# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MoNi2Ti # 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 2024-04-11 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.799631532e+02 1.799631532e+02 1.30 1.656217485e+02 1.656217485e+02 1.32 1.524072728e+02 1.524072728e+02 1.34 1.402207521e+02 1.402207521e+02 1.36 1.289720836e+02 1.289720836e+02 1.38 1.185808411e+02 1.185808411e+02 1.40 1.089755097e+02 1.089755097e+02 1.42 1.000923638e+02 1.000923638e+02 1.44 9.187458134e+01 9.187458134e+01 1.46 8.427131535e+01 8.427131535e+01 1.48 7.723652724e+01 7.723652724e+01 1.50 7.072794152e+01 7.072794152e+01 1.52 6.470655001e+01 6.470655001e+01 1.54 5.913656708e+01 5.913656708e+01 1.56 5.398533766e+01 5.398533766e+01 1.58 4.922292486e+01 4.922292486e+01 1.60 4.482160692e+01 4.482160692e+01 1.62 4.075561085e+01 4.075561085e+01 1.64 3.700103295e+01 3.700103295e+01 1.66 3.353564515e+01 3.353564515e+01 1.68 3.033849474e+01 3.033849474e+01 1.70 2.738950195e+01 2.738950195e+01 1.72 2.466938567e+01 2.466938567e+01 1.74 2.216172063e+01 2.216172063e+01 1.76 1.984951582e+01 1.984951582e+01 1.78 1.771611452e+01 1.771611452e+01 1.80 1.574638014e+01 1.574638014e+01 1.82 1.392687007e+01 1.392687007e+01 1.84 1.224588693e+01 1.224588693e+01 1.86 1.069334287e+01 1.069334287e+01 1.88 9.260455984e+00 9.260455984e+00 1.90 7.939376754e+00 7.939376754e+00 1.92 6.722854710e+00 6.722854710e+00 1.94 5.604020617e+00 5.604020617e+00 1.96 4.576302190e+00 4.576302190e+00 1.98 3.633433382e+00 3.633433382e+00 2.00 2.769481960e+00 2.769481960e+00 2.02 1.978839562e+00 1.978839562e+00 2.04 1.256173750e+00 1.256173750e+00 2.06 5.963802107e-01 5.963802107e-01 2.08 -5.430131690e-03 -5.430131690e-03 2.10 -5.539029924e-01 -5.539029924e-01 2.12 -1.053390887e+00 -1.053390887e+00 2.14 -1.507907258e+00 -1.507907258e+00 2.16 -1.921102203e+00 -1.921102203e+00 2.18 -2.296267875e+00 -2.296267875e+00 2.20 -2.636373014e+00 -2.636373014e+00 2.22 -2.944118671e+00 -2.944118671e+00 2.24 -3.221999772e+00 -3.221999772e+00 2.26 -3.472356980e+00 -3.472356980e+00 2.28 -3.697410785e+00 -3.697410785e+00 2.30 -3.899278323e+00 -3.899278323e+00 2.32 -4.079977591e+00 -4.079977591e+00 2.34 -4.241416697e+00 -4.241416697e+00 2.36 -4.385366933e+00 -4.385366933e+00 2.38 -4.513424590e+00 -4.513424590e+00 2.40 -4.626978193e+00 -4.626978193e+00 2.42 -4.727185906e+00 -4.727185906e+00 2.44 -4.814881462e+00 -4.814881462e+00 2.46 -4.890974633e+00 -4.890974633e+00 2.48 -4.956301228e+00 -4.956301228e+00 2.50 -5.011585828e+00 -5.011585828e+00 2.52 -5.057476085e+00 -5.057476085e+00 2.54 -5.094562111e+00 -5.094562111e+00 2.56 -5.123423867e+00 -5.123423867e+00 2.58 -5.144564323e+00 -5.144564323e+00 2.60 -5.158253736e+00 -5.158253736e+00 2.62 -5.164656661e+00 -5.164656661e+00 2.64 -5.163977081e+00 -5.163977081e+00 2.66 -5.156460862e+00 -5.156460862e+00 2.68 -5.142402015e+00 -5.142402015e+00 2.70 -5.122140722e+00 -5.122140722e+00 2.72 -5.095969260e+00 -5.095969260e+00 2.74 -5.064141798e+00 -5.064141798e+00 2.76 -5.026955433e+00 -5.026955433e+00 2.78 -4.984730402e+00 -4.984730402e+00 2.80 -4.937759019e+00 -4.937759019e+00 2.82 -4.886135483e+00 -4.886135483e+00 2.84 -4.829910627e+00 -4.829910627e+00 2.86 -4.769180734e+00 -4.769180734e+00 2.88 -4.704087934e+00 -4.704087934e+00 2.90 -4.634823128e+00 -4.634823128e+00 2.92 -4.561628598e+00 -4.561628598e+00 2.94 -4.484798053e+00 -4.484798053e+00 2.96 -4.404673126e+00 -4.404673126e+00 2.98 -4.321636175e+00 -4.321636175e+00 3.00 -4.236099562e+00 -4.236099562e+00 3.02 -4.148491566e+00 -4.148491566e+00 3.04 -4.059239354e+00 -4.059239354e+00 3.06 -3.968750608e+00 -3.968750608e+00 3.08 -3.877395249e+00 -3.877395249e+00 3.10 -3.785491255e+00 -3.785491255e+00 3.12 -3.693295964e+00 -3.693295964e+00 3.14 -3.601004482e+00 -3.601004482e+00 3.16 -3.508753994e+00 -3.508753994e+00 3.18 -3.416633049e+00 -3.416633049e+00 3.20 -3.324693144e+00 -3.324693144e+00 3.22 -3.232961119e+00 -3.232961119e+00 3.24 -3.141451136e+00 -3.141451136e+00 3.26 -3.050175609e+00 -3.050175609e+00 3.28 -2.959154835e+00 -2.959154835e+00 3.30 -2.868425184e+00 -2.868425184e+00 3.32 -2.778045748e+00 -2.778045748e+00 3.34 -2.688103262e+00 -2.688103262e+00 3.36 -2.598715028e+00 -2.598715028e+00 3.38 -2.510029625e+00 -2.510029625e+00 3.40 -2.422225173e+00 -2.422225173e+00 3.42 -2.335505279e+00 -2.335505279e+00 3.44 -2.250092581e+00 -2.250092581e+00 3.46 -2.166220705e+00 -2.166220705e+00 3.48 -2.084124933e+00 -2.084124933e+00 3.50 -2.004032388e+00 -2.004032388e+00 3.52 -1.926152379e+00 -1.926152379e+00 3.54 -1.850667514e+00 -1.850667514e+00 3.56 -1.777726117e+00 -1.777726117e+00 3.58 -1.707436471e+00 -1.707436471e+00 3.60 -1.639863369e+00 -1.639863369e+00 3.62 -1.575027369e+00 -1.575027369e+00 3.64 -1.512906884e+00 -1.512906884e+00 3.66 -1.453442939e+00 -1.453442939e+00 3.68 -1.396546036e+00 -1.396546036e+00 3.70 -1.342104331e+00 -1.342104331e+00 3.72 -1.289992266e+00 -1.289992266e+00 3.74 -1.240078862e+00 -1.240078862e+00 3.76 -1.192235085e+00 -1.192235085e+00 3.78 -1.146339879e+00 -1.146339879e+00 3.80 -1.102284583e+00 -1.102284583e+00 3.82 -1.059975606e+00 -1.059975606e+00 3.84 -1.019335269e+00 -1.019335269e+00 3.86 -9.803008805e-01 -9.803008805e-01 3.88 -9.428222408e-01 -9.428222408e-01 3.90 -9.068579546e-01 -9.068579546e-01 3.92 -8.723710774e-01 -8.723710774e-01 3.94 -8.393249081e-01 -8.393249081e-01 3.96 -8.076790886e-01 -8.076790886e-01 3.98 -7.773870984e-01 -7.773870984e-01 4.00 -7.483948796e-01 -7.483948796e-01 4.02 -7.206407607e-01 -7.206407607e-01 4.04 -6.940564056e-01 -6.940564056e-01 4.06 -6.685684324e-01 -6.685684324e-01 4.08 -6.441003354e-01 -6.441003354e-01 4.10 -6.205743369e-01 -6.205743369e-01 4.12 -5.979133679e-01 -5.979133679e-01 4.14 -5.760420322e-01 -5.760420322e-01 4.16 -5.548879866e-01 -5.548879866e-01 4.18 -5.343826648e-01 -5.343826648e-01 4.20 -5.144618984e-01 -5.144618984e-01 4.22 -4.950664477e-01 -4.950664477e-01 4.24 -4.761425316e-01 -4.761425316e-01 4.26 -4.576424246e-01 -4.576424246e-01 4.28 -4.395251635e-01 -4.395251635e-01 4.30 -4.217573663e-01 -4.217573663e-01 4.32 -4.043141316e-01 -4.043141316e-01 4.34 -3.871799377e-01 -3.871799377e-01 4.36 -3.703494210e-01 -3.703494210e-01 4.38 -3.538278802e-01 -3.538278802e-01 4.40 -3.376313332e-01 -3.376313332e-01 4.42 -3.217859665e-01 -3.217859665e-01 4.44 -3.063268598e-01 -3.063268598e-01 4.46 -2.912959523e-01 -2.912959523e-01 4.48 -2.767393218e-01 -2.767393218e-01 4.50 -2.627039714e-01 -2.627039714e-01 4.52 -2.492344153e-01 -2.492344153e-01 4.54 -2.363694145e-01 -2.363694145e-01 4.56 -2.241392109e-01 -2.241392109e-01 4.58 -2.125635381e-01 -2.125635381e-01 4.60 -2.016505724e-01 -2.016505724e-01 4.62 -1.913968475e-01 -1.913968475e-01 4.64 -1.817880319e-01 -1.817880319e-01 4.66 -1.728003696e-01 -1.728003696e-01 4.68 -1.644025440e-01 -1.644025440e-01 4.70 -1.565577253e-01 -1.565577253e-01 4.72 -1.492255822e-01 -1.492255822e-01 4.74 -1.423638665e-01 -1.423638665e-01 4.76 -1.359306534e-01 -1.359306534e-01 4.78 -1.298853042e-01 -1.298853042e-01 4.80 -1.241892010e-01 -1.241892010e-01 4.82 -1.188066718e-01 -1.188066718e-01 4.84 -1.137052160e-01 -1.137052160e-01 4.86 -1.088559963e-01 -1.088559963e-01 4.88 -1.042339335e-01 -1.042339335e-01 4.90 -9.981772475e-02 -9.981772475e-02 4.92 -9.558975868e-02 -9.558975868e-02 4.94 -9.153593840e-02 -9.153593840e-02 4.96 -8.764541459e-02 -8.764541459e-02 4.98 -8.391022598e-02 -8.391022598e-02 5.00 -8.032486191e-02 -8.032486191e-02 5.02 -7.688575250e-02 -7.688575250e-02 5.04 -7.359070887e-02 -7.359070887e-02 5.06 -7.043834783e-02 -7.043834783e-02 5.08 -6.742753485e-02 -6.742753485e-02 5.10 -6.455673757e-02 -6.455673757e-02 5.12 -6.182400609e-02 -6.182400609e-02 5.14 -5.922659015e-02 -5.922659015e-02 5.16 -5.676068161e-02 -5.676068161e-02 5.18 -5.442140892e-02 -5.442140892e-02 5.20 -5.220293178e-02 -5.220293178e-02 5.22 -5.009860673e-02 -5.009860673e-02 5.24 -4.810119243e-02 -4.810119243e-02 5.26 -4.620306639e-02 -4.620306639e-02 5.28 -4.439643083e-02 -4.439643083e-02 5.30 -4.267349269e-02 -4.267349269e-02 5.32 -4.102660986e-02 -4.102660986e-02 5.34 -3.944840156e-02 -3.944840156e-02 5.36 -3.793182518e-02 -3.793182518e-02 5.38 -3.647022469e-02 -3.647022469e-02 5.40 -3.505735687e-02 -3.505735687e-02 5.42 -3.368740214e-02 -3.368740214e-02 5.44 -3.235496642e-02 -3.235496642e-02 5.46 -3.105507963e-02 -3.105507963e-02 5.48 -2.978319563e-02 -2.978319563e-02 5.50 -2.853519723e-02 -2.853519723e-02 5.52 -2.730740911e-02 -2.730740911e-02 5.54 -2.609662009e-02 -2.609662009e-02 5.56 -2.490011501e-02 -2.490011501e-02 5.58 -2.371571572e-02 -2.371571572e-02 5.60 -2.254182906e-02 -2.254182906e-02 5.62 -2.137749777e-02 -2.137749777e-02 5.64 -2.022244955e-02 -2.022244955e-02 5.66 -1.907713776e-02 -1.907713776e-02 5.68 -1.794276635e-02 -1.794276635e-02 5.70 -1.682129127e-02 -1.682129127e-02 5.72 -1.571539122e-02 -1.571539122e-02 5.74 -1.462840188e-02 -1.462840188e-02 5.76 -1.356420832e-02 -1.356420832e-02 5.78 -1.252696917e-02 -1.252696917e-02 5.80 -1.152118509e-02 -1.152118509e-02 5.82 -1.055148155e-02 -1.055148155e-02 5.84 -9.622297006e-03 -9.622297006e-03 5.86 -8.737676931e-03 -8.737676931e-03 5.88 -7.901089996e-03 -7.901089996e-03 5.90 -7.115280446e-03 -7.115280446e-03 5.92 -6.382166947e-03 -6.382166947e-03 5.94 -5.702793080e-03 -5.702793080e-03 5.96 -5.077329205e-03 -5.077329205e-03 5.98 -4.505120530e-03 -4.505120530e-03 6.00 -3.984772531e-03 -3.984772531e-03