# 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 = NbTaZr2 # 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 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 2.707311462e+02 2.707311462e+02 1.08 2.468832920e+02 2.468832920e+02 1.10 2.253723945e+02 2.253723945e+02 1.12 2.061801362e+02 2.061801362e+02 1.14 1.881615961e+02 1.881615961e+02 1.16 1.722414607e+02 1.722414607e+02 1.18 1.585034906e+02 1.585034906e+02 1.20 1.453768963e+02 1.453768963e+02 1.22 1.332263810e+02 1.332263810e+02 1.24 1.223477539e+02 1.223477539e+02 1.26 1.123134825e+02 1.123134825e+02 1.28 1.029650202e+02 1.029650202e+02 1.30 9.463956975e+01 9.463956975e+01 1.32 8.718907748e+01 8.718907748e+01 1.34 8.035652744e+01 8.035652744e+01 1.36 7.388281078e+01 7.388281078e+01 1.38 6.810643139e+01 6.810643139e+01 1.40 6.277129066e+01 6.277129066e+01 1.42 5.755964227e+01 5.755964227e+01 1.44 5.272808669e+01 5.272808669e+01 1.46 4.826861761e+01 4.826861761e+01 1.48 4.426750804e+01 4.426750804e+01 1.50 4.063659119e+01 4.063659119e+01 1.52 3.715087088e+01 3.715087088e+01 1.54 3.393518136e+01 3.393518136e+01 1.56 3.096321098e+01 3.096321098e+01 1.58 2.824380134e+01 2.824380134e+01 1.60 2.582228031e+01 2.582228031e+01 1.62 2.373919819e+01 2.373919819e+01 1.64 2.182328259e+01 2.182328259e+01 1.66 1.998453602e+01 1.998453602e+01 1.68 1.825431553e+01 1.825431553e+01 1.70 1.669567067e+01 1.669567067e+01 1.72 1.534753605e+01 1.534753605e+01 1.74 1.411805343e+01 1.411805343e+01 1.76 1.291198628e+01 1.291198628e+01 1.78 1.183210106e+01 1.183210106e+01 1.80 1.095292876e+01 1.095292876e+01 1.82 1.006781291e+01 1.006781291e+01 1.84 9.220924857e+00 9.220924857e+00 1.86 8.388795812e+00 8.388795812e+00 1.88 7.625000172e+00 7.625000172e+00 1.90 6.948228958e+00 6.948228958e+00 1.92 6.353302936e+00 6.353302936e+00 1.94 5.861257551e+00 5.861257551e+00 1.96 5.401852317e+00 5.401852317e+00 1.98 4.884229005e+00 4.884229005e+00 2.00 4.263189031e+00 4.263189031e+00 2.02 3.652300880e+00 3.652300880e+00 2.04 3.181632612e+00 3.181632612e+00 2.06 2.843789070e+00 2.843789070e+00 2.08 2.546203426e+00 2.546203426e+00 2.10 2.285603837e+00 2.285603837e+00 2.12 2.033004325e+00 2.033004325e+00 2.14 1.775287255e+00 1.775287255e+00 2.16 1.520117040e+00 1.520117040e+00 2.18 1.262948949e+00 1.262948949e+00 2.20 1.004637595e+00 1.004637595e+00 2.22 7.416045091e-01 7.416045091e-01 2.24 4.799365600e-01 4.799365600e-01 2.26 2.238446381e-01 2.238446381e-01 2.28 -1.352804194e-01 -1.352804194e-01 2.30 -5.740352910e-01 -5.740352910e-01 2.32 -9.778284966e-01 -9.778284966e-01 2.34 -1.371988395e+00 -1.371988395e+00 2.36 -1.785305711e+00 -1.785305711e+00 2.38 -2.214800557e+00 -2.214800557e+00 2.40 -2.613776534e+00 -2.613776534e+00 2.42 -2.934856739e+00 -2.934856739e+00 2.44 -3.228221810e+00 -3.228221810e+00 2.46 -3.504921830e+00 -3.504921830e+00 2.48 -3.782419484e+00 -3.782419484e+00 2.50 -4.036839287e+00 -4.036839287e+00 2.52 -4.270229641e+00 -4.270229641e+00 2.54 -4.487164430e+00 -4.487164430e+00 2.56 -4.706351871e+00 -4.706351871e+00 2.58 -4.921845544e+00 -4.921845544e+00 2.60 -5.140510453e+00 -5.140510453e+00 2.62 -5.370027994e+00 -5.370027994e+00 2.64 -5.602921842e+00 -5.602921842e+00 2.66 -5.817028479e+00 -5.817028479e+00 2.68 -6.001349876e+00 -6.001349876e+00 2.70 -6.152834418e+00 -6.152834418e+00 2.72 -6.285600902e+00 -6.285600902e+00 2.74 -6.401748294e+00 -6.401748294e+00 2.76 -6.503758480e+00 -6.503758480e+00 2.78 -6.596225428e+00 -6.596225428e+00 2.80 -6.675272834e+00 -6.675272834e+00 2.82 -6.742805146e+00 -6.742805146e+00 2.84 -6.800558528e+00 -6.800558528e+00 2.86 -6.845068293e+00 -6.845068293e+00 2.88 -6.876475569e+00 -6.876475569e+00 2.90 -6.901055138e+00 -6.901055138e+00 2.92 -6.923702258e+00 -6.923702258e+00 2.94 -6.939332948e+00 -6.939332948e+00 2.96 -6.943018194e+00 -6.943018194e+00 2.98 -6.937357123e+00 -6.937357123e+00 3.00 -6.927834502e+00 -6.927834502e+00 3.02 -6.915457038e+00 -6.915457038e+00 3.04 -6.897934349e+00 -6.897934349e+00 3.06 -6.876505554e+00 -6.876505554e+00 3.08 -6.854823425e+00 -6.854823425e+00 3.10 -6.838212886e+00 -6.838212886e+00 3.12 -6.827486750e+00 -6.827486750e+00 3.14 -6.812324625e+00 -6.812324625e+00 3.16 -6.782192003e+00 -6.782192003e+00 3.18 -6.725540840e+00 -6.725540840e+00 3.20 -6.650357254e+00 -6.650357254e+00 3.22 -6.578440127e+00 -6.578440127e+00 3.24 -6.531801129e+00 -6.531801129e+00 3.26 -6.499572494e+00 -6.499572494e+00 3.28 -6.465226477e+00 -6.465226477e+00 3.30 -6.429028846e+00 -6.429028846e+00 3.32 -6.390661254e+00 -6.390661254e+00 3.34 -6.349324429e+00 -6.349324429e+00 3.36 -6.303933761e+00 -6.303933761e+00 3.38 -6.253231323e+00 -6.253231323e+00 3.40 -6.195672763e+00 -6.195672763e+00 3.42 -6.130228546e+00 -6.130228546e+00 3.44 -6.056922862e+00 -6.056922862e+00 3.46 -5.976127340e+00 -5.976127340e+00 3.48 -5.889094275e+00 -5.889094275e+00 3.50 -5.800301677e+00 -5.800301677e+00 3.52 -5.717074891e+00 -5.717074891e+00 3.54 -5.644555433e+00 -5.644555433e+00 3.56 -5.583749275e+00 -5.583749275e+00 3.58 -5.533045616e+00 -5.533045616e+00 3.60 -5.489152776e+00 -5.489152776e+00 3.62 -5.448148729e+00 -5.448148729e+00 3.64 -5.405252962e+00 -5.405252962e+00 3.66 -5.357617836e+00 -5.357617836e+00 3.68 -5.304927357e+00 -5.304927357e+00 3.70 -5.247839576e+00 -5.247839576e+00 3.72 -5.187302690e+00 -5.187302690e+00 3.74 -5.125381193e+00 -5.125381193e+00 3.76 -5.064915052e+00 -5.064915052e+00 3.78 -5.008547903e+00 -5.008547903e+00 3.80 -4.959131346e+00 -4.959131346e+00 3.82 -4.909484089e+00 -4.909484089e+00 3.84 -4.852536700e+00 -4.852536700e+00 3.86 -4.782912230e+00 -4.782912230e+00 3.88 -4.693579467e+00 -4.693579467e+00 3.90 -4.574906637e+00 -4.574906637e+00 3.92 -4.419086157e+00 -4.419086157e+00 3.94 -4.225658065e+00 -4.225658065e+00 3.96 -4.007305635e+00 -4.007305635e+00 3.98 -3.774466867e+00 -3.774466867e+00 4.00 -3.529155167e+00 -3.529155167e+00 4.02 -3.279499689e+00 -3.279499689e+00 4.04 -3.056531127e+00 -3.056531127e+00 4.06 -2.887785224e+00 -2.887785224e+00 4.08 -2.767395468e+00 -2.767395468e+00 4.10 -2.671164929e+00 -2.671164929e+00 4.12 -2.584081044e+00 -2.584081044e+00 4.14 -2.501139654e+00 -2.501139654e+00 4.16 -2.423709495e+00 -2.423709495e+00 4.18 -2.352522179e+00 -2.352522179e+00 4.20 -2.287568872e+00 -2.287568872e+00 4.22 -2.228706197e+00 -2.228706197e+00 4.24 -2.175126852e+00 -2.175126852e+00 4.26 -2.125462335e+00 -2.125462335e+00 4.28 -2.078242218e+00 -2.078242218e+00 4.30 -2.031979918e+00 -2.031979918e+00 4.32 -1.985179308e+00 -1.985179308e+00 4.34 -1.936742723e+00 -1.936742723e+00 4.36 -1.887416783e+00 -1.887416783e+00 4.38 -1.838624307e+00 -1.838624307e+00 4.40 -1.791904591e+00 -1.791904591e+00 4.42 -1.748638605e+00 -1.748638605e+00 4.44 -1.710046505e+00 -1.710046505e+00 4.46 -1.676954477e+00 -1.676954477e+00 4.48 -1.648798271e+00 -1.648798271e+00 4.50 -1.624346680e+00 -1.624346680e+00 4.52 -1.602292411e+00 -1.602292411e+00 4.54 -1.581276742e+00 -1.581276742e+00 4.56 -1.559919558e+00 -1.559919558e+00 4.58 -1.537051330e+00 -1.537051330e+00 4.60 -1.511953987e+00 -1.511953987e+00 4.62 -1.484348243e+00 -1.484348243e+00 4.64 -1.454314441e+00 -1.454314441e+00 4.66 -1.422045260e+00 -1.422045260e+00 4.68 -1.387928583e+00 -1.387928583e+00 4.70 -1.352672772e+00 -1.352672772e+00 4.72 -1.317143488e+00 -1.317143488e+00 4.74 -1.282030677e+00 -1.282030677e+00 4.76 -1.247620863e+00 -1.247620863e+00 4.78 -1.213984329e+00 -1.213984329e+00 4.80 -1.181092102e+00 -1.181092102e+00 4.82 -1.149025969e+00 -1.149025969e+00 4.84 -1.117956112e+00 -1.117956112e+00 4.86 -1.088061301e+00 -1.088061301e+00 4.88 -1.059441166e+00 -1.059441166e+00 4.90 -1.031958138e+00 -1.031958138e+00 4.92 -1.005476493e+00 -1.005476493e+00 4.94 -9.800772818e-01 -9.800772818e-01 4.96 -9.559189981e-01 -9.559189981e-01 4.98 -9.331540851e-01 -9.331540851e-01 5.00 -9.119304445e-01 -9.119304445e-01 5.02 -8.924766499e-01 -8.924766499e-01 5.04 -8.749118372e-01 -8.749118372e-01 5.06 -8.586924930e-01 -8.586924930e-01 5.08 -8.431388122e-01 -8.431388122e-01 5.10 -8.275747780e-01 -8.275747780e-01 5.12 -8.113274510e-01 -8.113274510e-01 5.14 -7.937760191e-01 -7.937760191e-01 5.16 -7.748317500e-01 -7.748317500e-01 5.18 -7.549045882e-01 -7.549045882e-01 5.20 -7.343289158e-01 -7.343289158e-01 5.22 -7.133227133e-01 -7.133227133e-01 5.24 -6.920209926e-01 -6.920209926e-01 5.26 -6.705459779e-01 -6.705459779e-01 5.28 -6.492655905e-01 -6.492655905e-01 5.30 -6.287400236e-01 -6.287400236e-01 5.32 -6.099000930e-01 -6.099000930e-01 5.34 -5.940735062e-01 -5.940735062e-01 5.36 -5.827980613e-01 -5.827980613e-01 5.38 -5.761736800e-01 -5.761736800e-01 5.40 -5.699235953e-01 -5.699235953e-01 5.42 -5.634288980e-01 -5.634288980e-01 5.44 -5.566778385e-01 -5.566778385e-01 5.46 -5.496554614e-01 -5.496554614e-01 5.48 -5.423439624e-01 -5.423439624e-01 5.50 -5.347206559e-01 -5.347206559e-01 5.52 -5.267558830e-01 -5.267558830e-01 5.54 -5.183987615e-01 -5.183987615e-01 5.56 -5.095280154e-01 -5.095280154e-01 5.58 -5.000429193e-01 -5.000429193e-01 5.60 -4.898471389e-01 -4.898471389e-01 5.62 -4.788444734e-01 -4.788444734e-01 5.64 -4.669402753e-01 -4.669402753e-01 5.66 -4.540431869e-01 -4.540431869e-01 5.68 -4.401145257e-01 -4.401145257e-01 5.70 -4.252949227e-01 -4.252949227e-01 5.72 -4.097557893e-01 -4.097557893e-01 5.74 -3.936650081e-01 -3.936650081e-01 5.76 -3.771715634e-01 -3.771715634e-01 5.78 -3.604097637e-01 -3.604097637e-01 5.80 -3.434979311e-01 -3.434979311e-01 5.82 -3.265315815e-01 -3.265315815e-01 5.84 -3.096732786e-01 -3.096732786e-01 5.86 -2.931804484e-01 -2.931804484e-01 5.88 -2.773131419e-01 -2.773131419e-01 5.90 -2.626864195e-01 -2.626864195e-01 5.92 -2.500539474e-01 -2.500539474e-01 5.94 -2.397012435e-01 -2.397012435e-01 5.96 -2.312625510e-01 -2.312625510e-01 5.98 -2.235372906e-01 -2.235372906e-01 6.00 -2.152469311e-01 -2.152469311e-01