# 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 = NbZr2 # 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 3.158135158e+02 0.98 2.836927511e+02 1.00 2.556215187e+02 1.02 2.302821386e+02 1.04 2.078940010e+02 1.06 1.881246026e+02 1.08 1.703458752e+02 1.10 1.548627030e+02 1.12 1.414011390e+02 1.14 1.287730815e+02 1.16 1.176574088e+02 1.18 1.080266218e+02 1.20 9.888709518e+01 1.22 9.059316460e+01 1.24 8.327557695e+01 1.26 7.656035138e+01 1.28 7.043196170e+01 1.30 6.497293212e+01 1.32 5.990914638e+01 1.34 5.508743111e+01 1.36 5.044292686e+01 1.38 4.636188155e+01 1.40 4.260801112e+01 1.42 3.894980287e+01 1.44 3.556528606e+01 1.46 3.239923700e+01 1.48 2.951076278e+01 1.50 2.693999419e+01 1.52 2.459424480e+01 1.54 2.247080919e+01 1.56 2.044631583e+01 1.58 1.853068461e+01 1.60 1.681027574e+01 1.62 1.531203447e+01 1.64 1.392191464e+01 1.66 1.258192036e+01 1.68 1.128676756e+01 1.70 1.010267141e+01 1.72 9.101301529e+00 1.74 8.217124920e+00 1.76 7.359786102e+00 1.78 6.585909741e+00 1.80 5.945960212e+00 1.82 5.306465696e+00 1.84 4.718728264e+00 1.86 4.100184595e+00 1.88 3.518717849e+00 1.90 3.002660653e+00 1.92 2.564809525e+00 1.94 2.196893152e+00 1.96 1.867790698e+00 1.98 1.523000495e+00 2.00 1.135238705e+00 2.02 7.710274238e-01 2.04 4.990729417e-01 2.06 2.864229146e-01 2.08 -5.859106614e-02 2.10 -6.197605114e-01 2.12 -1.086285993e+00 2.14 -1.461626901e+00 2.16 -1.774730804e+00 2.18 -2.051977675e+00 2.20 -2.304577574e+00 2.22 -2.555699468e+00 2.24 -2.792252757e+00 2.26 -3.016047665e+00 2.28 -3.221826828e+00 2.30 -3.405224176e+00 2.32 -3.566229587e+00 2.34 -3.718088361e+00 2.36 -3.878700225e+00 2.38 -4.051691283e+00 2.40 -4.214605945e+00 2.42 -4.347055189e+00 2.44 -4.476973737e+00 2.46 -4.601110725e+00 2.48 -4.736056159e+00 2.50 -4.881464190e+00 2.52 -5.005169460e+00 2.54 -5.116053225e+00 2.56 -5.227511208e+00 2.58 -5.324940820e+00 2.60 -5.428680972e+00 2.62 -5.540620907e+00 2.64 -5.651198497e+00 2.66 -5.747733203e+00 2.68 -5.824486666e+00 2.70 -5.877683993e+00 2.72 -5.908764047e+00 2.74 -5.926743150e+00 2.76 -5.949501341e+00 2.78 -5.981983982e+00 2.80 -6.015638573e+00 2.82 -6.033707843e+00 2.84 -6.024350854e+00 2.86 -5.997982276e+00 2.88 -5.968570895e+00 2.90 -5.942398088e+00 2.92 -5.918769137e+00 2.94 -5.892427643e+00 2.96 -5.853971061e+00 2.98 -5.797372730e+00 3.00 -5.726711354e+00 3.02 -5.655506944e+00 3.04 -5.592946372e+00 3.06 -5.540147916e+00 3.08 -5.496525437e+00 3.10 -5.463014790e+00 3.12 -5.435818925e+00 3.14 -5.405065961e+00 3.16 -5.359578450e+00 3.18 -5.287988387e+00 3.20 -5.199052968e+00 3.22 -5.117709854e+00 3.24 -5.072113651e+00 3.26 -5.050294307e+00 3.28 -5.035440206e+00 3.30 -5.023902756e+00 3.32 -5.011744062e+00 3.34 -4.995621911e+00 3.36 -4.972211796e+00 3.38 -4.937713176e+00 3.40 -4.888029636e+00 3.42 -4.821355331e+00 3.44 -4.737807409e+00 3.46 -4.638935446e+00 3.48 -4.527759750e+00 3.50 -4.409171100e+00 3.52 -4.289299351e+00 3.54 -4.173060681e+00 3.56 -4.062747364e+00 3.58 -3.958192390e+00 3.60 -3.858091505e+00 3.62 -3.761282848e+00 3.64 -3.666986698e+00 3.66 -3.574843726e+00 3.68 -3.483232710e+00 3.70 -3.389080979e+00 3.72 -3.289361238e+00 3.74 -3.184336862e+00 3.76 -3.078577107e+00 3.78 -2.977709826e+00 3.80 -2.886568308e+00 3.82 -2.800992333e+00 3.84 -2.720049540e+00 3.86 -2.643882450e+00 3.88 -2.570646701e+00 3.90 -2.496048150e+00 3.92 -2.413203643e+00 3.94 -2.318420866e+00 3.96 -2.215103359e+00 3.98 -2.108603071e+00 4.00 -2.004980951e+00 4.02 -1.907516586e+00 4.04 -1.818339264e+00 4.06 -1.739942012e+00 4.08 -1.673436815e+00 4.10 -1.618334276e+00 4.12 -1.573457518e+00 4.14 -1.537083497e+00 4.16 -1.507402890e+00 4.18 -1.482576452e+00 4.20 -1.460845017e+00 4.22 -1.441200296e+00 4.24 -1.423142341e+00 4.26 -1.406247536e+00 4.28 -1.390093023e+00 4.30 -1.374258808e+00 4.32 -1.358326463e+00 4.34 -1.341930621e+00 4.36 -1.325043921e+00 4.38 -1.307734328e+00 4.40 -1.290087436e+00 4.42 -1.272224282e+00 4.44 -1.254315664e+00 4.46 -1.236663891e+00 4.48 -1.219540737e+00 4.50 -1.202881881e+00 4.52 -1.186555156e+00 4.54 -1.170378238e+00 4.56 -1.154108262e+00 4.58 -1.137261321e+00 4.60 -1.119160113e+00 4.62 -1.099579427e+00 4.64 -1.078658190e+00 4.66 -1.056629363e+00 4.68 -1.033776113e+00 4.70 -1.010450640e+00 4.72 -9.870079629e-01 4.74 -9.637160098e-01 4.76 -9.407372211e-01 4.78 -9.181923608e-01 4.80 -8.961962432e-01 4.82 -8.749229662e-01 4.84 -8.545887472e-01 4.86 -8.354283758e-01 4.88 -8.176261408e-01 4.90 -8.012355545e-01 4.92 -7.862897671e-01 4.94 -7.728020851e-01 4.96 -7.607870195e-01 4.98 -7.502488646e-01 5.00 -7.411469723e-01 5.02 -7.331954108e-01 5.04 -7.259204908e-01 5.06 -7.189041954e-01 5.08 -7.117271404e-01 5.10 -7.039607610e-01 5.12 -6.951583753e-01 5.14 -6.849297142e-01 5.16 -6.734169304e-01 5.18 -6.609237583e-01 5.20 -6.478260210e-01 5.22 -6.346159736e-01 5.24 -6.219170453e-01 5.26 -6.104846885e-01 5.28 -6.011211502e-01 5.30 -5.939525059e-01 5.32 -5.888458237e-01 5.34 -5.855952537e-01 5.36 -5.839460250e-01 5.38 -5.832294420e-01 5.40 -5.816196941e-01 5.42 -5.786528029e-01 5.44 -5.744581336e-01 5.46 -5.691961433e-01 5.48 -5.630219373e-01 5.50 -5.560831845e-01 5.52 -5.485178155e-01 5.54 -5.404392172e-01 5.56 -5.318172003e-01 5.58 -5.225333582e-01 5.60 -5.124669894e-01 5.62 -5.014995554e-01 5.64 -4.895158684e-01 5.66 -4.764062541e-01 5.68 -4.621115736e-01 5.70 -4.467665693e-01 5.72 -4.305506026e-01 5.74 -4.136284674e-01 5.76 -3.961670357e-01 5.78 -3.783204371e-01 5.80 -3.601946332e-01 5.82 -3.418807501e-01 5.84 -3.234991137e-01 5.86 -3.052757267e-01 5.88 -2.874326909e-01 5.90 -2.706560529e-01 5.92 -2.558225368e-01 5.94 -2.431851152e-01 5.96 -2.323983030e-01 5.98 -2.224360399e-01 6.00 -2.122126034e-01