# 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 = Hf2TaTi # 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 3.110900156e+02 3.110900156e+02 1.28 2.898429578e+02 2.898429578e+02 1.30 2.701083686e+02 2.701083686e+02 1.32 2.517685677e+02 2.517685677e+02 1.34 2.347125364e+02 2.347125364e+02 1.36 2.188422867e+02 2.188422867e+02 1.38 2.040666993e+02 2.040666993e+02 1.40 1.902975563e+02 1.902975563e+02 1.42 1.774550283e+02 1.774550283e+02 1.44 1.654730827e+02 1.654730827e+02 1.46 1.542962596e+02 1.542962596e+02 1.48 1.438707977e+02 1.438707977e+02 1.50 1.341384802e+02 1.341384802e+02 1.52 1.250399711e+02 1.250399711e+02 1.54 1.165235540e+02 1.165235540e+02 1.56 1.085477017e+02 1.085477017e+02 1.58 1.010768411e+02 1.010768411e+02 1.60 9.407572610e+01 9.407572610e+01 1.62 8.751061305e+01 8.751061305e+01 1.64 8.135129135e+01 8.135129135e+01 1.66 7.557422685e+01 7.557422685e+01 1.68 7.016242012e+01 7.016242012e+01 1.70 6.509878864e+01 6.509878864e+01 1.72 6.036648161e+01 6.036648161e+01 1.74 5.594722545e+01 5.594722545e+01 1.76 5.182102749e+01 5.182102749e+01 1.78 4.796731692e+01 4.796731692e+01 1.80 4.436565692e+01 4.436565692e+01 1.82 4.099690833e+01 4.099690833e+01 1.84 3.784494293e+01 3.784494293e+01 1.86 3.489624054e+01 3.489624054e+01 1.88 3.213868678e+01 3.213868678e+01 1.90 2.956039359e+01 2.956039359e+01 1.92 2.714924536e+01 2.714924536e+01 1.94 2.489303138e+01 2.489303138e+01 1.96 2.278027163e+01 2.278027163e+01 1.98 2.080080204e+01 2.080080204e+01 2.00 1.894550516e+01 1.894550516e+01 2.02 1.720587433e+01 1.720587433e+01 2.04 1.557367427e+01 1.557367427e+01 2.06 1.404139755e+01 1.404139755e+01 2.08 1.260266332e+01 1.260266332e+01 2.10 1.125220275e+01 1.125220275e+01 2.12 9.985614145e+00 9.985614145e+00 2.14 8.798699346e+00 8.798699346e+00 2.16 7.687422474e+00 7.687422474e+00 2.18 6.647620460e+00 6.647620460e+00 2.20 5.675162382e+00 5.675162382e+00 2.22 4.766085018e+00 4.766085018e+00 2.24 3.916811885e+00 3.916811885e+00 2.26 3.124140571e+00 3.124140571e+00 2.28 2.385224994e+00 2.385224994e+00 2.30 1.697517445e+00 1.697517445e+00 2.32 1.058094565e+00 1.058094565e+00 2.34 4.636443814e-01 4.636443814e-01 2.36 -8.930407145e-02 -8.930407145e-02 2.38 -6.041664506e-01 -6.041664506e-01 2.40 -1.083906098e+00 -1.083906098e+00 2.42 -1.531097311e+00 -1.531097311e+00 2.44 -1.947911853e+00 -1.947911853e+00 2.46 -2.336172902e+00 -2.336172902e+00 2.48 -2.697438241e+00 -2.697438241e+00 2.50 -3.033132321e+00 -3.033132321e+00 2.52 -3.344704859e+00 -3.344704859e+00 2.54 -3.633750887e+00 -3.633750887e+00 2.56 -3.902035010e+00 -3.902035010e+00 2.58 -4.151361651e+00 -4.151361651e+00 2.60 -4.383653322e+00 -4.383653322e+00 2.62 -4.600417138e+00 -4.600417138e+00 2.64 -4.802851971e+00 -4.802851971e+00 2.66 -4.991692324e+00 -4.991692324e+00 2.68 -5.167265360e+00 -5.167265360e+00 2.70 -5.329688924e+00 -5.329688924e+00 2.72 -5.479112868e+00 -5.479112868e+00 2.74 -5.615816523e+00 -5.615816523e+00 2.76 -5.740424404e+00 -5.740424404e+00 2.78 -5.853246350e+00 -5.853246350e+00 2.80 -5.953170876e+00 -5.953170876e+00 2.82 -6.040105136e+00 -6.040105136e+00 2.84 -6.115146691e+00 -6.115146691e+00 2.86 -6.179428596e+00 -6.179428596e+00 2.88 -6.233972673e+00 -6.233972673e+00 2.90 -6.279608478e+00 -6.279608478e+00 2.92 -6.316898912e+00 -6.316898912e+00 2.94 -6.346294055e+00 -6.346294055e+00 2.96 -6.368181811e+00 -6.368181811e+00 2.98 -6.382909656e+00 -6.382909656e+00 3.00 -6.390791941e+00 -6.390791941e+00 3.02 -6.392776182e+00 -6.392776182e+00 3.04 -6.389204465e+00 -6.389204465e+00 3.06 -6.380032119e+00 -6.380032119e+00 3.08 -6.365410628e+00 -6.365410628e+00 3.10 -6.345253929e+00 -6.345253929e+00 3.12 -6.319581998e+00 -6.319581998e+00 3.14 -6.288442200e+00 -6.288442200e+00 3.16 -6.251930044e+00 -6.251930044e+00 3.18 -6.210203565e+00 -6.210203565e+00 3.20 -6.163481257e+00 -6.163481257e+00 3.22 -6.112022283e+00 -6.112022283e+00 3.24 -6.056098567e+00 -6.056098567e+00 3.26 -5.995972117e+00 -5.995972117e+00 3.28 -5.931886175e+00 -5.931886175e+00 3.30 -5.864070389e+00 -5.864070389e+00 3.32 -5.792756351e+00 -5.792756351e+00 3.34 -5.718178501e+00 -5.718178501e+00 3.36 -5.640689932e+00 -5.640689932e+00 3.38 -5.560644687e+00 -5.560644687e+00 3.40 -5.478513955e+00 -5.478513955e+00 3.42 -5.394852040e+00 -5.394852040e+00 3.44 -5.310262046e+00 -5.310262046e+00 3.46 -5.225338912e+00 -5.225338912e+00 3.48 -5.140603859e+00 -5.140603859e+00 3.50 -5.056450342e+00 -5.056450342e+00 3.52 -4.973115491e+00 -4.973115491e+00 3.54 -4.890681505e+00 -4.890681505e+00 3.56 -4.809100961e+00 -4.809100961e+00 3.58 -4.728234930e+00 -4.728234930e+00 3.60 -4.647893673e+00 -4.647893673e+00 3.62 -4.567872663e+00 -4.567872663e+00 3.64 -4.487980916e+00 -4.487980916e+00 3.66 -4.408060727e+00 -4.408060727e+00 3.68 -4.327998696e+00 -4.327998696e+00 3.70 -4.247728815e+00 -4.247728815e+00 3.72 -4.167227840e+00 -4.167227840e+00 3.74 -4.086505630e+00 -4.086505630e+00 3.76 -4.005593740e+00 -4.005593740e+00 3.78 -3.924537560e+00 -3.924537560e+00 3.80 -3.843394426e+00 -3.843394426e+00 3.82 -3.762236859e+00 -3.762236859e+00 3.84 -3.681158277e+00 -3.681158277e+00 3.86 -3.600233690e+00 -3.600233690e+00 3.88 -3.519698494e+00 -3.519698494e+00 3.90 -3.439664204e+00 -3.439664204e+00 3.92 -3.360315503e+00 -3.360315503e+00 3.94 -3.281856085e+00 -3.281856085e+00 3.96 -3.204508215e+00 -3.204508215e+00 3.98 -3.128510669e+00 -3.128510669e+00 4.00 -3.054112591e+00 -3.054112591e+00 4.02 -2.981574504e+00 -2.981574504e+00 4.04 -2.910967965e+00 -2.910967965e+00 4.06 -2.842791412e+00 -2.842791412e+00 4.08 -2.777022961e+00 -2.777022961e+00 4.10 -2.713741574e+00 -2.713741574e+00 4.12 -2.652960468e+00 -2.652960468e+00 4.14 -2.594632856e+00 -2.594632856e+00 4.16 -2.538663444e+00 -2.538663444e+00 4.18 -2.484922621e+00 -2.484922621e+00 4.20 -2.433260420e+00 -2.433260420e+00 4.22 -2.383518175e+00 -2.383518175e+00 4.24 -2.335536966e+00 -2.335536966e+00 4.26 -2.289162797e+00 -2.289162797e+00 4.28 -2.244249067e+00 -2.244249067e+00 4.30 -2.200657407e+00 -2.200657407e+00 4.32 -2.158257960e+00 -2.158257960e+00 4.34 -2.116930012e+00 -2.116930012e+00 4.36 -2.076563458e+00 -2.076563458e+00 4.38 -2.037061012e+00 -2.037061012e+00 4.40 -1.998340459e+00 -1.998340459e+00 4.42 -1.960336099e+00 -1.960336099e+00 4.44 -1.922998784e+00 -1.922998784e+00 4.46 -1.886294436e+00 -1.886294436e+00 4.48 -1.850201256e+00 -1.850201256e+00 4.50 -1.814706444e+00 -1.814706444e+00 4.52 -1.779803032e+00 -1.779803032e+00 4.54 -1.745487232e+00 -1.745487232e+00 4.56 -1.711756477e+00 -1.711756477e+00 4.58 -1.678608164e+00 -1.678608164e+00 4.60 -1.646038955e+00 -1.646038955e+00 4.62 -1.614044463e+00 -1.614044463e+00 4.64 -1.582619187e+00 -1.582619187e+00 4.66 -1.551756575e+00 -1.551756575e+00 4.68 -1.521449149e+00 -1.521449149e+00 4.70 -1.491688681e+00 -1.491688681e+00 4.72 -1.462378196e+00 -1.462378196e+00 4.74 -1.433699665e+00 -1.433699665e+00 4.76 -1.405536711e+00 -1.405536711e+00 4.78 -1.377879313e+00 -1.377879313e+00 4.80 -1.350716852e+00 -1.350716852e+00 4.82 -1.324038110e+00 -1.324038110e+00 4.84 -1.297831238e+00 -1.297831238e+00 4.86 -1.272083707e+00 -1.272083707e+00 4.88 -1.246782240e+00 -1.246782240e+00 4.90 -1.221912746e+00 -1.221912746e+00 4.92 -1.197460237e+00 -1.197460237e+00 4.94 -1.173408768e+00 -1.173408768e+00 4.96 -1.149741390e+00 -1.149741390e+00 4.98 -1.126440145e+00 -1.126440145e+00 5.00 -1.103486120e+00 -1.103486120e+00 5.02 -1.080859587e+00 -1.080859587e+00 5.04 -1.058540259e+00 -1.058540259e+00 5.06 -1.036507691e+00 -1.036507691e+00 5.08 -1.014741864e+00 -1.014741864e+00 5.10 -9.932239395e-01 -9.932239395e-01 5.12 -9.719372377e-01 -9.719372377e-01 5.14 -9.508683050e-01 -9.508683050e-01 5.16 -9.300081063e-01 -9.300081063e-01 5.18 -9.093530539e-01 -9.093530539e-01 5.20 -8.889058474e-01 -8.889058474e-01 5.22 -8.686757346e-01 -8.686757346e-01 5.24 -8.486781691e-01 -8.486781691e-01 5.26 -8.289336034e-01 -8.289336034e-01 5.28 -8.094655314e-01 -8.094655314e-01 5.30 -7.902979325e-01 -7.902979325e-01 5.32 -7.714524032e-01 -7.714524032e-01 5.34 -7.529455223e-01 -7.529455223e-01 5.36 -7.347866714e-01 -7.347866714e-01 5.38 -7.169768524e-01 -7.169768524e-01 5.40 -6.995084009e-01 -6.995084009e-01 5.42 -6.823657914e-01 -6.823657914e-01 5.44 -6.655271801e-01 -6.655271801e-01 5.46 -6.489665600e-01 -6.489665600e-01 5.48 -6.326562167e-01 -6.326562167e-01 5.50 -6.165692227e-01 -6.165692227e-01 5.52 -6.006818637e-01 -6.006818637e-01 5.54 -5.849756938e-01 -5.849756938e-01 5.56 -5.694392829e-01 -5.694392829e-01 5.58 -5.540693112e-01 -5.540693112e-01 5.60 -5.388711556e-01 -5.388711556e-01 5.62 -5.238586498e-01 -5.238586498e-01 5.64 -5.090532025e-01 -5.090532025e-01 5.66 -4.944821239e-01 -4.944821239e-01 5.68 -4.801764077e-01 -4.801764077e-01 5.70 -4.661681087e-01 -4.661681087e-01 5.72 -4.524875589e-01 -4.524875589e-01 5.74 -4.391608155e-01 -4.391608155e-01 5.76 -4.262074516e-01 -4.262074516e-01 5.78 -4.136390792e-01 -4.136390792e-01 5.80 -4.014585538e-01 -4.014585538e-01 5.82 -3.896600543e-01 -3.896600543e-01 5.84 -3.782297594e-01 -3.782297594e-01 5.86 -3.671471722e-01 -3.671471722e-01 5.88 -3.563867677e-01 -3.563867677e-01 5.90 -3.459199044e-01 -3.459199044e-01 5.92 -3.357167802e-01 -3.357167802e-01 5.94 -3.257483168e-01 -3.257483168e-01 5.96 -3.159877024e-01 -3.159877024e-01 5.98 -3.064100814e-01 -3.064100814e-01 6.00 -2.969974499e-01 -2.969974499e-01