# 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 = NbTi2 # 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 3.064074101e+02 1.12 2.839583864e+02 1.14 2.632753182e+02 1.16 2.441905880e+02 1.18 2.265493698e+02 1.20 2.102238055e+02 1.22 1.951090242e+02 1.24 1.811125789e+02 1.26 1.681439594e+02 1.28 1.561100837e+02 1.30 1.449204222e+02 1.32 1.344967445e+02 1.34 1.247785172e+02 1.36 1.157200115e+02 1.38 1.072849277e+02 1.40 9.943908418e+01 1.42 9.214265896e+01 1.44 8.535073653e+01 1.46 7.902112549e+01 1.48 7.312228939e+01 1.50 6.763301541e+01 1.52 6.252355129e+01 1.54 5.776558076e+01 1.56 5.333216798e+01 1.58 4.919900485e+01 1.60 4.534395574e+01 1.62 4.174697362e+01 1.64 3.839085371e+01 1.66 3.526063531e+01 1.68 3.234203151e+01 1.70 2.962125508e+01 1.72 2.708595049e+01 1.74 2.472498569e+01 1.76 2.252704518e+01 1.78 2.048011586e+01 1.80 1.857267431e+01 1.82 1.679496082e+01 1.84 1.513892125e+01 1.86 1.359728076e+01 1.88 1.216292547e+01 1.90 1.082902001e+01 1.92 9.589410547e+00 1.94 8.438707670e+00 1.96 7.371967712e+00 1.98 6.384306081e+00 2.00 5.470665191e+00 2.02 4.625767940e+00 2.04 3.844230051e+00 2.06 3.120827440e+00 2.08 2.450803008e+00 2.10 1.830012297e+00 2.12 1.254768636e+00 2.14 7.215047695e-01 2.16 2.265818557e-01 2.18 -2.335209756e-01 2.20 -6.617361341e-01 2.22 -1.060075213e+00 2.24 -1.429695477e+00 2.26 -1.771256158e+00 2.28 -2.085303225e+00 2.30 -2.372574165e+00 2.32 -2.634223753e+00 2.34 -2.871974477e+00 2.36 -3.088130262e+00 2.38 -3.285379986e+00 2.40 -3.466425391e+00 2.42 -3.633623744e+00 2.44 -3.788893870e+00 2.46 -3.933536040e+00 2.48 -4.068243034e+00 2.50 -4.193341876e+00 2.52 -4.308273863e+00 2.54 -4.411877597e+00 2.56 -4.504433811e+00 2.58 -4.586341980e+00 2.60 -4.658122256e+00 2.62 -4.720331542e+00 2.64 -4.773552748e+00 2.66 -4.818461023e+00 2.68 -4.855746713e+00 2.70 -4.886068447e+00 2.72 -4.910358695e+00 2.74 -4.928988455e+00 2.76 -4.942105229e+00 2.78 -4.949849344e+00 2.80 -4.952370358e+00 2.82 -4.949828799e+00 2.84 -4.942392035e+00 2.86 -4.930226699e+00 2.88 -4.913490290e+00 2.90 -4.892323962e+00 2.92 -4.866848298e+00 2.94 -4.837164375e+00 2.96 -4.803361849e+00 2.98 -4.765535111e+00 3.00 -4.723803653e+00 3.02 -4.678337637e+00 3.04 -4.629358889e+00 3.06 -4.577134297e+00 3.08 -4.521951313e+00 3.10 -4.464087399e+00 3.12 -4.403813726e+00 3.14 -4.341424929e+00 3.16 -4.277284739e+00 3.18 -4.211852853e+00 3.20 -4.145665531e+00 3.22 -4.079268118e+00 3.24 -4.013127050e+00 3.26 -3.947561158e+00 3.28 -3.882717289e+00 3.30 -3.818590663e+00 3.32 -3.755070624e+00 3.34 -3.691989646e+00 3.36 -3.629163814e+00 3.38 -3.566413876e+00 3.40 -3.503577558e+00 3.42 -3.440510482e+00 3.44 -3.377082671e+00 3.46 -3.313173298e+00 3.48 -3.248665470e+00 3.50 -3.183442097e+00 3.52 -3.117383404e+00 3.54 -3.050366483e+00 3.56 -2.982267547e+00 3.58 -2.912967549e+00 3.60 -2.842362387e+00 3.62 -2.770378337e+00 3.64 -2.696992967e+00 3.66 -2.622259512e+00 3.68 -2.546330295e+00 3.70 -2.469472236e+00 3.72 -2.392066744e+00 3.74 -2.314588619e+00 3.76 -2.237565535e+00 3.78 -2.161527205e+00 3.80 -2.086957339e+00 3.82 -2.014260262e+00 3.84 -1.943747439e+00 3.86 -1.875640764e+00 3.88 -1.810089573e+00 3.90 -1.747183117e+00 3.92 -1.686968185e+00 3.94 -1.629458502e+00 3.96 -1.574640780e+00 3.98 -1.522477847e+00 4.00 -1.472910623e+00 4.02 -1.425860294e+00 4.04 -1.381228812e+00 4.06 -1.338907973e+00 4.08 -1.298773958e+00 4.10 -1.260697178e+00 4.12 -1.224544256e+00 4.14 -1.190181341e+00 4.16 -1.157476962e+00 4.18 -1.126304317e+00 4.20 -1.096542980e+00 4.22 -1.068080064e+00 4.24 -1.040810939e+00 4.26 -1.014639570e+00 4.28 -9.894784782e-01 4.30 -9.652484952e-01 4.32 -9.418783890e-01 4.34 -9.193043230e-01 4.36 -8.974692490e-01 4.38 -8.763223128e-01 4.40 -8.558182484e-01 4.42 -8.359167535e-01 4.44 -8.165819319e-01 4.46 -7.977817857e-01 4.48 -7.794877154e-01 4.50 -7.616740800e-01 4.52 -7.443178161e-01 4.54 -7.273980801e-01 4.56 -7.108959259e-01 4.58 -6.947940295e-01 4.60 -6.790764396e-01 4.62 -6.637283445e-01 4.64 -6.487358672e-01 4.66 -6.340858830e-01 4.68 -6.197658380e-01 4.70 -6.057635862e-01 4.72 -5.920660146e-01 4.74 -5.786639699e-01 4.76 -5.655440988e-01 4.78 -5.526943169e-01 4.80 -5.401021511e-01 4.82 -5.277545775e-01 4.84 -5.156378419e-01 4.86 -5.037372944e-01 4.88 -4.920372040e-01 4.90 -4.805206011e-01 4.92 -4.691691186e-01 4.94 -4.579628895e-01 4.96 -4.468804814e-01 4.98 -4.358989391e-01 5.00 -4.249939336e-01 5.02 -4.141401139e-01 5.04 -4.033116814e-01 5.06 -3.924832536e-01 5.08 -3.816310896e-01 5.10 -3.707346420e-01 5.12 -3.597785336e-01 5.14 -3.487546978e-01 5.16 -3.376647465e-01 5.18 -3.265219874e-01 5.20 -3.153530719e-01 5.22 -3.041984855e-01 5.24 -2.931098412e-01 5.26 -2.821498732e-01 5.28 -2.713915227e-01 5.30 -2.609098347e-01 5.32 -2.507762761e-01 5.34 -2.410534825e-01 5.36 -2.317908722e-01 5.38 -2.230220839e-01 5.40 -2.147639897e-01 5.42 -2.070175857e-01 5.44 -1.997699737e-01 5.46 -1.929972320e-01 5.48 -1.866674555e-01 5.50 -1.807436961e-01 5.52 -1.751864809e-01 5.54 -1.699557858e-01 5.56 -1.650124834e-01 5.58 -1.603192456e-01 5.60 -1.558410672e-01 5.62 -1.515454297e-01 5.64 -1.474022726e-01 5.66 -1.433837738e-01 5.68 -1.394640857e-01 5.70 -1.356190072e-01 5.72 -1.318256826e-01 5.74 -1.280623187e-01 5.76 -1.243079873e-01 5.78 -1.205424938e-01 5.80 -1.167463630e-01 5.82 -1.129009446e-01 5.84 -1.089886690e-01 5.86 -1.049934601e-01 5.88 -1.009013081e-01 5.90 -9.670099876e-02 5.92 -9.238499416e-02 5.94 -8.795037553e-02 5.96 -8.339979021e-02 5.98 -7.874231369e-02 6.00 -7.399410083e-02