# 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 = HfTiZr2 # 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 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 2.319207594e+02 2.319207594e+02 1.28 2.165283737e+02 2.165283737e+02 1.30 2.022103109e+02 2.022103109e+02 1.32 1.888853333e+02 1.888853333e+02 1.34 1.764718126e+02 1.764718126e+02 1.36 1.648955560e+02 1.648955560e+02 1.38 1.540889426e+02 1.540889426e+02 1.40 1.439868376e+02 1.439868376e+02 1.42 1.345318504e+02 1.345318504e+02 1.44 1.256839309e+02 1.256839309e+02 1.46 1.174153690e+02 1.174153690e+02 1.48 1.096958798e+02 1.096958798e+02 1.50 1.024834379e+02 1.024834379e+02 1.52 9.573204639e+01 9.573204639e+01 1.54 8.940438053e+01 8.940438059e+01 1.56 8.347339848e+01 8.347339848e+01 1.58 7.791591760e+01 7.791591760e+01 1.60 7.270482557e+01 7.270482557e+01 1.62 6.781106936e+01 6.781106936e+01 1.64 6.320960943e+01 6.320960943e+01 1.66 5.888378504e+01 5.888378504e+01 1.68 5.482276897e+01 5.482276897e+01 1.70 5.101723250e+01 5.101723250e+01 1.72 4.745573714e+01 4.745573714e+01 1.74 4.412482098e+01 4.412482098e+01 1.76 4.100791950e+01 4.100791950e+01 1.78 3.808794706e+01 3.808794706e+01 1.80 3.534818927e+01 3.534818927e+01 1.82 3.277404411e+01 3.277404411e+01 1.84 3.035476809e+01 3.035476809e+01 1.86 2.808252006e+01 2.808252006e+01 1.88 2.595026756e+01 2.595026756e+01 1.90 2.394945810e+01 2.394945810e+01 1.92 2.206954079e+01 2.206954079e+01 1.94 2.029871256e+01 2.029871256e+01 1.96 1.862638123e+01 1.862638123e+01 1.98 1.704490442e+01 1.704490442e+01 2.00 1.554927016e+01 1.554927016e+01 2.02 1.413579164e+01 1.413579164e+01 2.04 1.280087072e+01 1.280087072e+01 2.06 1.154102279e+01 1.154102279e+01 2.08 1.035336499e+01 1.035336499e+01 2.10 9.235535767e+00 9.235535767e+00 2.12 8.185508830e+00 8.185508830e+00 2.14 7.200828621e+00 7.200828621e+00 2.16 6.278512564e+00 6.278512564e+00 2.18 5.414675506e+00 5.414675506e+00 2.20 4.604931299e+00 4.604931299e+00 2.22 3.845065547e+00 3.845065547e+00 2.24 3.131829429e+00 3.131829429e+00 2.26 2.463116253e+00 2.463116253e+00 2.28 1.837592634e+00 1.837592634e+00 2.30 1.254367002e+00 1.254367002e+00 2.32 7.116470051e-01 7.116470051e-01 2.34 2.066357443e-01 2.066357443e-01 2.36 -2.640492125e-01 -2.640492125e-01 2.38 -7.038308931e-01 -7.038308931e-01 2.40 -1.115458567e+00 -1.115458567e+00 2.42 -1.501011035e+00 -1.501011035e+00 2.44 -1.861948494e+00 -1.861948494e+00 2.46 -2.199296648e+00 -2.199296648e+00 2.48 -2.513843842e+00 -2.513843842e+00 2.50 -2.806352998e+00 -2.806352998e+00 2.52 -3.077774924e+00 -3.077774924e+00 2.54 -3.329398156e+00 -3.329398156e+00 2.56 -3.562865147e+00 -3.562865147e+00 2.58 -3.779978205e+00 -3.779978205e+00 2.60 -3.982775582e+00 -3.982775582e+00 2.62 -4.172848176e+00 -4.172848176e+00 2.64 -4.351508675e+00 -4.351508675e+00 2.66 -4.519598345e+00 -4.519598345e+00 2.68 -4.677507982e+00 -4.677507982e+00 2.70 -4.825323965e+00 -4.825323965e+00 2.72 -4.963036193e+00 -4.963036193e+00 2.74 -5.090638364e+00 -5.090638364e+00 2.76 -5.208435253e+00 -5.208435253e+00 2.78 -5.316688037e+00 -5.316688037e+00 2.80 -5.415838718e+00 -5.415838718e+00 2.82 -5.506412479e+00 -5.506412479e+00 2.84 -5.588078923e+00 -5.588078923e+00 2.86 -5.660080565e+00 -5.660080565e+00 2.88 -5.723111732e+00 -5.723111732e+00 2.90 -5.777637880e+00 -5.777637880e+00 2.92 -5.824353618e+00 -5.824353618e+00 2.94 -5.863849208e+00 -5.863849208e+00 2.96 -5.896600585e+00 -5.896600585e+00 2.98 -5.923005820e+00 -5.923005820e+00 3.00 -5.943339254e+00 -5.943339254e+00 3.02 -5.958044924e+00 -5.958044924e+00 3.04 -5.967342625e+00 -5.967342625e+00 3.06 -5.971466369e+00 -5.971466369e+00 3.08 -5.970847212e+00 -5.970847212e+00 3.10 -5.965419685e+00 -5.965419685e+00 3.12 -5.955246066e+00 -5.955246066e+00 3.14 -5.940482134e+00 -5.940482134e+00 3.16 -5.921197478e+00 -5.921197478e+00 3.18 -5.897503361e+00 -5.897503361e+00 3.20 -5.869559795e+00 -5.869559795e+00 3.22 -5.837555071e+00 -5.837555071e+00 3.24 -5.801679972e+00 -5.801679972e+00 3.26 -5.762108632e+00 -5.762108632e+00 3.28 -5.718991497e+00 -5.718991497e+00 3.30 -5.672459209e+00 -5.672459209e+00 3.32 -5.622633753e+00 -5.622633753e+00 3.34 -5.569624589e+00 -5.569624589e+00 3.36 -5.513651780e+00 -5.513651780e+00 3.38 -5.454932112e+00 -5.454932112e+00 3.40 -5.393822886e+00 -5.393822886e+00 3.42 -5.330809416e+00 -5.330809416e+00 3.44 -5.266486525e+00 -5.266486525e+00 3.46 -5.201501140e+00 -5.201501140e+00 3.48 -5.136469714e+00 -5.136469714e+00 3.50 -5.071897054e+00 -5.071897054e+00 3.52 -5.008121928e+00 -5.008121928e+00 3.54 -4.945302051e+00 -4.945302051e+00 3.56 -4.883434936e+00 -4.883434936e+00 3.58 -4.822400042e+00 -4.822400042e+00 3.60 -4.762006896e+00 -4.762006896e+00 3.62 -4.702037838e+00 -4.702037838e+00 3.64 -4.642280508e+00 -4.642280508e+00 3.66 -4.582549584e+00 -4.582549584e+00 3.68 -4.522698820e+00 -4.522698820e+00 3.70 -4.462625033e+00 -4.462625033e+00 3.72 -4.402264627e+00 -4.402264627e+00 3.74 -4.341584240e+00 -4.341584240e+00 3.76 -4.280567499e+00 -4.280567499e+00 3.78 -4.219201513e+00 -4.219201513e+00 3.80 -4.157466707e+00 -4.157466707e+00 3.82 -4.095331969e+00 -4.095331969e+00 3.84 -4.032755767e+00 -4.032755767e+00 3.86 -3.969650530e+00 -3.969650530e+00 3.88 -3.906064267e+00 -3.906064267e+00 3.90 -3.841918577e+00 -3.841918577e+00 3.92 -3.777216373e+00 -3.777216373e+00 3.94 -3.712004720e+00 -3.712004720e+00 3.96 -3.646388464e+00 -3.646388464e+00 3.98 -3.580539317e+00 -3.580539317e+00 4.00 -3.514696342e+00 -3.514696342e+00 4.02 -3.449168418e+00 -3.449168418e+00 4.04 -3.384120064e+00 -3.384120064e+00 4.06 -3.320197894e+00 -3.320197894e+00 4.08 -3.257533850e+00 -3.257533850e+00 4.10 -3.196370528e+00 -3.196370528e+00 4.12 -3.136873509e+00 -3.136873509e+00 4.14 -3.079126957e+00 -3.079126957e+00 4.16 -3.023140596e+00 -3.023140596e+00 4.18 -2.968864040e+00 -2.968864040e+00 4.20 -2.916203827e+00 -2.916203827e+00 4.22 -2.865039442e+00 -2.865039442e+00 4.24 -2.815236088e+00 -2.815236088e+00 4.26 -2.766653549e+00 -2.766653549e+00 4.28 -2.719151739e+00 -2.719151739e+00 4.30 -2.672593987e+00 -2.672593987e+00 4.32 -2.626849471e+00 -2.626849471e+00 4.34 -2.581796037e+00 -2.581796037e+00 4.36 -2.537323942e+00 -2.537323942e+00 4.38 -2.493340332e+00 -2.493340332e+00 4.40 -2.449773380e+00 -2.449773380e+00 4.42 -2.406574875e+00 -2.406574875e+00 4.44 -2.363720382e+00 -2.363720382e+00 4.46 -2.321206861e+00 -2.321206861e+00 4.48 -2.279048164e+00 -2.279048164e+00 4.50 -2.237269694e+00 -2.237269694e+00 4.52 -2.195903225e+00 -2.195903225e+00 4.54 -2.154982559e+00 -2.154982559e+00 4.56 -2.114540335e+00 -2.114540335e+00 4.58 -2.074606008e+00 -2.074606008e+00 4.60 -2.035204773e+00 -2.035204773e+00 4.62 -1.996357215e+00 -1.996357215e+00 4.64 -1.958079375e+00 -1.958079375e+00 4.66 -1.920383069e+00 -1.920383069e+00 4.68 -1.883276346e+00 -1.883276346e+00 4.70 -1.846764025e+00 -1.846764025e+00 4.72 -1.810752982e+00 -1.810752982e+00 4.74 -1.775449973e+00 -1.775449973e+00 4.76 -1.740736986e+00 -1.740736986e+00 4.78 -1.706610281e+00 -1.706610281e+00 4.80 -1.673064430e+00 -1.673064430e+00 4.82 -1.640092514e+00 -1.640092514e+00 4.84 -1.607686265e+00 -1.607686265e+00 4.86 -1.575836167e+00 -1.575836167e+00 4.88 -1.544531517e+00 -1.544531517e+00 4.90 -1.513760463e+00 -1.513760463e+00 4.92 -1.483510021e+00 -1.483510021e+00 4.94 -1.453766089e+00 -1.453766089e+00 4.96 -1.424513455e+00 -1.424513455e+00 4.98 -1.395735842e+00 -1.395735842e+00 5.00 -1.367415976e+00 -1.367415976e+00 5.02 -1.339535727e+00 -1.339535727e+00 5.04 -1.312076332e+00 -1.312076332e+00 5.06 -1.285018727e+00 -1.285018727e+00 5.08 -1.258344023e+00 -1.258344023e+00 5.10 -1.232034112e+00 -1.232034112e+00 5.12 -1.206072444e+00 -1.206072444e+00 5.14 -1.180444874e+00 -1.180444874e+00 5.16 -1.155140596e+00 -1.155140596e+00 5.18 -1.130152936e+00 -1.130152936e+00 5.20 -1.105479988e+00 -1.105479988e+00 5.22 -1.081124770e+00 -1.081124770e+00 5.24 -1.057094884e+00 -1.057094884e+00 5.26 -1.033401477e+00 -1.033401477e+00 5.28 -1.010057589e+00 -1.010057589e+00 5.30 -9.870760269e-01 -9.870760269e-01 5.32 -9.644669879e-01 -9.644669879e-01 5.34 -9.422358861e-01 -9.422358861e-01 5.36 -9.203815596e-01 -9.203815596e-01 5.38 -8.988953150e-01 -8.988953150e-01 5.40 -8.777607209e-01 -8.777607209e-01 5.42 -8.569543394e-01 -8.569543394e-01 5.44 -8.364471123e-01 -8.364471123e-01 5.46 -8.162063331e-01 -8.162063331e-01 5.48 -7.961979709e-01 -7.961979709e-01 5.50 -7.763891469e-01 -7.763891469e-01 5.52 -7.567507110e-01 -7.567507110e-01 5.54 -7.372596262e-01 -7.372596262e-01 5.56 -7.179012474e-01 -7.179012474e-01 5.58 -6.986710675e-01 -6.986710675e-01 5.60 -6.795760617e-01 -6.795760617e-01 5.62 -6.606351207e-01 -6.606351207e-01 5.64 -6.418787213e-01 -6.418787213e-01 5.66 -6.233474402e-01 -6.233474402e-01 5.68 -6.050895549e-01 -6.050895549e-01 5.70 -5.871577312e-01 -5.871577312e-01 5.72 -5.696051329e-01 -5.696051329e-01 5.74 -5.524814354e-01 -5.524814354e-01 5.76 -5.358290333e-01 -5.358290333e-01 5.78 -5.196801119e-01 -5.196801119e-01 5.80 -5.040545818e-01 -5.040545818e-01 5.82 -4.889593716e-01 -4.889593716e-01 5.84 -4.743887144e-01 -4.743887144e-01 5.86 -4.603255752e-01 -4.603255752e-01 5.88 -4.467436990e-01 -4.467436990e-01 5.90 -4.336101928e-01 -4.336101928e-01 5.92 -4.208882330e-01 -4.208882330e-01 5.94 -4.085397248e-01 -4.085397248e-01 5.96 -3.965276863e-01 -3.965276863e-01 5.98 -3.848182356e-01 -3.848182356e-01 6.00 -3.733821064e-01 -3.733821064e-01