# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--meta-Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--meta-Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r Ma Ma 0.02 1.343288445e+03 0.04 1.271995184e+03 0.06 1.204464207e+03 0.08 1.140444118e+03 0.10 1.079754180e+03 0.12 1.022222513e+03 0.14 9.676863063e+02 0.16 9.159910222e+02 0.18 8.669900838e+02 0.20 8.205444935e+02 0.22 7.765223249e+02 0.24 7.347985315e+02 0.26 6.952543944e+02 0.28 6.577774023e+02 0.30 6.222607359e+02 0.32 5.886031523e+02 0.34 5.567085484e+02 0.36 5.264858166e+02 0.38 4.978484991e+02 0.40 4.707146088e+02 0.42 4.450063657e+02 0.44 4.206499927e+02 0.46 3.975755157e+02 0.48 3.757165487e+02 0.50 3.550101388e+02 0.52 3.353965545e+02 0.54 3.168191579e+02 0.56 2.992242084e+02 0.58 2.825607487e+02 0.60 2.667804313e+02 0.62 2.518374095e+02 0.64 2.376881896e+02 0.66 2.242915234e+02 0.68 2.116082852e+02 0.70 1.996013656e+02 0.72 1.882355687e+02 0.74 1.774775100e+02 0.76 1.672955297e+02 0.78 1.576595959e+02 0.80 1.485412299e+02 0.82 1.399134176e+02 0.84 1.317505423e+02 0.86 1.240283059e+02 0.88 1.167236679e+02 0.90 1.098151582e+02 0.92 1.032834234e+02 0.94 9.710871141e+01 0.96 9.127214819e+01 0.98 8.575583639e+01 1.00 8.054278259e+01 1.02 7.561660658e+01 1.04 7.096163156e+01 1.06 6.656304219e+01 1.08 6.240683761e+01 1.10 5.847979404e+01 1.12 5.476778596e+01 1.14 5.125714701e+01 1.16 4.793798210e+01 1.18 4.480087194e+01 1.20 4.183680809e+01 1.22 3.903717849e+01 1.24 3.639375367e+01 1.26 3.389867301e+01 1.28 3.154443153e+01 1.30 2.932386634e+01 1.32 2.723014404e+01 1.34 2.525674752e+01 1.36 2.339746393e+01 1.38 2.164637218e+01 1.40 1.999783132e+01 1.42 1.844646884e+01 1.44 1.698716963e+01 1.46 1.561506499e+01 1.48 1.432552216e+01 1.50 1.311413413e+01 1.52 1.197670981e+01 1.54 1.090926451e+01 1.56 9.908010753e+00 1.58 8.969349470e+00 1.60 8.089861481e+00 1.62 7.266299273e+00 1.64 6.495579171e+00 1.66 5.774773725e+00 1.68 5.101104476e+00 1.70 4.471934960e+00 1.72 3.884764022e+00 1.74 3.337219416e+00 1.76 2.827051629e+00 1.78 2.352128048e+00 1.80 1.910427256e+00 1.82 1.500033732e+00 1.84 1.119132598e+00 1.86 7.660047981e-01 1.88 4.390222885e-01 1.90 1.366436343e-01 1.92 -1.425903626e-01 1.94 -4.000606998e-01 1.96 -6.370741274e-01 1.98 -8.548668561e-01 2.00 -1.054608116e+00 2.02 -1.237403566e+00 2.04 -1.404298490e+00 2.06 -1.556280929e+00 2.08 -1.694284546e+00 2.10 -1.819191501e+00 2.12 -1.931835027e+00 2.14 -2.033002040e+00 2.16 -2.123435478e+00 2.18 -2.203836657e+00 2.20 -2.274867399e+00 2.22 -2.337152145e+00 2.24 -2.391279902e+00 2.26 -2.437806128e+00 2.28 -2.477254521e+00 2.30 -2.510118688e+00 2.32 -2.536863790e+00 2.34 -2.557928028e+00 2.36 -2.573724136e+00 2.38 -2.584640720e+00 2.40 -2.591043602e+00 2.42 -2.593277027e+00 2.44 -2.591664873e+00 2.46 -2.586511740e+00 2.48 -2.578104031e+00 2.50 -2.566710941e+00 2.52 -2.552585418e+00 2.54 -2.535965063e+00 2.56 -2.517072978e+00 2.58 -2.496118584e+00 2.60 -2.473298371e+00 2.62 -2.448796640e+00 2.64 -2.422786159e+00 2.66 -2.395428833e+00 2.68 -2.366876289e+00 2.70 -2.337270461e+00 2.72 -2.306744112e+00 2.74 -2.275421350e+00 2.76 -2.243418085e+00 2.78 -2.210842473e+00 2.80 -2.177795324e+00 2.82 -2.144370470e+00 2.84 -2.110655121e+00 2.86 -2.076730172e+00 2.88 -2.042670502e+00 2.90 -2.008545221e+00 2.92 -1.974417921e+00 2.94 -1.940346863e+00 2.96 -1.906385174e+00 2.98 -1.872580999e+00 3.00 -1.838977641e+00 3.02 -1.805613680e+00 3.04 -1.772523079e+00 3.06 -1.739735283e+00 3.08 -1.707275302e+00 3.10 -1.675163820e+00 3.12 -1.643417281e+00 3.14 -1.612048030e+00 3.16 -1.581064441e+00 3.18 -1.550471123e+00 3.20 -1.520269129e+00 3.22 -1.490456249e+00 3.24 -1.461027333e+00 3.26 -1.431974698e+00 3.28 -1.403288564e+00 3.30 -1.374957568e+00 3.32 -1.346969297e+00 3.34 -1.319310867e+00 3.36 -1.291969494e+00 3.38 -1.264933062e+00 3.40 -1.238190638e+00 3.42 -1.211732956e+00 3.44 -1.185552775e+00 3.46 -1.159645185e+00 3.48 -1.134007759e+00 3.50 -1.108640628e+00 3.52 -1.083546409e+00 3.54 -1.058730059e+00 3.56 -1.034198617e+00 3.58 -1.009960886e+00 3.60 -9.860270724e-01 3.62 -9.624083820e-01 3.64 -9.391166311e-01 3.66 -9.161638539e-01 3.68 -8.935619514e-01 3.70 -8.713223722e-01 3.72 -8.494558462e-01 3.74 -8.279721674e-01 3.76 -8.068800295e-01 3.78 -7.861869113e-01 3.80 -7.658990280e-01 3.82 -7.460212980e-01 3.84 -7.265572844e-01 3.86 -7.075092762e-01 3.88 -6.888783489e-01 3.90 -6.706644320e-01 3.92 -6.528663974e-01 3.94 -6.354821434e-01 3.96 -6.185086939e-01 3.98 -6.019422872e-01 4.00 -5.857784714e-01 4.02 -5.700121903e-01 4.04 -5.546378683e-01 4.06 -5.396494876e-01 4.08 -5.250406607e-01 4.10 -5.108046954e-01 4.12 -4.969346549e-01 4.14 -4.834234111e-01 4.16 -4.702636924e-01 4.18 -4.574481257e-01 4.20 -4.449692742e-01 4.22 -4.328196695e-01 4.24 -4.209918405e-01 4.26 -4.094783375e-01 4.28 -3.982717308e-01 4.30 -3.873620063e-01 4.32 -3.767405885e-01 4.34 -3.664009763e-01 4.36 -3.563366906e-01 4.38 -3.465412908e-01 4.40 -3.370083888e-01 4.42 -3.277316615e-01 4.44 -3.187048606e-01 4.46 -3.099218219e-01 4.48 -3.013764715e-01 4.50 -2.930628332e-01 4.52 -2.849750320e-01 4.54 -2.771072993e-01 4.56 -2.694539747e-01 4.58 -2.620095096e-01 4.60 -2.547684679e-01 4.62 -2.477255277e-01 4.64 -2.408754818e-01 4.66 -2.342132378e-01 4.68 -2.277338183e-01 4.70 -2.214323598e-01 4.72 -2.153041128e-01 4.74 -2.093444401e-01 4.76 -2.035488161e-01 4.78 -1.979128251e-01 4.80 -1.924321602e-01 4.82 -1.871026211e-01 4.84 -1.819201132e-01 4.86 -1.768806452e-01 4.88 -1.719803271e-01 4.90 -1.672153691e-01 4.92 -1.625820786e-01 4.94 -1.580768590e-01 4.96 -1.536962072e-01 4.98 -1.494367118e-01 5.00 -1.452950507e-01 5.02 -1.412679891e-01 5.04 -1.373523777e-01 5.06 -1.335451498e-01 5.08 -1.298433196e-01 5.10 -1.262439797e-01 5.12 -1.227442986e-01 5.14 -1.193415182e-01 5.16 -1.160329511e-01 5.18 -1.128159777e-01 5.20 -1.096880428e-01 5.22 -1.066466523e-01 5.24 -1.036893687e-01 5.26 -1.008138068e-01 5.28 -9.801762792e-02 5.30 -9.529853330e-02 5.32 -9.265425663e-02 5.34 -9.008255430e-02 5.36 -8.758119425e-02 5.38 -8.514794177e-02 5.40 -8.278054277e-02 5.42 -8.047670254e-02 5.44 -7.823406063e-02 5.46 -7.605015881e-02 5.48 -7.392240364e-02 5.50 -7.184801853e-02 5.52 -6.982398829e-02 5.54 -6.784698912e-02 5.56 -6.591330767e-02 5.58 -6.401874255e-02 5.60 -6.215849020e-02 5.62 -6.032701405e-02 5.64 -5.851789438e-02 5.66 -5.672367184e-02 5.68 -5.493567670e-02 5.70 -5.314388234e-02 5.72 -5.133677601e-02 5.74 -4.950132317e-02 5.76 -4.762303660e-02 5.78 -4.568627077e-02 5.80 -4.367478620e-02 5.82 -4.157273068e-02 5.84 -3.936607437e-02 5.86 -3.704458573e-02 5.88 -3.460419317e-02 5.90 -3.204957816e-02 5.92 -2.939638757e-02 5.94 -2.667260236e-02 5.96 -2.391816504e-02 5.98 -2.118263963e-02 6.00 -1.852074886e-02 6.02 -1.598661103e-02 6.04 -1.362782416e-02 6.06 -1.148063847e-02 6.08 -9.567321884e-03 6.10 -7.895773731e-03 6.12 -6.461280500e-03 6.14 -5.249391668e-03 6.16 -4.239309068e-03 6.18 -3.406957621e-03 6.20 -2.727503384e-03 6.22 -2.177088931e-03 6.24 -1.733930815e-03 6.26 -1.378829958e-03 6.28 -1.095336454e-03 6.30 -8.696262679e-04 6.32 -6.902786920e-04 6.34 -5.479592491e-04 6.36 -4.351185215e-04 6.38 -3.456867709e-04 6.40 -2.748142987e-04 6.42 -2.186391809e-04 6.44 -1.740958675e-04 6.46 -1.387562020e-04 6.48 -1.108238869e-04 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00