# 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 = MoZr2 # 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 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 7.361319691e+02 0.98 6.743195692e+02 1.00 6.187122821e+02 1.02 5.681844998e+02 1.04 5.222047004e+02 1.06 4.804102732e+02 1.08 4.419702486e+02 1.10 4.071965348e+02 1.12 3.751613132e+02 1.14 3.453233784e+02 1.16 3.176742357e+02 1.18 2.921379539e+02 1.20 2.686489665e+02 1.22 2.470329697e+02 1.24 2.272361301e+02 1.26 2.090666798e+02 1.28 1.925402439e+02 1.30 1.776554372e+02 1.32 1.640242242e+02 1.34 1.514067897e+02 1.36 1.395633340e+02 1.38 1.285074428e+02 1.40 1.183575373e+02 1.42 1.090580871e+02 1.44 1.005543211e+02 1.46 9.271707624e+01 1.48 8.531241028e+01 1.50 7.839181277e+01 1.52 7.210330822e+01 1.54 6.633939561e+01 1.56 6.101616635e+01 1.58 5.610762813e+01 1.60 5.155965103e+01 1.62 4.730542513e+01 1.64 4.334959524e+01 1.66 3.970364900e+01 1.68 3.634490661e+01 1.70 3.327316645e+01 1.72 3.050735298e+01 1.74 2.803800776e+01 1.76 2.578853383e+01 1.78 2.365122164e+01 1.80 2.159605501e+01 1.82 1.968553273e+01 1.84 1.796645921e+01 1.86 1.632314728e+01 1.88 1.483223891e+01 1.90 1.351851881e+01 1.92 1.236953330e+01 1.94 1.134984130e+01 1.96 1.042715653e+01 1.98 9.573768614e+00 2.00 8.766305700e+00 2.02 7.995835922e+00 2.04 7.217416015e+00 2.06 6.345858727e+00 2.08 5.563337689e+00 2.10 4.861878501e+00 2.12 3.990016871e+00 2.14 3.164708483e+00 2.16 2.373816626e+00 2.18 1.631620402e+00 2.20 9.436592250e-01 2.22 2.850368482e-01 2.24 -3.387554930e-01 2.26 -9.115253200e-01 2.28 -1.421278767e+00 2.30 -1.883332643e+00 2.32 -2.305493612e+00 2.34 -2.692547495e+00 2.36 -3.031771765e+00 2.38 -3.372927512e+00 2.40 -3.705221271e+00 2.42 -4.046566179e+00 2.44 -4.389737220e+00 2.46 -4.694717799e+00 2.48 -4.941703015e+00 2.50 -5.144098876e+00 2.52 -5.316710789e+00 2.54 -5.462583702e+00 2.56 -5.586076693e+00 2.58 -5.695318754e+00 2.60 -5.794975220e+00 2.62 -5.890073402e+00 2.64 -5.978561739e+00 2.66 -6.058040461e+00 2.68 -6.126633029e+00 2.70 -6.170292108e+00 2.72 -6.184686402e+00 2.74 -6.185797035e+00 2.76 -6.189495199e+00 2.78 -6.196932804e+00 2.80 -6.198687704e+00 2.82 -6.183634778e+00 2.84 -6.148600340e+00 2.86 -6.106185418e+00 2.88 -6.069117882e+00 2.90 -6.042904650e+00 2.92 -6.023848610e+00 2.94 -5.997449073e+00 2.96 -5.958560417e+00 2.98 -5.910187030e+00 3.00 -5.853731204e+00 3.02 -5.784418051e+00 3.04 -5.694749522e+00 3.06 -5.587283784e+00 3.08 -5.475959485e+00 3.10 -5.374843718e+00 3.12 -5.283435902e+00 3.14 -5.194258868e+00 3.16 -5.099456913e+00 3.18 -4.985457395e+00 3.20 -4.848085192e+00 3.22 -4.707344165e+00 3.24 -4.610328026e+00 3.26 -4.539639827e+00 3.28 -4.466877104e+00 3.30 -4.387760810e+00 3.32 -4.298182425e+00 3.34 -4.196844021e+00 3.36 -4.083667058e+00 3.38 -3.959150996e+00 3.40 -3.824354996e+00 3.42 -3.681778119e+00 3.44 -3.534962528e+00 3.46 -3.387196438e+00 3.48 -3.241546832e+00 3.50 -3.101099025e+00 3.52 -2.970314291e+00 3.54 -2.850715187e+00 3.56 -2.741500247e+00 3.58 -2.644648068e+00 3.60 -2.560961280e+00 3.62 -2.487941519e+00 3.64 -2.423750758e+00 3.66 -2.364979030e+00 3.68 -2.305685932e+00 3.70 -2.239965052e+00 3.72 -2.161810773e+00 3.74 -2.070662566e+00 3.76 -1.975398424e+00 3.78 -1.886663638e+00 3.80 -1.814887068e+00 3.82 -1.748019315e+00 3.84 -1.679927004e+00 3.86 -1.612731862e+00 3.88 -1.547788490e+00 3.90 -1.485515877e+00 3.92 -1.426287251e+00 3.94 -1.370230343e+00 3.96 -1.316887811e+00 3.98 -1.265776074e+00 4.00 -1.216885385e+00 4.02 -1.170754479e+00 4.04 -1.127932396e+00 4.06 -1.088971507e+00 4.08 -1.054285290e+00 4.10 -1.024060712e+00 4.12 -9.979701854e-01 4.14 -9.753233335e-01 4.16 -9.554338585e-01 4.18 -9.376223774e-01 4.20 -9.212293122e-01 4.22 -9.057312146e-01 4.24 -8.908190437e-01 4.26 -8.762565610e-01 4.28 -8.618064962e-01 4.30 -8.472289663e-01 4.32 -8.322829028e-01 4.34 -8.167701764e-01 4.36 -8.007452147e-01 4.38 -7.843580643e-01 4.40 -7.677703881e-01 4.42 -7.511579951e-01 4.44 -7.347171248e-01 4.46 -7.187389004e-01 4.48 -7.034356751e-01 4.50 -6.886875268e-01 4.52 -6.743328019e-01 4.54 -6.601897750e-01 4.56 -6.460531097e-01 4.58 -6.315285966e-01 4.60 -6.160632061e-01 4.62 -5.996768344e-01 4.64 -5.827308625e-01 4.66 -5.656162699e-01 4.68 -5.487516594e-01 4.70 -5.326450763e-01 4.72 -5.178636333e-01 4.74 -5.048499329e-01 4.76 -4.934672812e-01 4.78 -4.834112620e-01 4.80 -4.743752268e-01 4.82 -4.661036368e-01 4.84 -4.583722135e-01 4.86 -4.509552292e-01 4.88 -4.436628185e-01 4.90 -4.365302180e-01 4.92 -4.296560154e-01 4.94 -4.231159035e-01 4.96 -4.169841290e-01 4.98 -4.113341014e-01 5.00 -4.062432745e-01 5.02 -4.017048242e-01 5.04 -3.974158526e-01 5.06 -3.930901009e-01 5.08 -3.884445030e-01 5.10 -3.831993390e-01 5.12 -3.770789573e-01 5.14 -3.698465873e-01 5.16 -3.616473950e-01 5.18 -3.528329158e-01 5.20 -3.437540341e-01 5.22 -3.347600300e-01 5.24 -3.261994426e-01 5.26 -3.184300309e-01 5.28 -3.119146304e-01 5.30 -3.067568833e-01 5.32 -3.028960695e-01 5.34 -3.002722285e-01 5.36 -2.988252024e-01 5.38 -2.981160922e-01 5.40 -2.965822861e-01 5.42 -2.938862280e-01 5.44 -2.902070844e-01 5.46 -2.857729002e-01 5.48 -2.808113245e-01 5.50 -2.755498609e-01 5.52 -2.702162045e-01 5.54 -2.650451825e-01 5.56 -2.602116283e-01 5.58 -2.557282526e-01 5.60 -2.515954252e-01 5.62 -2.478147251e-01 5.64 -2.443879005e-01 5.66 -2.413150770e-01 5.68 -2.385015935e-01 5.70 -2.356082079e-01 5.72 -2.323147389e-01 5.74 -2.283077981e-01 5.76 -2.232801552e-01 5.78 -2.169296144e-01 5.80 -2.089592482e-01 5.82 -1.993354890e-01 5.84 -1.884552517e-01 5.86 -1.767422941e-01 5.88 -1.646197541e-01 5.90 -1.525137658e-01 5.92 -1.408533282e-01 5.94 -1.300415645e-01 5.96 -1.200422163e-01 5.98 -1.104875353e-01 6.00 -1.010043384e-01