# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Mn # implementation = 2025--Sharifi-H--Ni-Co-Mn--LAMMPS--ipr1 # composition = CoMn2Ni # 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 2025-07-01 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 1.289619095e+03 1.289619095e+03 1.00 1.177802637e+03 1.177802637e+03 1.02 1.067675223e+03 1.067675223e+03 1.04 9.618581546e+02 9.618581546e+02 1.06 8.620413244e+02 8.620413244e+02 1.08 7.692278369e+02 7.692278369e+02 1.10 6.839142090e+02 6.839142090e+02 1.12 6.062299540e+02 6.062299540e+02 1.14 5.360451430e+02 5.360451430e+02 1.16 4.730527796e+02 4.730527796e+02 1.18 4.168312306e+02 4.168312306e+02 1.20 3.668910830e+02 3.668910830e+02 1.22 3.227098099e+02 3.227098099e+02 1.24 2.837569309e+02 2.837569309e+02 1.26 2.495118444e+02 2.495118444e+02 1.28 2.194760134e+02 2.194760134e+02 1.30 1.931808616e+02 1.931808616e+02 1.32 1.701920110e+02 1.701920110e+02 1.34 1.504120837e+02 1.504120837e+02 1.36 1.337246002e+02 1.337246002e+02 1.38 1.193446530e+02 1.193446530e+02 1.40 1.067421247e+02 1.067421247e+02 1.42 9.556811837e+01 9.556811837e+01 1.44 8.558817421e+01 8.558817421e+01 1.46 7.663864519e+01 7.663864519e+01 1.48 6.859884995e+01 6.859884995e+01 1.50 6.137379709e+01 6.137379709e+01 1.52 5.488385114e+01 5.488385114e+01 1.54 4.905883497e+01 4.905883497e+01 1.56 4.383488259e+01 4.383488259e+01 1.58 3.915292068e+01 3.915292068e+01 1.60 3.495805064e+01 3.495805064e+01 1.62 3.119938159e+01 3.119938159e+01 1.64 2.783004160e+01 2.783004160e+01 1.66 2.480721598e+01 2.480721598e+01 1.68 2.209213953e+01 2.209213953e+01 1.70 1.965001287e+01 1.965001287e+01 1.72 1.744984238e+01 1.744984238e+01 1.74 1.546421578e+01 1.546421578e+01 1.76 1.366903207e+01 1.366903207e+01 1.78 1.204321303e+01 1.204321303e+01 1.80 1.056838313e+01 1.056838313e+01 1.82 9.228553437e+00 9.228553437e+00 1.84 8.009829352e+00 8.009829352e+00 1.86 6.900137346e+00 6.900137346e+00 1.88 5.888975770e+00 5.888975770e+00 1.90 4.967176738e+00 4.967176738e+00 1.92 4.126675436e+00 4.126675436e+00 1.94 3.360337431e+00 3.360337431e+00 1.96 2.661814092e+00 2.661814092e+00 1.98 2.025403050e+00 2.025403050e+00 2.00 1.445936132e+00 1.445936132e+00 2.02 9.187037618e-01 9.187037618e-01 2.04 4.394094278e-01 4.394094278e-01 2.06 4.130305597e-03 4.130305597e-03 2.08 -3.907181164e-01 -3.907181164e-01 2.10 -7.484137309e-01 -7.484137309e-01 2.12 -1.071956427e+00 -1.071956427e+00 2.14 -1.364093772e+00 -1.364093772e+00 2.16 -1.627347158e+00 -1.627347158e+00 2.18 -1.864039457e+00 -1.864039457e+00 2.20 -2.076302182e+00 -2.076302182e+00 2.22 -2.266090106e+00 -2.266090106e+00 2.24 -2.435197448e+00 -2.435197448e+00 2.26 -2.585272374e+00 -2.585272374e+00 2.28 -2.717830099e+00 -2.717830099e+00 2.30 -2.834264689e+00 -2.834264689e+00 2.32 -2.935859667e+00 -2.935859667e+00 2.34 -3.023797632e+00 -3.023797632e+00 2.36 -3.099168926e+00 -3.099168926e+00 2.38 -3.162979459e+00 -3.162979459e+00 2.40 -3.216157831e+00 -3.216157831e+00 2.42 -3.259561442e+00 -3.259561442e+00 2.44 -3.293963876e+00 -3.293963876e+00 2.46 -3.320053974e+00 -3.320053974e+00 2.48 -3.338473319e+00 -3.338473319e+00 2.50 -3.349821932e+00 -3.349821932e+00 2.52 -3.354659919e+00 -3.354659919e+00 2.54 -3.353510156e+00 -3.353510156e+00 2.56 -3.346860807e+00 -3.346860807e+00 2.58 -3.335167612e+00 -3.335167612e+00 2.60 -3.318855980e+00 -3.318855980e+00 2.62 -3.298322908e+00 -3.298322908e+00 2.64 -3.273938729e+00 -3.273938729e+00 2.66 -3.246048701e+00 -3.246048701e+00 2.68 -3.214974475e+00 -3.214974475e+00 2.70 -3.181015421e+00 -3.181015421e+00 2.72 -3.144449878e+00 -3.144449878e+00 2.74 -3.105536310e+00 -3.105536310e+00 2.76 -3.064514406e+00 -3.064514406e+00 2.78 -3.021606156e+00 -3.021606156e+00 2.80 -2.977016900e+00 -2.977016900e+00 2.82 -2.930936365e+00 -2.930936365e+00 2.84 -2.883539704e+00 -2.883539704e+00 2.86 -2.834988511e+00 -2.834988511e+00 2.88 -2.785431808e+00 -2.785431808e+00 2.90 -2.735006984e+00 -2.735006984e+00 2.92 -2.683840667e+00 -2.683840667e+00 2.94 -2.632049526e+00 -2.632049526e+00 2.96 -2.579740986e+00 -2.579740986e+00 2.98 -2.527013869e+00 -2.527013869e+00 3.00 -2.473958973e+00 -2.473958973e+00 3.02 -2.420659670e+00 -2.420659670e+00 3.04 -2.367192917e+00 -2.367192917e+00 3.06 -2.313628092e+00 -2.313628092e+00 3.08 -2.260026851e+00 -2.260026851e+00 3.10 -2.206449301e+00 -2.206449301e+00 3.12 -2.152948800e+00 -2.152948800e+00 3.14 -2.099574314e+00 -2.099574314e+00 3.16 -2.046371064e+00 -2.046371064e+00 3.18 -1.993381192e+00 -1.993381192e+00 3.20 -1.940644461e+00 -1.940644461e+00 3.22 -1.888198994e+00 -1.888198994e+00 3.24 -1.836082040e+00 -1.836082040e+00 3.26 -1.784330752e+00 -1.784330752e+00 3.28 -1.732982963e+00 -1.732982963e+00 3.30 -1.682077950e+00 -1.682077950e+00 3.32 -1.631657129e+00 -1.631657129e+00 3.34 -1.581764672e+00 -1.581764672e+00 3.36 -1.532447991e+00 -1.532447991e+00 3.38 -1.483758046e+00 -1.483758046e+00 3.40 -1.435749436e+00 -1.435749436e+00 3.42 -1.388480221e+00 -1.388480221e+00 3.44 -1.342011464e+00 -1.342011464e+00 3.46 -1.296406449e+00 -1.296406449e+00 3.48 -1.251729607e+00 -1.251729607e+00 3.50 -1.208045151e+00 -1.208045151e+00 3.52 -1.165415487e+00 -1.165415487e+00 3.54 -1.123899473e+00 -1.123899473e+00 3.56 -1.083550624e+00 -1.083550624e+00 3.58 -1.044415371e+00 -1.044415371e+00 3.60 -1.006531489e+00 -1.006531489e+00 3.62 -9.699268084e-01 -9.699268084e-01 3.64 -9.346182912e-01 -9.346182912e-01 3.66 -9.006115442e-01 -9.006115442e-01 3.68 -8.679007980e-01 -8.679007980e-01 3.70 -8.364693473e-01 -8.364693473e-01 3.72 -8.062904152e-01 -8.062904152e-01 3.74 -7.773283735e-01 -7.773283735e-01 3.76 -7.495402302e-01 -7.495402302e-01 3.78 -7.228772833e-01 -7.228772833e-01 3.80 -6.972868383e-01 -6.972868383e-01 3.82 -6.727138929e-01 -6.727138929e-01 3.84 -6.491027055e-01 -6.491027055e-01 3.86 -6.263981833e-01 -6.263981833e-01 3.88 -6.045470443e-01 -6.045470443e-01 3.90 -5.834987300e-01 -5.834987300e-01 3.92 -5.632060620e-01 -5.632060620e-01 3.94 -5.436256542e-01 -5.436256542e-01 3.96 -5.247181024e-01 -5.247181024e-01 3.98 -5.064479850e-01 -5.064479850e-01 4.00 -4.887837093e-01 -4.887837093e-01 4.02 -4.716972445e-01 -4.716972445e-01 4.04 -4.551637776e-01 -4.551637776e-01 4.06 -4.391613271e-01 -4.391613271e-01 4.08 -4.236703432e-01 -4.236703432e-01 4.10 -4.086733189e-01 -4.086733189e-01 4.12 -3.941544278e-01 -3.941544278e-01 4.14 -3.800992013e-01 -3.800992013e-01 4.16 -3.664942495e-01 -3.664942495e-01 4.18 -3.533270283e-01 -3.533270283e-01 4.20 -3.405856509e-01 -3.405856509e-01 4.22 -3.282587379e-01 -3.282587379e-01 4.24 -3.163353031e-01 -3.163353031e-01 4.26 -3.047896600e-01 -3.047896600e-01 4.28 -2.933200315e-01 -2.933200315e-01 4.30 -2.811882959e-01 -2.811882959e-01 4.32 -2.683438801e-01 -2.683438801e-01 4.34 -2.577925295e-01 -2.577925295e-01 4.36 -2.483183860e-01 -2.483183860e-01 4.38 -2.391643230e-01 -2.391643230e-01 4.40 -2.303213390e-01 -2.303213390e-01 4.42 -2.217805129e-01 -2.217805129e-01 4.44 -2.135330063e-01 -2.135330063e-01 4.46 -2.055700687e-01 -2.055700687e-01 4.48 -1.978830449e-01 -1.978830449e-01 4.50 -1.904633856e-01 -1.904633856e-01 4.52 -1.833026580e-01 -1.833026580e-01 4.54 -1.763925595e-01 -1.763925595e-01 4.56 -1.697249307e-01 -1.697249307e-01 4.58 -1.632917702e-01 -1.632917702e-01 4.60 -1.570852476e-01 -1.570852476e-01 4.62 -1.510977170e-01 -1.510977170e-01 4.64 -1.453217289e-01 -1.453217289e-01 4.66 -1.397500401e-01 -1.397500401e-01 4.68 -1.343756225e-01 -1.343756225e-01 4.70 -1.291916692e-01 -1.291916692e-01 4.72 -1.241915983e-01 -1.241915983e-01 4.74 -1.193690551e-01 -1.193690551e-01 4.76 -1.147179113e-01 -1.147179113e-01 4.78 -1.102322629e-01 -1.102322629e-01 4.80 -1.059064252e-01 -1.059064252e-01 4.82 -1.017349278e-01 -1.017349278e-01 4.84 -9.771250653e-02 -9.771250653e-02 4.86 -9.383409600e-02 -9.383409600e-02 4.88 -9.009482030e-02 -9.009482030e-02 4.90 -8.648998401e-02 -8.648998401e-02 4.92 -8.275049611e-02 -8.275049611e-02 4.94 -7.565152568e-02 -7.565152568e-02 4.96 -5.795870733e-02 -5.795870733e-02 4.98 -2.564091248e-02 -2.564091248e-02 5.00 -2.260028921e-23 -2.258753205e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00