# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ta3Zr # 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 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.721705069e+02 nan nan 1.16 4.359897541e+02 nan nan 1.18 4.026842304e+02 nan nan 1.20 3.720082097e+02 nan nan 1.22 3.437415775e+02 nan nan 1.24 3.176833866e+02 nan nan 1.26 2.936471283e+02 nan nan 1.28 2.714591692e+02 4.118960103e+02 4.694827015e+02 1.30 2.509594644e+02 3.828951880e+02 4.372071278e+02 1.32 2.320027724e+02 3.560059453e+02 4.072480084e+02 1.34 2.144589117e+02 3.310655589e+02 3.794195340e+02 1.36 1.982116896e+02 3.079226596e+02 3.535519513e+02 1.38 1.831570625e+02 2.864362488e+02 3.294912091e+02 1.40 1.692012692e+02 2.664758086e+02 3.070974437e+02 1.42 1.562593142e+02 2.479214941e+02 2.862430263e+02 1.44 1.442538613e+02 2.306635500e+02 2.668109626e+02 1.46 1.331143944e+02 2.146010083e+02 2.486940481e+02 1.48 1.227764824e+02 1.996403566e+02 2.317945318e+02 1.50 1.131809743e+02 1.856947944e+02 2.160236954e+02 1.52 1.042731371e+02 1.726841959e+02 2.013009636e+02 1.54 9.600197005e+01 1.605354410e+02 1.875526164e+02 1.56 8.831987098e+01 1.491827109e+02 1.747106220e+02 1.58 8.118254942e+01 1.385674428e+02 1.627119072e+02 1.60 7.454900583e+01 1.286378398e+02 1.514980395e+02 1.62 6.838141236e+01 1.193480108e+02 1.410150563e+02 1.64 6.264495019e+01 1.106569938e+02 1.312131519e+02 1.66 5.730762392e+01 1.025278242e+02 1.220461486e+02 1.68 5.234012142e+01 9.492675164e+01 1.134708764e+02 1.70 4.771571332e+01 8.782258563e+01 1.054466399e+02 1.72 4.341017307e+01 8.118610251e+01 9.793496065e+01 1.74 3.940166858e+01 7.498951612e+01 9.089961664e+01 1.76 3.567055822e+01 6.920605190e+01 8.430691305e+01 1.78 3.219906190e+01 6.380969468e+01 7.812597280e+01 1.80 2.897084785e+01 5.877511811e+01 7.232890127e+01 1.82 2.597058548e+01 5.407777699e+01 6.689071352e+01 1.84 2.318360514e+01 4.969408314e+01 6.178908642e+01 1.86 2.059568527e+01 4.560164688e+01 5.700399197e+01 1.88 1.819664541e+01 4.177946511e+01 5.251728878e+01 1.90 1.598467133e+01 3.820803788e+01 4.831230700e+01 1.92 1.394703731e+01 3.486938067e+01 4.437342637e+01 1.94 1.207082359e+01 3.174696141e+01 4.068572412e+01 1.96 1.034395828e+01 2.882559714e+01 3.723471613e+01 1.98 8.755220915e+00 2.609135240e+01 3.400622503e+01 2.00 7.294165118e+00 2.353145165e+01 3.098637639e+01 2.02 5.950991710e+00 2.113419350e+01 2.816168573e+01 2.04 4.716430608e+00 1.889010334e+01 2.551920073e+01 2.06 3.581685515e+00 1.679977972e+01 2.304663294e+01 2.08 2.538442958e+00 1.485556274e+01 2.073244075e+01 2.10 1.578942059e+00 1.304777134e+01 1.856674556e+01 2.12 6.960627625e-01 1.136744843e+01 1.654897561e+01 2.14 -1.166077259e-01 9.806307145e+00 1.467180530e+01 2.16 -8.647567054e-01 8.356681001e+00 1.292574565e+01 2.18 -1.553387924e+00 7.011467522e+00 1.130179571e+01 2.20 -2.186892635e+00 5.764074156e+00 9.791378388e+00 2.22 -2.769153429e+00 4.608346403e+00 8.386342829e+00 2.24 -3.303641221e+00 3.538500186e+00 7.079005844e+00 2.26 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-7.590372866e+00 -6.399476391e+00 -5.644000535e+00 2.64 -7.624905890e+00 -6.594494899e+00 -5.895992458e+00 2.66 -7.647711520e+00 -6.770108226e+00 -6.122350032e+00 2.68 -7.659501663e+00 -6.927458575e+00 -6.324946842e+00 2.70 -7.660893119e+00 -7.067616114e+00 -6.505608565e+00 2.72 -7.652476017e+00 -7.191581387e+00 -6.666102554e+00 2.74 -7.634830329e+00 -7.300285837e+00 -6.808122268e+00 2.76 -7.608534306e+00 -7.394591699e+00 -6.933269684e+00 2.78 -7.574134052e+00 -7.475291359e+00 -7.043039070e+00 2.80 -7.531740044e+00 -7.543114879e+00 -7.138806797e+00 2.82 -7.481142016e+00 -7.598726981e+00 -7.221823526e+00 2.84 -7.422082345e+00 -7.642679659e+00 -7.293214809e+00 2.86 -7.354353154e+00 -7.675357833e+00 -7.353983576e+00 2.88 -7.277802571e+00 -7.697460099e+00 -7.405015880e+00 2.90 -7.192320811e+00 -7.709709215e+00 -7.447086775e+00 2.92 -7.097833609e+00 -7.712797389e+00 -7.480673250e+00 2.94 -6.994321428e+00 -7.707306259e+00 -7.506404036e+00 2.96 -6.881811931e+00 -7.693803161e+00 -7.524999072e+00 2.98 -6.760415256e+00 -7.672843249e+00 -7.537143923e+00 3.00 -6.630344003e+00 -7.644965652e+00 -7.543389159e+00 3.02 -6.491938409e+00 -7.610679166e+00 -7.544189786e+00 3.04 -6.345688757e+00 -7.570195816e+00 -7.539958294e+00 3.06 -6.192250572e+00 -7.523440710e+00 -7.531068352e+00 3.08 -6.032448151e+00 -7.470293102e+00 -7.517856373e+00 3.10 -5.867262792e+00 -7.410574997e+00 -7.500581549e+00 3.12 -5.697803850e+00 -7.344149244e+00 -7.479169180e+00 3.14 -5.525263441e+00 -7.270933361e+00 -7.453432075e+00 3.16 -5.350858644e+00 -7.190885535e+00 -7.423195209e+00 3.18 -5.175767913e+00 -7.104018737e+00 -7.388223164e+00 3.20 -5.001070093e+00 -7.010406081e+00 -7.348295695e+00 3.22 -4.827694558e+00 -6.910191239e+00 -7.303222983e+00 3.24 -4.656389168e+00 -6.803599486e+00 -7.252833961e+00 3.26 -4.487709600e+00 -6.690946888e+00 -7.196974874e+00 3.28 -4.322029777e+00 -6.572644595e+00 -7.135507525e+00 3.30 -4.159569765e+00 -6.449195159e+00 -7.068310832e+00 3.32 -4.000435214e+00 -6.321178859e+00 -6.995283890e+00 3.34 -3.844661513e+00 -6.189229927e+00 -6.916349325e+00 3.36 -3.692256186e+00 -6.054005011e+00 -6.831455884e+00 3.38 -3.543234255e+00 -5.916148148e+00 -6.740579450e+00 3.40 -3.397643007e+00 -5.776256546e+00 -6.643722109e+00 3.42 -3.255569461e+00 -5.634856099e+00 -6.540909291e+00 3.44 -3.117161872e+00 -5.492377736e+00 -6.432185409e+00 3.46 -2.982585974e+00 -5.349151638e+00 -6.317608736e+00 3.48 -2.852031217e+00 -5.205406091e+00 -6.197246461e+00 3.50 -2.725682649e+00 -5.061274664e+00 -6.071167394e+00 3.52 -2.603699007e+00 -4.916808907e+00 -5.939455383e+00 3.54 -2.486194022e+00 -4.771994813e+00 -5.802187042e+00 3.56 -2.373223642e+00 -4.626771555e+00 -5.659453388e+00 3.58 -2.264780703e+00 -4.481051424e+00 -5.511363743e+00 3.60 -2.160797258e+00 -4.334740181e+00 -5.358057230e+00 3.62 -2.061153396e+00 -4.187757260e+00 -5.199716542e+00 3.64 -1.965690486e+00 -4.040055343e+00 -5.036582816e+00 3.66 -1.874226341e+00 -3.891638806e+00 -4.868970355e+00 3.68 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-1.454713862e-02 -6.989895133e-02 -1.017185555e-01 5.82 -1.291268308e-02 -6.754848968e-02 -9.861962864e-02 5.84 -1.142164536e-02 -6.527280196e-02 -9.557744231e-02 5.86 -1.006995221e-02 -6.306467937e-02 -9.258755882e-02 5.88 -8.851776054e-03 -6.091722580e-02 -8.964549905e-02 5.90 -7.759917845e-03 -5.882388403e-02 -8.674676069e-02 5.92 -6.786194225e-03 -5.677845236e-02 -8.388684415e-02 5.94 -5.921803418e-03 -5.477509644e-02 -8.106128733e-02 5.96 -5.157651792e-03 -5.280836086e-02 -7.826571095e-02 5.98 -4.484630401e-03 -5.087318385e-02 -7.549587533e-02 6.00 -3.893837249e-03 -4.896491661e-02 -7.274774791e-02