# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiFe2 # 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 2026-06-16 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 3.023712341e+02 0.80 2.854751561e+02 0.82 2.694571621e+02 0.84 2.542737508e+02 0.86 2.398834982e+02 0.88 2.262469611e+02 0.90 2.133265851e+02 0.92 2.010866172e+02 0.94 1.894930214e+02 0.96 1.785133994e+02 0.98 1.681169136e+02 1.00 1.582742146e+02 1.02 1.489573718e+02 1.04 1.401398063e+02 1.06 1.317962285e+02 1.08 1.239025767e+02 1.10 1.164359601e+02 1.12 1.093746035e+02 1.14 1.026977946e+02 1.16 9.638583414e+01 1.18 9.041998777e+01 1.20 8.478244069e+01 1.22 7.945625402e+01 1.24 7.442532318e+01 1.26 6.967433839e+01 1.28 6.518874681e+01 1.30 6.095471649e+01 1.32 5.695910203e+01 1.34 5.318941176e+01 1.36 4.963377648e+01 1.38 4.628091961e+01 1.40 4.312012881e+01 1.42 4.014122878e+01 1.44 3.733455551e+01 1.46 3.469093155e+01 1.48 3.220164253e+01 1.50 2.985841480e+01 1.52 2.765339400e+01 1.54 2.557912479e+01 1.56 2.362853139e+01 1.58 2.179489910e+01 1.60 2.007185672e+01 1.62 1.845335972e+01 1.64 1.693367424e+01 1.66 1.550736188e+01 1.68 1.416926515e+01 1.70 1.291449364e+01 1.72 1.173841086e+01 1.74 1.063662164e+01 1.76 9.604960227e+00 1.78 8.639478870e+00 1.80 7.736436980e+00 1.82 6.892290805e+00 1.84 6.103683599e+00 1.86 5.367436262e+00 1.88 4.680538427e+00 1.90 4.040139980e+00 1.92 3.443542983e+00 1.94 2.888193995e+00 1.96 2.371676745e+00 1.98 1.891704890e+00 2.00 1.446115663e+00 2.02 1.032865538e+00 2.04 6.500196491e-01 2.06 2.956583070e-01 2.08 -3.246025098e-02 2.10 -3.348882673e-01 2.12 -6.133443754e-01 2.14 -8.695901028e-01 2.16 -1.105001659e+00 2.18 -1.320878452e+00 2.20 -1.518447094e+00 2.22 -1.698865206e+00 2.24 -1.863225038e+00 2.26 -2.012556907e+00 2.28 -2.147832461e+00 2.30 -2.269967787e+00 2.32 -2.379826353e+00 2.34 -2.478221816e+00 2.36 -2.565920672e+00 2.38 -2.643644791e+00 2.40 -2.712073806e+00 2.42 -2.771847397e+00 2.44 -2.823567446e+00 2.46 -2.867800089e+00 2.48 -2.905077665e+00 2.50 -2.935900558e+00 2.52 -2.960738953e+00 2.54 -2.980034496e+00 2.56 -2.994201869e+00 2.58 -3.003630287e+00 2.60 -3.008684913e+00 2.62 -3.009708205e+00 2.64 -3.007021182e+00 2.66 -3.000924642e+00 2.68 -2.991700295e+00 2.70 -2.979611853e+00 2.72 -2.964906054e+00 2.74 -2.947813637e+00 2.76 -2.928550257e+00 2.78 -2.907317362e+00 2.80 -2.884303014e+00 2.82 -2.859682673e+00 2.84 -2.833619934e+00 2.86 -2.806267228e+00 2.88 -2.777766479e+00 2.90 -2.748249735e+00 2.92 -2.717839753e+00 2.94 -2.686650565e+00 2.96 -2.654787999e+00 2.98 -2.622350184e+00 3.00 -2.589428018e+00 3.02 -2.556105615e+00 3.04 -2.522460724e+00 3.06 -2.488565128e+00 3.08 -2.454485018e+00 3.10 -2.420281345e+00 3.12 -2.386010157e+00 3.14 -2.351722909e+00 3.16 -2.317466763e+00 3.18 -2.283284867e+00 3.20 -2.249216618e+00 3.22 -2.215297908e+00 3.24 -2.181561362e+00 3.26 -2.148036554e+00 3.28 -2.114750219e+00 3.30 -2.081726439e+00 3.32 -2.048986838e+00 3.34 -2.016550744e+00 3.36 -1.984435356e+00 3.38 -1.952655854e+00 3.40 -1.920968192e+00 3.42 -1.887101338e+00 3.44 -1.847158375e+00 3.46 -1.804443233e+00 3.48 -1.774940466e+00 3.50 -1.746616175e+00 3.52 -1.718649345e+00 3.54 -1.691044385e+00 3.56 -1.663804787e+00 3.58 -1.636933204e+00 3.60 -1.610431513e+00 3.62 -1.584300885e+00 3.64 -1.558541841e+00 3.66 -1.533154306e+00 3.68 -1.508137665e+00 3.70 -1.483490811e+00 3.72 -1.459212188e+00 3.74 -1.435299835e+00 3.76 -1.411751424e+00 3.78 -1.388564299e+00 3.80 -1.365735508e+00 3.82 -1.343261835e+00 3.84 -1.321139830e+00 3.86 -1.299365835e+00 3.88 -1.277936011e+00 3.90 -1.256846360e+00 3.92 -1.233678669e+00 3.94 -1.177351411e+00 3.96 -1.002019619e+00 3.98 -5.737159239e-01 4.00 -3.526799934e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00