# 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 = NbTaTi2 # 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 2.822547084e+02 2.822547084e+02 1.28 2.625936780e+02 2.625936780e+02 1.30 2.443294001e+02 2.443294001e+02 1.32 2.273372518e+02 2.273372518e+02 1.34 2.115119962e+02 2.115119962e+02 1.36 1.967666692e+02 1.967666692e+02 1.38 1.830282185e+02 1.830282185e+02 1.40 1.702307473e+02 1.702307473e+02 1.42 1.583082207e+02 1.583082207e+02 1.44 1.471940108e+02 1.471940108e+02 1.46 1.368265219e+02 1.368265219e+02 1.48 1.271515228e+02 1.271515228e+02 1.50 1.181204097e+02 1.181204097e+02 1.52 1.096879934e+02 1.096879934e+02 1.54 1.018108816e+02 1.018108816e+02 1.56 9.444758477e+01 9.444758477e+01 1.58 8.755963529e+01 8.755963529e+01 1.60 8.111217946e+01 8.111217946e+01 1.62 7.507444250e+01 7.507444250e+01 1.64 6.941997830e+01 6.941997830e+01 1.66 6.412942383e+01 6.412942383e+01 1.68 5.919004957e+01 5.919004957e+01 1.70 5.458034191e+01 5.458034191e+01 1.72 5.027950011e+01 5.027950011e+01 1.74 4.626793514e+01 4.626793514e+01 1.76 4.252683154e+01 4.252683154e+01 1.78 3.903780343e+01 3.903780343e+01 1.80 3.578362474e+01 3.578362474e+01 1.82 3.274899467e+01 3.274899467e+01 1.84 2.992030401e+01 2.992030401e+01 1.86 2.728492762e+01 2.728492762e+01 1.88 2.483084370e+01 2.483084370e+01 1.90 2.254672979e+01 2.254672979e+01 1.92 2.042215515e+01 2.042215515e+01 1.94 1.844747416e+01 1.844747416e+01 1.96 1.661343444e+01 1.661343444e+01 1.98 1.491080598e+01 1.491080598e+01 2.00 1.333022562e+01 1.333022562e+01 2.02 1.186226938e+01 1.186226938e+01 2.04 1.049769167e+01 1.049769167e+01 2.06 9.227776810e+00 9.227776810e+00 2.08 8.044685153e+00 8.044685153e+00 2.10 6.941623503e+00 6.941623503e+00 2.12 5.912720165e+00 5.912720165e+00 2.14 4.952697322e+00 4.952697322e+00 2.16 4.056619715e+00 4.056619715e+00 2.18 3.219929281e+00 3.219929281e+00 2.20 2.438710320e+00 2.438710320e+00 2.22 1.709874401e+00 1.709874401e+00 2.24 1.031065912e+00 1.031065912e+00 2.26 4.003639494e-01 4.003639494e-01 2.28 -1.840275158e-01 -1.840275158e-01 2.30 -7.240222560e-01 -7.240222560e-01 2.32 -1.221830790e+00 -1.221830790e+00 2.34 -1.680078715e+00 -1.680078715e+00 2.36 -2.101818984e+00 -2.101818984e+00 2.38 -2.490385380e+00 -2.490385380e+00 2.40 -2.849113607e+00 -2.849113607e+00 2.42 -3.181068489e+00 -3.181068489e+00 2.44 -3.488876632e+00 -3.488876632e+00 2.46 -3.774666871e+00 -3.774666871e+00 2.48 -4.040076672e+00 -4.040076672e+00 2.50 -4.286316333e+00 -4.286316333e+00 2.52 -4.514286024e+00 -4.514286024e+00 2.54 -4.724712823e+00 -4.724712823e+00 2.56 -4.918265932e+00 -4.918265932e+00 2.58 -5.095631787e+00 -5.095631787e+00 2.60 -5.257555272e+00 -5.257555272e+00 2.62 -5.404846238e+00 -5.404846238e+00 2.64 -5.538366718e+00 -5.538366718e+00 2.66 -5.658991469e+00 -5.658991469e+00 2.68 -5.767244308e+00 -5.767244308e+00 2.70 -5.863362415e+00 -5.863362415e+00 2.72 -5.948230161e+00 -5.948230161e+00 2.74 -6.022627726e+00 -6.022627726e+00 2.76 -6.087230978e+00 -6.087230978e+00 2.78 -6.141794330e+00 -6.141794330e+00 2.80 -6.186402421e+00 -6.186402421e+00 2.82 -6.221678907e+00 -6.221678907e+00 2.84 -6.248213902e+00 -6.248213902e+00 2.86 -6.266561514e+00 -6.266561514e+00 2.88 -6.277215346e+00 -6.277215346e+00 2.90 -6.280617740e+00 -6.280617740e+00 2.92 -6.276975085e+00 -6.276975085e+00 2.94 -6.266452103e+00 -6.266452103e+00 2.96 -6.249212071e+00 -6.249212071e+00 2.98 -6.225678436e+00 -6.225678436e+00 3.00 -6.195966547e+00 -6.195966547e+00 3.02 -6.160040217e+00 -6.160040217e+00 3.04 -6.117876941e+00 -6.117876941e+00 3.06 -6.069462783e+00 -6.069462783e+00 3.08 -6.014788932e+00 -6.014788932e+00 3.10 -5.953851118e+00 -5.953851118e+00 3.12 -5.886687351e+00 -5.886687351e+00 3.14 -5.813436457e+00 -5.813436457e+00 3.16 -5.734406038e+00 -5.734406038e+00 3.18 -5.650113067e+00 -5.650113067e+00 3.20 -5.561268381e+00 -5.561268381e+00 3.22 -5.468699804e+00 -5.468699804e+00 3.24 -5.373244501e+00 -5.373244501e+00 3.26 -5.275655483e+00 -5.275655483e+00 3.28 -5.176556183e+00 -5.176556183e+00 3.30 -5.076445618e+00 -5.076445618e+00 3.32 -4.975733862e+00 -4.975733862e+00 3.34 -4.874780705e+00 -4.874780705e+00 3.36 -4.773921236e+00 -4.773921236e+00 3.38 -4.673470070e+00 -4.673470070e+00 3.40 -4.573712150e+00 -4.573712150e+00 3.42 -4.474885635e+00 -4.474885635e+00 3.44 -4.377163532e+00 -4.377163532e+00 3.46 -4.280641663e+00 -4.280641663e+00 3.48 -4.185332702e+00 -4.185332702e+00 3.50 -4.091168822e+00 -4.091168822e+00 3.52 -3.998009811e+00 -3.998009811e+00 3.54 -3.905656352e+00 -3.905656352e+00 3.56 -3.813866042e+00 -3.813866042e+00 3.58 -3.722371593e+00 -3.722371593e+00 3.60 -3.630901010e+00 -3.630901010e+00 3.62 -3.539199632e+00 -3.539199632e+00 3.64 -3.447054720e+00 -3.447054720e+00 3.66 -3.354320967e+00 -3.354320967e+00 3.68 -3.260944901e+00 -3.260944901e+00 3.70 -3.166983082e+00 -3.166983082e+00 3.72 -3.072609365e+00 -3.072609365e+00 3.74 -2.978106099e+00 -2.978106099e+00 3.76 -2.883840164e+00 -2.883840164e+00 3.78 -2.790228691e+00 -2.790228691e+00 3.80 -2.697703264e+00 -2.697703264e+00 3.82 -2.606680438e+00 -2.606680438e+00 3.84 -2.517543345e+00 -2.517543345e+00 3.86 -2.430632873e+00 -2.430632873e+00 3.88 -2.346247687e+00 -2.346247687e+00 3.90 -2.264641125e+00 -2.264641125e+00 3.92 -2.186022830e+00 -2.186022830e+00 3.94 -2.110556571e+00 -2.110556571e+00 3.96 -2.038358097e+00 -2.038358097e+00 3.98 -1.969493362e+00 -1.969493362e+00 4.00 -1.903978667e+00 -1.903978667e+00 4.02 -1.841783480e+00 -1.841783480e+00 4.04 -1.782832123e+00 -1.782832123e+00 4.06 -1.727019600e+00 -1.727019600e+00 4.08 -1.674204944e+00 -1.674204944e+00 4.10 -1.624228547e+00 -1.624228547e+00 4.12 -1.576917024e+00 -1.576917024e+00 4.14 -1.532089932e+00 -1.532089932e+00 4.16 -1.489565531e+00 -1.489565531e+00 4.18 -1.449165425e+00 -1.449165425e+00 4.20 -1.410718080e+00 -1.410718080e+00 4.22 -1.374061309e+00 -1.374061309e+00 4.24 -1.339043906e+00 -1.339043906e+00 4.26 -1.305526579e+00 -1.305526579e+00 4.28 -1.273382193e+00 -1.273382193e+00 4.30 -1.242495615e+00 -1.242495615e+00 4.32 -1.212763312e+00 -1.212763312e+00 4.34 -1.184092645e+00 -1.184092645e+00 4.36 -1.156401029e+00 -1.156401029e+00 4.38 -1.129615088e+00 -1.129615088e+00 4.40 -1.103669780e+00 -1.103669780e+00 4.42 -1.078507480e+00 -1.078507480e+00 4.44 -1.054077157e+00 -1.054077157e+00 4.46 -1.030333622e+00 -1.030333622e+00 4.48 -1.007236781e+00 -1.007236781e+00 4.50 -9.847509898e-01 -9.847509898e-01 4.52 -9.628444810e-01 -9.628444810e-01 4.54 -9.414888424e-01 -9.414888424e-01 4.56 -9.206585406e-01 -9.206585406e-01 4.58 -9.003305213e-01 -9.003305213e-01 4.60 -8.804838531e-01 -8.804838531e-01 4.62 -8.610993965e-01 -8.610993965e-01 4.64 -8.421595216e-01 -8.421595216e-01 4.66 -8.236478634e-01 -8.236478634e-01 4.68 -8.055490861e-01 -8.055490861e-01 4.70 -7.878486774e-01 -7.878486774e-01 4.72 -7.705318489e-01 -7.705318489e-01 4.74 -7.535871697e-01 -7.535871697e-01 4.76 -7.370003933e-01 -7.370003933e-01 4.78 -7.207585157e-01 -7.207585157e-01 4.80 -7.048484952e-01 -7.048484952e-01 4.82 -6.892570964e-01 -6.892570964e-01 4.84 -6.739707285e-01 -6.739707285e-01 4.86 -6.589752984e-01 -6.589752984e-01 4.88 -6.442560501e-01 -6.442560501e-01 4.90 -6.297974293e-01 -6.297974293e-01 4.92 -6.155829497e-01 -6.155829497e-01 4.94 -6.015951028e-01 -6.015951028e-01 4.96 -5.878152977e-01 -5.878152977e-01 4.98 -5.742238834e-01 -5.742238834e-01 5.00 -5.608002520e-01 -5.608002520e-01 5.02 -5.475230946e-01 -5.475230946e-01 5.04 -5.343708257e-01 -5.343708257e-01 5.06 -5.213222248e-01 -5.213222248e-01 5.08 -5.083573497e-01 -5.083573497e-01 5.10 -4.954586952e-01 -4.954586952e-01 5.12 -4.826126701e-01 -4.826126701e-01 5.14 -4.698111978e-01 -4.698111978e-01 5.16 -4.570534871e-01 -4.570534871e-01 5.18 -4.443475391e-01 -4.443475391e-01 5.20 -4.317113780e-01 -4.317113780e-01 5.22 -4.191734126e-01 -4.191734126e-01 5.24 -4.067704111e-01 -4.067704111e-01 5.26 -3.945474482e-01 -3.945474482e-01 5.28 -3.825572579e-01 -3.825572579e-01 5.30 -3.708541289e-01 -3.708541289e-01 5.32 -3.594896316e-01 -3.594896316e-01 5.34 -3.485086655e-01 -3.485086655e-01 5.36 -3.379461553e-01 -3.379461553e-01 5.38 -3.278251132e-01 -3.278251132e-01 5.40 -3.181558799e-01 -3.181558799e-01 5.42 -3.089367712e-01 -3.089367712e-01 5.44 -3.001555410e-01 -3.001555410e-01 5.46 -2.917915058e-01 -2.917915058e-01 5.48 -2.838177951e-01 -2.838177951e-01 5.50 -2.762035228e-01 -2.762035228e-01 5.52 -2.689156359e-01 -2.689156359e-01 5.54 -2.619203527e-01 -2.619203527e-01 5.56 -2.551842039e-01 -2.551842039e-01 5.58 -2.486746585e-01 -2.486746585e-01 5.60 -2.423604625e-01 -2.423604625e-01 5.62 -2.362117088e-01 -2.362117088e-01 5.64 -2.301997618e-01 -2.301997618e-01 5.66 -2.242970372e-01 -2.242970372e-01 5.68 -2.184767600e-01 -2.184767600e-01 5.70 -2.127126859e-01 -2.127126859e-01 5.72 -2.069788564e-01 -2.069788564e-01 5.74 -2.012493962e-01 -2.012493962e-01 5.76 -1.954984164e-01 -1.954984164e-01 5.78 -1.897000137e-01 -1.897000137e-01 5.80 -1.838284222e-01 -1.838284222e-01 5.82 -1.778583410e-01 -1.778583410e-01 5.84 -1.717654687e-01 -1.717654687e-01 5.86 -1.655272741e-01 -1.655272741e-01 5.88 -1.591239957e-01 -1.591239957e-01 5.90 -1.525398794e-01 -1.525398794e-01 5.92 -1.457646361e-01 -1.457646361e-01 5.94 -1.387949906e-01 -1.387949906e-01 5.96 -1.316362264e-01 -1.316362264e-01 5.98 -1.243035899e-01 -1.243035899e-01 6.00 -1.168233541e-01 -1.168233541e-01