# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = Fe3Ni # 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 2025-12-17 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 5.223289045e+02 nan nan 1.04 4.737653484e+02 nan nan 1.06 4.318432130e+02 nan nan 1.08 3.960046841e+02 nan nan 1.10 3.656184913e+02 5.290718818e+02 nan 1.12 3.399750336e+02 nan nan 1.14 3.183249324e+02 4.555115529e+02 5.109434554e+02 1.16 2.999866179e+02 4.259248577e+02 4.681131422e+02 1.18 2.843317006e+02 4.000104884e+02 4.318564485e+02 1.20 2.708052341e+02 3.771213896e+02 4.011148408e+02 1.22 2.590017261e+02 3.567986339e+02 3.748747636e+02 1.24 2.485255725e+02 3.386643540e+02 3.521709931e+02 1.26 2.390087034e+02 3.223984958e+02 3.324077809e+02 1.28 2.301609406e+02 3.077035225e+02 3.150940118e+02 1.30 2.217618895e+02 2.942785238e+02 2.997891625e+02 1.32 2.136297033e+02 2.818551808e+02 2.861258803e+02 1.34 2.056128873e+02 2.702271074e+02 2.738467091e+02 1.36 1.975733898e+02 2.592168384e+02 2.627490782e+02 1.38 1.893984296e+02 2.486725521e+02 2.526637247e+02 1.40 1.810045674e+02 2.384727190e+02 2.434463590e+02 1.42 1.723300175e+02 2.285147319e+02 2.349349389e+02 1.44 1.633434251e+02 2.187160932e+02 2.269593621e+02 1.46 1.540396522e+02 2.090127667e+02 2.193582922e+02 1.48 1.444408680e+02 1.993502537e+02 2.120007853e+02 1.50 1.345922023e+02 1.896864957e+02 2.047739696e+02 1.52 1.245548604e+02 1.800001394e+02 1.975715635e+02 1.54 1.141347554e+02 1.702859147e+02 1.903108256e+02 1.56 1.032676530e+02 1.605651193e+02 1.829285497e+02 1.58 9.229936996e+01 1.508779267e+02 1.753706623e+02 1.60 8.154884478e+01 1.412693675e+02 1.675969747e+02 1.62 7.122378221e+01 1.317898408e+02 1.595853657e+02 1.64 6.144081968e+01 1.224901260e+02 1.513287393e+02 1.66 5.230698598e+01 1.133393974e+02 1.428370720e+02 1.68 4.391124187e+01 1.040541945e+02 1.341348915e+02 1.70 3.631565186e+01 9.480340743e+01 1.252596401e+02 1.72 2.955384519e+01 8.578541844e+01 1.160622466e+02 1.74 2.363365698e+01 7.715328273e+01 1.064125050e+02 1.76 1.854266847e+01 6.896183275e+01 9.656916396e+01 1.78 1.424431098e+01 6.122164521e+01 8.678115621e+01 1.80 1.067780696e+01 5.394214180e+01 7.725311597e+01 1.82 7.766966571e+00 4.713107096e+01 6.809473255e+01 1.84 5.428119845e+00 4.078335239e+01 5.939690260e+01 1.86 3.574861206e+00 3.490863055e+01 5.123972576e+01 1.88 2.122268771e+00 2.952495220e+01 4.368855441e+01 1.90 9.683777915e-01 2.464433815e+01 3.679227818e+01 1.92 4.555769200e-02 2.026859603e+01 3.058147369e+01 1.94 -6.851074032e-01 1.638827179e+01 2.506539916e+01 1.96 -1.259515509e+00 1.298375299e+01 2.023487978e+01 1.98 -1.711715297e+00 1.002995199e+01 1.606418148e+01 2.00 -2.074157477e+00 7.497369473e+00 1.251275354e+01 2.02 -2.377658573e+00 5.351142048e+00 9.528894118e+00 2.04 -2.645524347e+00 3.554887305e+00 7.053283836e+00 2.06 -2.889847428e+00 2.068582161e+00 5.022421608e+00 2.08 -3.116801081e+00 8.515170208e-01 3.371254764e+00 2.10 -3.327183493e+00 -1.364842529e-01 2.036111430e+00 2.12 -3.520755950e+00 -9.457863600e-01 9.407900182e-01 2.14 -3.694844946e+00 -1.613127449e+00 3.062799323e-02 2.16 -3.845988871e+00 -2.157569995e+00 -7.219885430e-01 2.18 -3.973090236e+00 -2.598269926e+00 -1.342479456e+00 2.20 -4.076780256e+00 -2.952915248e+00 -1.854481089e+00 2.22 -4.158182570e+00 -3.237518076e+00 -2.280431258e+00 2.24 -4.219171357e+00 -3.467210554e+00 -2.640741088e+00 2.26 -4.261522762e+00 -3.656354194e+00 -2.953107023e+00 2.28 -4.286915454e+00 -3.815039548e+00 -3.228801448e+00 2.30 -4.297480886e+00 -3.948587791e+00 -3.472191733e+00 2.32 -4.295380586e+00 -4.061639154e+00 -3.686579229e+00 2.34 -4.282594713e+00 -4.157161572e+00 -3.872810408e+00 2.36 -4.260574637e+00 -4.237472749e+00 -4.031342281e+00 2.38 -4.230501975e+00 -4.303425452e+00 -4.162556063e+00 2.40 -4.193615692e+00 -4.354494613e+00 -4.266590568e+00 2.42 -4.151231115e+00 -4.390516915e+00 -4.344568662e+00 2.44 -4.104750904e+00 -4.413010867e+00 -4.399742787e+00 2.46 -4.055664315e+00 -4.423918942e+00 -4.435908004e+00 2.48 -4.005516511e+00 -4.425100523e+00 -4.456769085e+00 2.50 -3.955578401e+00 -4.418327234e+00 -4.465952346e+00 2.52 -3.906096791e+00 -4.405075412e+00 -4.466703945e+00 2.54 -3.856719275e+00 -4.385979511e+00 -4.460629195e+00 2.56 -3.806889883e+00 -4.361673534e+00 -4.448688019e+00 2.58 -3.755946404e+00 -4.332797284e+00 -4.431731159e+00 2.60 -3.703197757e+00 -4.300007016e+00 -4.410537658e+00 2.62 -3.647972441e+00 -4.263952500e+00 -4.385731970e+00 2.64 -3.589616683e+00 -4.225103306e+00 -4.357494624e+00 2.66 -3.527493986e+00 -4.183605134e+00 -4.325876267e+00 2.68 -3.460985258e+00 -4.139391616e+00 -4.290954110e+00 2.70 -3.389495615e+00 -4.092421360e+00 -4.252845088e+00 2.72 -3.312775133e+00 -4.042661693e+00 -4.211710069e+00 2.74 -3.231249713e+00 -3.990059047e+00 -4.167569347e+00 2.76 -3.145442004e+00 -3.934506240e+00 -4.120230346e+00 2.78 -3.055884120e+00 -3.875819016e+00 -4.069537929e+00 2.80 -2.963175514e+00 -3.813888894e+00 -4.015616138e+00 2.82 -2.867969896e+00 -3.748724067e+00 -3.958803066e+00 2.84 -2.770922789e+00 -3.680345258e+00 -3.899425094e+00 2.86 -2.672687649e+00 -3.608782792e+00 -3.837763386e+00 2.88 -2.573912988e+00 -3.534149792e+00 -3.774025100e+00 2.90 -2.475237508e+00 -3.456850981e+00 -3.708347377e+00 2.92 -2.377283745e+00 -3.377368842e+00 -3.640897992e+00 2.94 -2.280606164e+00 -3.296195111e+00 -3.572036453e+00 2.96 -2.185652746e+00 -3.213830153e+00 -3.502190123e+00 2.98 -2.092837916e+00 -3.130782172e+00 -3.431802635e+00 3.00 -2.002561011e+00 -3.047566320e+00 -3.361334194e+00 3.02 -1.915210949e+00 -2.964708651e+00 -3.291268788e+00 3.04 -1.831162674e+00 -2.882764732e+00 -3.222142973e+00 3.06 -1.750718066e+00 -2.802139321e+00 -3.154279429e+00 3.08 -1.674045278e+00 -2.722911279e+00 -3.087526213e+00 3.10 -1.601285732e+00 -2.645117972e+00 -3.021680384e+00 3.12 -1.532569559e+00 -2.568768081e+00 -2.956545367e+00 3.14 -1.468011720e+00 -2.493836203e+00 -2.891929330e+00 3.16 -1.407540890e+00 -2.420288348e+00 -2.827643326e+00 3.18 -1.350848248e+00 -2.348081877e+00 -2.763499217e+00 3.20 -1.297601578e+00 -2.277161807e+00 -2.699307387e+00 3.22 -1.247460689e+00 -2.207453960e+00 -2.634874109e+00 3.24 -1.200077429e+00 -2.138865837e+00 -2.569997736e+00 3.26 -1.155095561e+00 -2.071293309e+00 -2.504464543e+00 3.28 -1.112150495e+00 -2.004622527e+00 -2.438045190e+00 3.30 -1.070868859e+00 -1.938730551e+00 -2.370491548e+00 3.32 -1.030884017e+00 -1.873528039e+00 -2.301598721e+00 3.34 -9.919092179e-01 -1.809127434e+00 -2.231502849e+00 3.36 -9.536837110e-01 -1.745599448e+00 -2.160452801e+00 3.38 -9.160898105e-01 -1.682971731e+00 -2.088687771e+00 3.40 -8.791546418e-01 -1.621267299e+00 -2.016437936e+00 3.42 -8.429314602e-01 -1.560504807e+00 -1.943925311e+00 3.44 -8.073540867e-01 -1.500698692e+00 -1.871364646e+00 3.46 -7.726922993e-01 -1.441859205e+00 -1.798964328e+00 3.48 -7.388805262e-01 -1.383992334e+00 -1.726927293e+00 3.50 -7.054788863e-01 -1.327099601e+00 -1.655451922e+00 3.52 -6.725613841e-01 -1.271177131e+00 -1.584732030e+00 3.54 -6.404440493e-01 -1.216212582e+00 -1.514953844e+00 3.56 -6.093390195e-01 -1.162187914e+00 -1.446300435e+00 3.58 -5.796296622e-01 -1.109133964e+00 -1.378952218e+00 3.60 -5.514667091e-01 -1.057137737e+00 -1.313051325e+00 3.62 -5.246776376e-01 -1.006271513e+00 -1.248706881e+00 3.64 -4.990309864e-01 -9.566080810e-01 -1.186028304e+00 3.66 -4.743079828e-01 -9.082214930e-01 -1.125127084e+00 3.68 -4.503080479e-01 -8.611873931e-01 -1.066117184e+00 3.70 -4.269485907e-01 -8.155821066e-01 -1.009113978e+00 3.72 -4.042479684e-01 -7.714864880e-01 -9.542332639e-01 3.74 -3.822267921e-01 -7.289738556e-01 -9.015913832e-01 3.76 -3.609488457e-01 -6.881382164e-01 -8.513049356e-01 3.78 -3.404016119e-01 -6.490663915e-01 -8.034901939e-01 3.80 -3.205388796e-01 -6.117740461e-01 -7.582628428e-01 3.82 -3.015847098e-01 -5.764364420e-01 -7.157606543e-01 3.84 -2.837467815e-01 -5.432568216e-01 -6.760008380e-01 3.86 -2.666236968e-01 -5.122573950e-01 -6.391454063e-01 3.88 -2.496642799e-01 -4.828242133e-01 -6.052250616e-01 3.90 -2.331932553e-01 -4.546978900e-01 -5.737344923e-01 3.92 -2.181562359e-01 -4.290241548e-01 -5.443590453e-01 3.94 -2.056116419e-01 -4.060513154e-01 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