.918082450e+00 4.32 -1.905272605e+00 -1.905272605e+00 4.34 -1.891172934e+00 -1.891172934e+00 4.36 -1.876191482e+00 -1.876191482e+00 4.38 -1.861190098e+00 -1.861190098e+00 4.40 -1.847086117e+00 -1.847086117e+00 4.42 -1.834869632e+00 -1.834869632e+00 4.44 -1.825496896e+00 -1.825496896e+00 4.46 -1.819267943e+00 -1.819267943e+00 4.48 -1.815131365e+00 -1.815131365e+00 4.50 -1.812109565e+00 -1.812109565e+00 4.52 -1.809214015e+00 -1.809214015e+00 4.54 -1.805437779e+00 -1.805437779e+00 4.56 -1.799768467e+00 -1.799768467e+00 4.58 -1.791605914e+00 -1.791605914e+00 4.60 -1.780967421e+00 -1.780967421e+00 4.62 -1.767632502e+00 -1.767632502e+00 4.64 -1.751185123e+00 -1.751185123e+00 4.66 -1.731211383e+00 -1.731211383e+00 4.68 -1.707286538e+00 -1.707286538e+00 4.70 -1.678989995e+00 -1.678989995e+00 4.72 -1.645899367e+00 -1.645899367e+00 4.74 -1.607882917e+00 -1.607882917e+00 4.76 -1.566307210e+00 -1.566307210e+00 4.78 -1.523051795e+00 -1.523051795e+00 4.80 -1.480048800e+00 -1.480048800e+00 4.82 -1.439166484e+00 -1.439166484e+00 4.84 -1.402230719e+00 -1.402230719e+00 4.86 -1.371046668e+00 -1.371046668e+00 4.88 -1.346332210e+00 -1.346332210e+00 4.90 -1.326588240e+00 -1.326588240e+00 4.92 -1.310098340e+00 -1.310098340e+00 4.94 -1.295345093e+00 -1.295345093e+00 4.96 -1.280878839e+00 -1.280878839e+00 4.98 -1.265249898e+00 -1.265249898e+00 5.00 -1.247079649e+00 -1.247079649e+00 5.02 -1.226621895e+00 -1.226621895e+00 5.04 -1.205404857e+00 -1.205404857e+00 5.06 -1.184313969e+00 -1.184313969e+00 5.08 -1.164134225e+00 -1.164134225e+00 5.10 -1.145671200e+00 -1.145671200e+00 5.12 -1.129737404e+00 -1.129737404e+00 5.14 -1.116930292e+00 -1.116930292e+00 5.16 -1.106331333e+00 -1.106331333e+00 5.18 -1.096642317e+00 -1.096642317e+00 5.20 -1.086584540e+00 -1.086584540e+00 5.22 -1.074834238e+00 -1.074834238e+00 5.24 -1.060017600e+00 -1.060017600e+00 5.26 -1.040740197e+00 -1.040740197e+00 5.28 -1.016857482e+00 -1.016857482e+00 5.30 -9.902674109e-01 -9.902674109e-01 5.32 -9.632565797e-01 -9.632565797e-01 5.34 -9.383634226e-01 -9.383634226e-01 5.36 -9.184216620e-01 -9.184216620e-01 5.38 -9.041476470e-01 -9.041476470e-01 5.40 -8.890458596e-01 -8.890458596e-01 5.42 -8.725242207e-01 -8.725242207e-01 5.44 -8.544782577e-01 -8.544782577e-01 5.46 -8.348921344e-01 -8.348921344e-01 5.48 -8.138697132e-01 -8.138697132e-01 5.50 -7.916422910e-01 -7.916422910e-01 5.52 -7.685705247e-01 -7.685705247e-01 5.54 -7.451496887e-01 -7.451496887e-01 5.56 -7.221785383e-01 -7.221785383e-01 5.58 -7.006239771e-01 -7.006239771e-01 5.60 -6.814395218e-01 -6.814395218e-01 5.62 -6.655213694e-01 -6.655213694e-01 5.64 -6.536631528e-01 -6.536631528e-01 5.66 -6.465095199e-01 -6.465095199e-01 5.68 -6.442727943e-01 -6.442727943e-01 5.70 -6.459564392e-01 -6.459564392e-01 5.72 -6.503197597e-01 -6.503197597e-01 5.74 -6.562993796e-01 -6.562993796e-01 5.76 -6.630594899e-01 -6.630594899e-01 5.78 -6.699833822e-01 -6.699833822e-01 5.80 -6.766171345e-01 -6.766171345e-01 5.82 -6.826297032e-01 -6.826297032e-01 5.84 -6.877244257e-01 -6.877244257e-01 5.86 -6.915014076e-01 -6.915014076e-01 5.88 -6.934848811e-01 -6.934848811e-01 5.90 -6.931579913e-01 -6.931579913e-01 5.92 -6.899896473e-01 -6.899896473e-01 5.94 -6.834492876e-01 -6.834492876e-01 5.96 -6.728663800e-01 -6.728663800e-01 5.98 -6.573303392e-01 -6.573303392e-01 6.00 -6.356882950e-01 -6.356882950e-01