# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = HfTi2 # 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 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 2.382851715e+02 1.12 2.211208472e+02 1.14 2.052928400e+02 1.16 1.906753889e+02 1.18 1.771565179e+02 1.20 1.646474374e+02 1.22 1.530770251e+02 1.24 1.423684611e+02 1.26 1.324395274e+02 1.28 1.232164237e+02 1.30 1.146388217e+02 1.32 1.066542462e+02 1.34 9.921969292e+01 1.36 9.230209405e+01 1.38 8.586963279e+01 1.40 7.988630373e+01 1.42 7.431405295e+01 1.44 6.912001102e+01 1.46 6.427843650e+01 1.48 5.976446090e+01 1.50 5.554721356e+01 1.52 5.159798718e+01 1.54 4.789803461e+01 1.56 4.443730256e+01 1.58 4.120729174e+01 1.60 3.819439200e+01 1.62 3.538085017e+01 1.64 3.274960659e+01 1.66 3.028694477e+01 1.68 2.798177784e+01 1.70 2.582452047e+01 1.72 2.380748455e+01 1.74 2.192424132e+01 1.76 2.016669549e+01 1.78 1.852421729e+01 1.80 1.698458796e+01 1.82 1.553712166e+01 1.84 1.417470672e+01 1.86 1.289282389e+01 1.88 1.168800251e+01 1.90 1.055641606e+01 1.92 9.493924458e+00 1.94 8.495958430e+00 1.96 7.558164330e+00 1.98 6.676972024e+00 2.00 5.849504043e+00 2.02 5.073150135e+00 2.04 4.345318113e+00 2.06 3.663456417e+00 2.08 3.025636065e+00 2.10 2.430393421e+00 2.12 1.876344250e+00 2.14 1.361398644e+00 2.16 8.825741014e-01 2.18 4.360693075e-01 2.20 1.805950873e-02 2.22 -3.744836667e-01 2.24 -7.433444070e-01 2.26 -1.089046628e+00 2.28 -1.411600634e+00 2.30 -1.710722983e+00 2.32 -1.986884881e+00 2.34 -2.241540429e+00 2.36 -2.476950172e+00 2.38 -2.695765686e+00 2.40 -2.900370457e+00 2.42 -3.092608050e+00 2.44 -3.273652984e+00 2.46 -3.444094146e+00 2.48 -3.604100496e+00 2.50 -3.752675975e+00 2.52 -3.888012064e+00 2.54 -4.009971409e+00 2.56 -4.119222546e+00 2.58 -4.216595604e+00 2.60 -4.303222638e+00 2.62 -4.380077783e+00 2.64 -4.448128646e+00 2.66 -4.508171086e+00 2.68 -4.560747031e+00 2.70 -4.606235626e+00 2.72 -4.645490145e+00 2.74 -4.678727486e+00 2.76 -4.706053714e+00 2.78 -4.727543040e+00 2.80 -4.743387264e+00 2.82 -4.753819246e+00 2.84 -4.759093190e+00 2.86 -4.759465378e+00 2.88 -4.755172886e+00 2.90 -4.746414481e+00 2.92 -4.733340419e+00 2.94 -4.716055652e+00 2.96 -4.694636311e+00 2.98 -4.669156236e+00 3.00 -4.639715925e+00 3.02 -4.606472868e+00 3.04 -4.569644298e+00 3.06 -4.529443853e+00 3.08 -4.486289155e+00 3.10 -4.440388694e+00 3.12 -4.392008303e+00 3.14 -4.341417048e+00 3.16 -4.288923809e+00 3.18 -4.234900407e+00 3.20 -4.179767113e+00 3.22 -4.123938353e+00 3.24 -4.067751524e+00 3.26 -4.011412853e+00 3.28 -3.954982489e+00 3.30 -3.898400760e+00 3.32 -3.841540671e+00 3.34 -3.784249386e+00 3.36 -3.726481252e+00 3.38 -3.668208138e+00 3.40 -3.609525470e+00 3.42 -3.550618514e+00 3.44 -3.491730063e+00 3.46 -3.433113038e+00 3.48 -3.374980720e+00 3.50 -3.317468377e+00 3.52 -3.260614980e+00 3.54 -3.204366095e+00 3.56 -3.148593222e+00 3.58 -3.093121882e+00 3.60 -3.037762802e+00 3.62 -2.982342405e+00 3.64 -2.926731488e+00 3.66 -2.870870693e+00 3.68 -2.814790172e+00 3.70 -2.758618608e+00 3.72 -2.702576077e+00 3.74 -2.646947837e+00 3.76 -2.592041742e+00 3.78 -2.538138935e+00 3.80 -2.485450890e+00 3.82 -2.434094062e+00 3.84 -2.384086454e+00 3.86 -2.335362716e+00 3.88 -2.287804093e+00 3.90 -2.241265396e+00 3.92 -2.195606525e+00 3.94 -2.150714379e+00 3.96 -2.106517848e+00 3.98 -2.062994428e+00 4.00 -2.020168463e+00 4.02 -1.978109596e+00 4.04 -1.936804201e+00 4.06 -1.896531202e+00 4.08 -1.857269323e+00 4.10 -1.819076958e+00 4.12 -1.781984376e+00 4.14 -1.745993650e+00 4.16 -1.711082853e+00 4.18 -1.677212412e+00 4.20 -1.644331600e+00 4.22 -1.612383726e+00 4.24 -1.581309380e+00 4.26 -1.551047715e+00 4.28 -1.521536378e+00 4.30 -1.492710887e+00 4.32 -1.464504458e+00 4.34 -1.436849184e+00 4.36 -1.409678847e+00 4.38 -1.382932987e+00 4.40 -1.356561186e+00 4.42 -1.330526350e+00 4.44 -1.304806053e+00 4.46 -1.279391701e+00 4.48 -1.254285867e+00 4.50 -1.229498780e+00 4.52 -1.205044798e+00 4.54 -1.180939454e+00 4.56 -1.157197326e+00 4.58 -1.133830740e+00 4.60 -1.110849150e+00 4.62 -1.088259009e+00 4.64 -1.066063899e+00 4.66 -1.044264807e+00 4.68 -1.022860455e+00 4.70 -1.001847645e+00 4.72 -9.811615879e-01 4.74 -9.609261675e-01 4.76 -9.410613401e-01 4.78 -9.215585385e-01 4.80 -9.024079405e-01 4.82 -8.835984901e-01 4.84 -8.651178618e-01 4.86 -8.469524082e-01 4.88 -8.290870689e-01 4.90 -8.115052875e-01 4.92 -7.941889098e-01 4.94 -7.771181263e-01 4.96 -7.602714384e-01 4.98 -7.436257247e-01 5.00 -7.271564063e-01 5.02 -7.108377942e-01 5.04 -6.946436532e-01 5.06 -6.785480400e-01 5.08 -6.625264933e-01 5.10 -6.465575386e-01 5.12 -6.306246064e-01 5.14 -6.147181158e-01 5.16 -5.988377828e-01 5.18 -5.829946012e-01 5.20 -5.672124734e-01 5.22 -5.515287310e-01 5.24 -5.359935433e-01 5.26 -5.206676872e-01 5.28 -5.056189395e-01 5.30 -4.909173214e-01 5.32 -4.766297595e-01 5.34 -4.628151039e-01 5.36 -4.495199152e-01 5.38 -4.367759442e-01 5.40 -4.245990780e-01 5.42 -4.129900727e-01 5.44 -4.019363402e-01 5.46 -3.914146176e-01 5.48 -3.813938313e-01 5.50 -3.718379001e-01 5.52 -3.627081591e-01 5.54 -3.539652770e-01 5.56 -3.455706791e-01 5.58 -3.374874472e-01 5.60 -3.296808546e-01 5.62 -3.221185494e-01 5.64 -3.147705486e-01 5.66 -3.076090422e-01 5.68 -3.006081491e-01 5.70 -2.937436061e-01 5.72 -2.869924772e-01 5.74 -2.803328751e-01 5.76 -2.737437584e-01 5.78 -2.672047848e-01 5.80 -2.606962694e-01 5.82 -2.541992485e-01 5.84 -2.476956760e-01 5.86 -2.411687581e-01 5.88 -2.346034292e-01 5.90 -2.279869672e-01 5.92 -2.213097378e-01 5.94 -2.145659935e-01 5.96 -2.077546791e-01 5.98 -2.008801590e-01 6.00 -1.939527581e-01