# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = AlCo3 # 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 2025-07-01 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 6.890870022e+02 nan nan 0.92 6.241578017e+02 nan nan 0.94 5.631361827e+02 nan nan 0.96 5.066180378e+02 nan nan 0.98 4.548421016e+02 6.650925146e+02 nan 1.00 4.078054680e+02 6.085980384e+02 nan 1.02 3.653474946e+02 5.560983730e+02 6.873780975e+02 1.04 3.272101158e+02 5.076389537e+02 6.359144573e+02 1.06 2.930803315e+02 4.631411731e+02 5.881436095e+02 1.08 2.624799604e+02 4.220706224e+02 5.433487106e+02 1.10 2.346592058e+02 3.831297693e+02 4.997139851e+02 1.12 2.094680375e+02 3.465681723e+02 4.577701922e+02 1.14 1.867661209e+02 3.126024355e+02 4.180105383e+02 1.16 1.663847215e+02 2.813128075e+02 3.807258903e+02 1.18 1.481412208e+02 2.526831342e+02 3.460582205e+02 1.20 1.318492698e+02 2.266310951e+02 3.140418101e+02 1.22 1.173257082e+02 2.030308977e+02 2.846348258e+02 1.24 1.043950960e+02 1.817301260e+02 2.577433257e+02 1.26 9.289251337e+01 1.625621109e+02 2.332393835e+02 1.28 8.266511334e+01 1.453548616e+02 2.109746191e+02 1.30 7.357278964e+01 1.299373759e+02 1.907901696e+02 1.32 6.548823665e+01 1.161439749e+02 1.725239205e+02 1.34 5.829659625e+01 1.038171479e+02 1.560156306e+02 1.36 5.189484330e+01 9.280929582e+01 1.411104571e+02 1.38 4.619101246e+01 8.298366310e+01 1.276612686e+02 1.40 4.110334477e+01 7.421468637e+01 1.155300565e+02 1.42 3.655940582e+01 6.638793080e+01 1.045886799e+02 1.44 3.249521218e+01 5.939974192e+01 9.471912381e+01 1.46 2.885439058e+01 5.315671365e+01 8.581340374e+01 1.48 2.558738413e+01 4.757504223e+01 7.777320837e+01 1.50 2.265071465e+01 4.257981925e+01 7.050942496e+01 1.52 2.000630480e+01 3.810430404e+01 6.394158496e+01 1.54 1.762086094e+01 3.408919935e+01 5.799725396e+01 1.56 1.546531487e+01 3.048195053e+01 5.261140108e+01 1.58 1.351432265e+01 2.723608055e+01 4.772577153e+01 1.60 1.174581562e+01 2.431056613e+01 4.328827548e+01 1.62 1.014060060e+01 2.166926102e+01 3.925240701e+01 1.64 8.682004551e+00 1.928036669e+01 3.557669832e+01 1.66 7.355558894e+00 1.711594957e+01 3.222421184e+01 1.68 6.148669464e+00 1.515150451e+01 2.916207383e+01 1.70 5.050208688e+00 1.336556094e+01 2.636104751e+01 1.72 4.050285640e+00 1.173932826e+01 2.379514487e+01 1.74 3.140111429e+00 1.025635393e+01 2.144127641e+01 1.76 2.311879223e+00 8.902199414e+00 1.927893482e+01 1.78 1.558651826e+00 7.664173268e+00 1.728991118e+01 1.80 8.742038442e-01 6.531056583e+00 1.545804108e+01 1.82 2.528759143e-01 5.492909513e+00 1.376897712e+01 1.84 -3.104875931e-01 4.540927561e+00 1.220998637e+01 1.86 -8.205863325e-01 3.667313969e+00 1.076976983e+01 1.88 -1.281707070e+00 2.865165919e+00 9.438301479e+00 1.90 -1.697762450e+00 2.128373454e+00 8.206685393e+00 1.92 -2.072325950e+00 1.451529492e+00 7.067028536e+00 1.94 -2.408663367e+00 8.298497869e-01 6.012327635e+00 1.96 -2.709761170e+00 2.591018907e-01 5.036368749e+00 1.98 -2.978352084e+00 -2.644583440e-01 4.133637448e+00 2.00 -3.216938171e+00 -7.441565037e-01 3.299218974e+00 2.02 -3.427811665e+00 -1.182984801e+00 2.528674657e+00 2.04 -3.613074688e+00 -1.583652245e+00 1.817970328e+00 2.06 -3.774669437e+00 -1.948650494e+00 1.163380748e+00 2.08 -3.914407666e+00 -2.280318631e+00 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-4.529760415e+00 -4.290674933e+00 2.46 -4.115440913e+00 -4.528107010e+00 -4.351182548e+00 2.48 -4.058176491e+00 -4.519121451e+00 -4.399032993e+00 2.50 -3.998178612e+00 -4.503424035e+00 -4.435205837e+00 2.52 -3.935809694e+00 -4.481594924e+00 -4.460619350e+00 2.54 -3.871404125e+00 -4.454176498e+00 -4.476134036e+00 2.56 -3.805270139e+00 -4.421675569e+00 -4.482555968e+00 2.58 -3.737691563e+00 -4.384565484e+00 -4.480639950e+00 2.60 -3.668929463e+00 -4.343288100e+00 -4.471092509e+00 2.62 -3.599223677e+00 -4.298255652e+00 -4.454574716e+00 2.64 -3.528794268e+00 -4.249852516e+00 -4.431704864e+00 2.66 -3.457842864e+00 -4.198436874e+00 -4.403060993e+00 2.68 -3.386553933e+00 -4.144342280e+00 -4.369183272e+00 2.70 -3.315095966e+00 -4.087879149e+00 -4.330576257e+00 2.72 -3.243622587e+00 -4.029336147e+00 -4.287711018e+00 2.74 -3.172273596e+00 -3.968981514e+00 -4.241027140e+00 2.76 -3.101175938e+00 -3.907064305e+00 -4.190934629e+00 2.78 -3.030444617e+00 -3.843815566e+00 -4.137815687e+00 2.80 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-2.971469139e+00 3.16 -1.845625400e+00 -2.596233764e+00 -2.906622330e+00 3.18 -1.793975638e+00 -2.535111263e+00 -2.842562076e+00 3.20 -1.743467170e+00 -2.474847566e+00 -2.779358856e+00 3.22 -1.694094678e+00 -2.415470673e+00 -2.717076376e+00 3.24 -1.645851123e+00 -2.357004806e+00 -2.655771987e+00 3.26 -1.598727916e+00 -2.299470678e+00 -2.595497069e+00 3.28 -1.552715071e+00 -2.242885748e+00 -2.536297389e+00 3.30 -1.507801354e+00 -2.187264468e+00 -2.478213433e+00 3.32 -1.463974418e+00 -2.132618501e+00 -2.421280712e+00 3.34 -1.421220925e+00 -2.078956939e+00 -2.365530046e+00 3.36 -1.379526668e+00 -2.026286497e+00 -2.310987822e+00 3.38 -1.338876670e+00 -1.974611701e+00 -2.257676240e+00 3.40 -1.299255289e+00 -1.923935060e+00 -2.205613527e+00 3.42 -1.260646305e+00 -1.874257232e+00 -2.154814147e+00 3.44 -1.223033006e+00 -1.825577176e+00 -2.105288982e+00 3.46 -1.186398267e+00 -1.777892291e+00 -2.057045512e+00 3.48 -1.150724614e+00 -1.731198554e+00 -2.010170322e+00 3.50 -1.115994300e+00 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