# 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 = AlFe3 # 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 1.854212055e+02 nan nan 1.16 1.680254575e+02 nan nan 1.18 1.522304573e+02 nan nan 1.20 1.378771061e+02 nan nan 1.22 1.248253179e+02 nan nan 1.24 1.129527212e+02 nan nan 1.26 1.021527910e+02 nan nan 1.28 9.233105612e+01 1.556319052e+02 1.830039951e+02 1.30 8.340136991e+01 1.420738719e+02 1.674543883e+02 1.32 7.528425886e+01 1.296545092e+02 1.532017000e+02 1.34 6.790650114e+01 1.182673851e+02 1.401350591e+02 1.36 6.120049366e+01 1.078199633e+02 1.281537648e+02 1.38 5.510358612e+01 9.823291307e+01 1.171650056e+02 1.40 4.955814577e+01 8.943721157e+01 1.070828404e+02 1.42 4.451212182e+01 8.137068068e+01 9.782853452e+01 1.44 3.991914113e+01 7.397543341e+01 8.933092849e+01 1.46 3.573776656e+01 6.719687934e+01 8.152571490e+01 1.48 3.193018886e+01 6.098415368e+01 7.435409120e+01 1.50 2.846231607e+01 5.529102749e+01 6.776192302e+01 1.52 2.530614065e+01 5.007612870e+01 6.169977200e+01 1.54 2.243589740e+01 4.530214194e+01 5.612329076e+01 1.56 1.982813730e+01 4.093463883e+01 5.099329694e+01 1.58 1.746203124e+01 3.694124861e+01 4.627520380e+01 1.60 1.531833294e+01 3.329122468e+01 4.193799951e+01 1.62 1.337865183e+01 2.995524714e+01 3.795318569e+01 1.64 1.162518768e+01 2.690585959e+01 3.429396490e+01 1.66 1.004084029e+01 2.411933360e+01 3.093456329e+01 1.68 8.609489321e+00 2.157224817e+01 2.785075232e+01 1.70 7.316215681e+00 1.924221665e+01 2.502150672e+01 1.72 6.147338370e+00 1.710912166e+01 2.242756528e+01 1.74 5.090314174e+00 1.515522691e+01 2.005044490e+01 1.76 4.133642949e+00 1.336506385e+01 1.787350964e+01 1.78 3.266866658e+00 1.172517833e+01 1.588158565e+01 1.80 2.480625909e+00 1.022382927e+01 1.406058019e+01 1.82 1.766671487e+00 8.850679636e+00 1.239714909e+01 1.84 1.117778718e+00 7.596488286e+00 1.087841275e+01 1.86 5.276171756e-01 6.452811165e+00 9.491755420e+00 1.88 -9.334201954e-03 5.411725381e+00 8.224794472e+00 1.90 -4.978097003e-01 4.465591728e+00 7.065594154e+00 1.92 -9.417882130e-01 3.606876734e+00 6.003087084e+00 1.94 -1.344600293e+00 2.828063564e+00 5.027525202e+00 1.96 -1.709101798e+00 2.121675410e+00 4.130742446e+00 1.98 -2.037852184e+00 1.480407333e+00 3.306123370e+00 2.00 -2.333245399e+00 8.973287761e-01 2.548333002e+00 2.02 -2.597579600e+00 3.660996198e-01 1.852948723e+00 2.04 -2.833080291e+00 -1.188588040e-01 1.216120571e+00 2.06 -3.041900071e+00 -5.622819029e-01 6.343250867e-01 2.08 -3.226114715e+00 -9.680839583e-01 1.042209398e-01 2.10 -3.387726804e+00 -1.339465639e+00 -3.774186122e-01 2.12 -3.528678848e+00 -1.679067999e+00 -8.137306783e-01 2.14 -3.650868315e+00 -1.989132279e+00 -1.207773619e+00 2.16 -3.756149831e+00 -2.271635436e+00 -1.562540108e+00 2.18 -3.846309898e+00 -2.528386406e+00 -1.880976039e+00 2.20 -3.923010887e+00 -2.761082113e+00 -2.165998516e+00 2.22 -3.987720465e+00 -2.971332034e+00 -2.420499550e+00 2.24 -4.041655944e+00 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-3.714624196e+00 -4.223664414e+00 -4.166126867e+00 2.62 -3.632441875e+00 -4.202643076e+00 -4.177201683e+00 2.64 -3.544762790e+00 -4.177223994e+00 -4.184114511e+00 2.66 -3.452173662e+00 -4.147572638e+00 -4.186880781e+00 2.68 -3.355376422e+00 -4.113685578e+00 -4.185524836e+00 2.70 -3.255168647e+00 -4.075476190e+00 -4.180070420e+00 2.72 -3.152410824e+00 -4.032876950e+00 -4.170547356e+00 2.74 -3.047984851e+00 -3.985854645e+00 -4.156831536e+00 2.76 -2.942749760e+00 -3.934415444e+00 -4.138536450e+00 2.78 -2.837501113e+00 -3.878614432e+00 -4.115314332e+00 2.80 -2.732940254e+00 -3.818564674e+00 -4.086895607e+00 2.82 -2.629658176e+00 -3.754441872e+00 -4.053097448e+00 2.84 -2.528136098e+00 -3.686482331e+00 -4.013833833e+00 2.86 -2.428760516e+00 -3.614973530e+00 -3.969122155e+00 2.88 -2.331846436e+00 -3.540238501e+00 -3.919081614e+00 2.90 -2.237660358e+00 -3.462616711e+00 -3.863920461e+00 2.92 -2.146435796e+00 -3.382445086e+00 -3.803912469e+00 2.94 -2.058378037e+00 -3.300042793e+00 -3.739366639e+00 2.96 -1.973659053e+00 -3.215702404e+00 -3.670596379e+00 2.98 -1.892406993e+00 -3.129688289e+00 -3.597894378e+00 3.00 -1.814695086e+00 -3.042241157e+00 -3.521516905e+00 3.02 -1.740534135e+00 -2.953586024e+00 -3.441678709e+00 3.04 -1.669870873e+00 -2.863940287e+00 -3.358556891e+00 3.06 -1.602592725e+00 -2.773519164e+00 -3.272301351e+00 3.08 -1.538538102e+00 -2.682537303e+00 -3.183049386e+00 3.10 -1.477510574e+00 -2.591207698e+00 -3.090942654e+00 3.12 -1.419294898e+00 -2.499740350e+00 -2.996145288e+00 3.14 -1.363672977e+00 -2.408343644e+00 -2.898862199e+00 3.16 -1.310438129e+00 -2.317229989e+00 -2.799356463e+00 3.18 -1.259406501e+00 -2.226625577e+00 -2.697964341e+00 3.20 -1.210424928e+00 -2.136781858e+00 -2.595106081e+00 3.22 -1.163374944e+00 -2.047985417e+00 -2.491290456e+00 3.24 -1.118173026e+00 -1.960562940e+00 -2.387111129e+00 3.26 -1.074767461e+00 -1.874878955e+00 -2.283233684e+00 3.28 -1.033132464e+00 -1.791325593e+00 -2.180373249e+00 3.30 -9.932604492e-01 -1.710305299e+00 -2.079264162e+00 3.32 -9.551534053e-01 -1.632208776e+00 -1.980624616e+00 3.34 -9.188144242e-01 -1.557391378e+00 -1.885120349e+00 3.36 -8.842403684e-01 -1.486151297e+00 -1.793331829e+00 3.38 -8.514162225e-01 -1.418712492e+00 -1.705728963e+00 3.40 -8.203114551e-01 -1.355214300e+00 -1.622656038e+00 3.42 -7.908797887e-01 -1.295708471e+00 -1.544327896e+00 3.44 -7.630590735e-01 -1.240163136e+00 -1.470836512e+00 3.46 -7.367734101e-01 -1.188472408e+00 -1.402165657e+00 3.48 -7.119364457e-01 -1.140469690e+00 -1.338210479e+00 3.50 -6.884549545e-01 -1.095942770e+00 -1.278798691e+00 3.52 -6.662323631e-01 -1.054648964e+00 -1.223710616e+00 3.54 -6.451719024e-01 -1.016329009e+00 -1.172696034e+00 3.56 -6.251792016e-01 -9.807188884e-01 -1.125487301e+00 3.58 -6.061642534e-01 -9.475592063e-01 -1.081808712e+00 3.60 -5.880427624e-01 -9.166021016e-01 -1.041382986e+00 3.62 -5.707369420e-01 -8.876158946e-01 -1.003935875e+00 3.64 -5.541758556e-01 -8.603878293e-01 -9.691997797e-01 3.66 -5.382954038e-01 -8.347252641e-01 -9.369168993e-01 3.68 -5.230380546e-01 -8.104557125e-01 -9.068421099e-01 3.70 -5.083524010e-01 -7.874261068e-01 -8.787454993e-01 3.72 -4.941926154e-01 -7.655015245e-01 -8.524143875e-01 3.74 -4.805178507e-01 -7.445633309e-01 -8.276546735e-01 3.76 -4.672916293e-01 -7.245079876e-01 -8.042914608e-01 3.78 -4.544812431e-01 -7.052452923e-01 -7.821689496e-01 3.80 -4.420571820e-01 -6.866962296e-01 -7.611497268e-01 3.82 -4.299926006e-01 -6.687914732e-01 -7.411136400e-01 3.84 -4.182628252e-01 -6.514699747e-01 -7.219563594e-01 3.86 -4.068449036e-01 -6.346776740e-01 -7.035874393e-01 3.88 -3.957171934e-01 -6.183663443e-01 -6.859295444e-01 3.90 -3.848589892e-01 -6.024925777e-01 -6.689164315e-01 3.92 -3.742501794e-01 -5.870169052e-01 -6.524911734e-01 3.94 -3.638709488e-01 -5.719030739e-01 -6.366049246e-01 3.96 -3.537014799e-01 -5.571174141e-01 -6.212157211e-01 3.98 -3.437217135e-01 -5.426283848e-01 -6.062874621e-01 4.00 -3.339111208e-01 -5.284062313e-01 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-2.177799992e-02 -1.564169967e-01 -2.296088725e-01 4.74 -1.877860236e-02 -1.501767091e-01 -2.209926500e-01 4.76 -1.616297225e-02 -1.439364647e-01 -2.122665451e-01 4.78 -1.389083685e-02 -1.376809578e-01 -2.034233605e-01 4.80 -1.192361084e-02 -1.313994247e-01 -1.944606473e-01 4.82 -1.022514060e-02 -1.250861534e-01 -1.853816461e-01 4.84 -8.762145782e-03 -1.187408846e-01 -1.761961519e-01 4.86 -7.504425899e-03 -1.123691727e-01 -1.669212200e-01 4.88 -6.424893106e-03 -1.059825539e-01 -1.575816129e-01 4.90 -5.499483084e-03 -9.959849640e-02 -1.482098959e-01 4.92 -4.706985896e-03 -9.324007279e-02 -1.388460961e-01 4.94 -4.028829308e-03 -8.693531744e-02 -1.295368728e-01 4.96 -3.448838650e-03 -8.071626276e-02 -1.203341888e-01 4.98 -2.952990317e-03 -7.461768214e-02 -1.112935266e-01 5.00 -2.529170614e-03 -6.867560639e-02 -1.024717511e-01 5.02 -2.166947486e-03 -6.292571345e-02 -9.392476946e-02 5.04 -1.857359443e-03 -5.740171439e-02 -8.570517479e-02 5.06 -1.592723810e-03 -5.213386436e-02 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-9.406782490e-06 -4.623473030e-04 -6.914508156e-04 5.80 -8.247151056e-06 -4.042621884e-04 -6.045770312e-04 5.82 -7.234346411e-06 -3.536499447e-04 -5.288805861e-04 5.84 -6.349286090e-06 -3.095296978e-04 -4.628942991e-04 5.86 -5.575431650e-06 -2.710511806e-04 -4.053463525e-04 5.88 -4.898441020e-06 -2.374772515e-04 -3.551341440e-04 5.90 -4.305869487e-06 -2.081687282e-04 -3.113016009e-04 5.92 -3.786912407e-06 -1.825712427e-04 -2.730195186e-04 5.94 -3.332183648e-06 -1.602038560e-04 -2.395685294e-04 5.96 -2.933524676e-06 -1.406492032e-04 -2.103243615e-04 5.98 -2.583839961e-06 -1.235449663e-04 -1.847450832e-04 6.00 -2.276955012e-06 -1.085764977e-04 -1.623600694e-04