# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNi3 # 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 2026-08-31 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 5.008667938e+06 nan nan 0.80 4.495849034e+06 nan nan 0.82 4.032717723e+06 nan nan 0.84 3.613503258e+06 nan nan 0.86 3.233223882e+06 4.790766209e+06 nan 0.88 2.887515312e+06 4.338138447e+06 4.899877874e+06 0.90 2.572601227e+06 3.925601947e+06 4.449774316e+06 0.92 2.285207273e+06 3.548916386e+06 4.038701355e+06 0.94 2.022470387e+06 3.204309774e+06 3.662609486e+06 0.96 1.781851138e+06 2.888482523e+06 3.317851304e+06 0.98 1.561132528e+06 2.598560136e+06 3.001291957e+06 1.00 1.358352188e+06 2.331959466e+06 2.710122121e+06 1.02 1.171775759e+06 2.086438982e+06 2.441926962e+06 1.04 9.998640324e+05 1.860015262e+06 2.194530680e+06 1.06 8.412737732e+05 1.650910227e+06 1.966030111e+06 1.08 6.947616902e+05 1.457579239e+06 1.754707056e+06 1.10 5.592499077e+05 1.278617096e+06 1.559017339e+06 1.12 4.349711257e+05 1.112725962e+06 1.377581109e+06 1.14 3.328503662e+05 9.587657615e+05 1.209133426e+06 1.16 2.548421724e+05 8.157074625e+05 1.052561236e+06 1.18 1.954873197e+05 6.826491647e+05 9.068818138e+05 1.20 1.502123926e+05 5.587394349e+05 7.711867076e+05 1.22 1.156073844e+05 4.440777913e+05 6.446708159e+05 1.24 8.910661633e+04 3.475256924e+05 5.266119427e+05 1.26 6.876990744e+04 2.718837328e+05 4.184626518e+05 1.28 5.313600782e+04 2.130610275e+05 3.293544325e+05 1.30 4.109901765e+04 1.672149407e+05 2.595259970e+05 1.32 3.181743147e+04 1.314142063e+05 2.048136239e+05 1.34 2.465048987e+04 1.034087849e+05 1.618690363e+05 1.36 1.910873416e+04 8.146538824e+04 1.280970906e+05 1.38 1.481904253e+04 6.424667566e+04 1.014851883e+05 1.40 1.149587464e+04 5.071638273e+04 8.048480976e+04 1.42 8.919731498e+03 4.006987572e+04 6.389002008e+04 1.44 6.921446873e+03 3.167946914e+04 5.075951745e+04 1.46 5.370350605e+03 2.505917860e+04 4.035897817e+04 1.48 4.165690175e+03 1.983146235e+04 3.211092383e+04 1.50 3.229999959e+03 1.569999533e+04 2.556262750e+04 1.52 2.503239383e+03 1.243230726e+04 2.035970327e+04 1.54 1.938821905e+03 9.846437455e+03 1.622269109e+04 1.56 1.500565552e+03 7.799128014e+03 1.293043258e+04 1.58 1.160323249e+03 6.177460286e+03 1.030859223e+04 1.60 8.962124078e+02 4.892581290e+03 8.219298461e+03 1.62 6.912932952e+02 3.874330078e+03 6.553742790e+03 1.64 5.323999566e+02 3.066986552e+03 5.225107192e+03 1.66 4.092950577e+02 2.426679296e+03 4.164750848e+03 1.68 3.140193714e+02 1.918839970e+03 3.318457758e+03 1.70 2.403621211e+02 1.516157241e+03 2.643033745e+03 1.72 1.834783469e+02 1.196965915e+03 2.104004739e+03 1.74 1.396004841e+02 9.439962007e+02 1.673855256e+03 1.76 1.058094875e+02 7.435921079e+02 1.330679822e+03 1.78 7.983257820e+01 5.849425108e+02 1.056990190e+03 1.80 5.989599234e+01 4.594482702e+02 8.387967580e+02 1.82 4.462295761e+01 3.602687705e+02 6.649146625e+02 1.84 3.294524932e+01 2.819629369e+02 5.264222639e+02 1.86 2.403711875e+01 2.202037678e+02 4.161184749e+02 1.88 1.725708031e+01 1.715511350e+02 3.283299214e+02 1.90 1.210845490e+01 1.332558495e+02 2.585284975e+02 1.92 8.207198798e+00 1.031462676e+02 2.030887371e+02 1.94 5.256909308e+00 7.950751689e+01 1.591127318e+02 1.96 3.029419715e+00 6.097263485e+01 1.242783301e+02 1.98 1.349596116e+00 4.646660050e+01 9.672583650e+01 2.00 8.342918091e-02 3.513593135e+01 7.496525517e+01 2.02 -8.713472490e-01 2.630164440e+01 5.780542517e+01 2.04 -1.592251194e+00 1.942774374e+01 4.429718332e+01 2.06 -2.137887768e+00 1.409059433e+01 3.368283993e+01 2.08 -2.552387460e+00 9.955313851e+00 2.535797968e+01 2.10 -2.868763604e+00 6.757687413e+00 1.884107968e+01 2.12 -3.111559856e+00 4.289585991e+00 1.374907333e+01 2.14 -3.298985037e+00 2.387650101e+00 9.777611677e+00 2.16 -3.444453826e+00 9.240068716e-01 6.684955340e+00 2.18 -3.557788510e+00 -2.012936763e-01 4.280442640e+00 2.20 -3.646092558e+00 -1.066145988e+00 2.413132665e+00 2.22 -3.714556593e+00 -1.731003003e+00 9.650975552e-01 2.24 -3.766929059e+00 -2.242595415e+00 -1.564873783e-01 2.26 -3.805901502e+00 -2.636937175e+00 -1.024586487e+00 2.28 -3.833406143e+00 -2.941648243e+00 -1.696368992e+00 2.30 -3.850838420e+00 -3.177852520e+00 -2.216471617e+00 2.32 -3.859221815e+00 -3.361618473e+00 -2.619624524e+00 2.34 -3.859328525e+00 -3.505100825e+00 -2.932718350e+00 2.36 -3.851766542e+00 -3.617439588e+00 -3.176467572e+00 2.38 -3.837041359e+00 -3.705465771e+00 -3.366774616e+00 2.40 -3.815598670e+00 -3.774253343e+00 -3.515784765e+00 2.42 -3.787852969e+00 -3.827549219e+00 -3.632722991e+00 2.44 -3.754186619e+00 -3.868086979e+00 -3.724524862e+00 2.46 -3.714951458e+00 -3.897830192e+00 -3.796346786e+00 2.48 -3.670507516e+00 -3.918246504e+00 -3.852096743e+00 2.50 -3.621206554e+00 -3.930424935e+00 -3.894683375e+00 2.52 -3.567454411e+00 -3.935178241e+00 -3.926260356e+00 2.54 -3.509659510e+00 -3.933112941e+00 -3.948392067e+00 2.56 -3.448230287e+00 -3.924563319e+00 -3.962216802e+00 2.58 -3.383572395e+00 -3.909892022e+00 -3.968614120e+00 2.60 -3.316070223e+00 -3.889450652e+00 -3.968249131e+00 2.62 -3.245953014e+00 -3.863557976e+00 -3.961636953e+00 2.64 -3.173552060e+00 -3.832515559e+00 -3.949191047e+00 2.66 -3.099227166e+00 -3.796618059e+00 -3.931258675e+00 2.68 -3.023323451e+00 -3.756159565e+00 -3.908146414e+00 2.70 -2.946163354e+00 -3.711437027e+00 -3.880138052e+00 2.72 -2.868016528e+00 -3.662751624e+00 -3.847506698e+00 2.74 -2.789168940e+00 -3.610408688e+00 -3.810522566e+00 2.76 -2.709895661e+00 -3.554716688e+00 -3.769457552e+00 2.78 -2.630453203e+00 -3.495985612e+00 -3.724587485e+00 2.80 -2.551079462e+00 -3.434525045e+00 -3.676192745e+00 2.82 -2.471993846e+00 -3.370642116e+00 -3.624443254e+00 2.84 -2.393383063e+00 -3.304624500e+00 -3.569485549e+00 2.86 -2.315416035e+00 -3.236752588e+00 -3.511581741e+00 2.88 -2.238259063e+00 -3.167313184e+00 -3.451010823e+00 2.90 -2.162061999e+00 -3.096583495e+00 -3.388049281e+00 2.92 -2.086958946e+00 -3.024829856e+00 -3.322969550e+00 2.94 -2.013069008e+00 -2.952306680e+00 -3.256038530e+00 2.96 -1.940497082e+00 -2.879229115e+00 -3.187516227e+00 2.98 -1.869334663e+00 -2.805735081e+00 -3.117654525e+00 3.00 -1.799660665e+00 -2.731913350e+00 -3.046696134e+00 3.02 -1.731542242e+00 -2.657940499e+00 -2.974873708e+00 3.04 -1.665035596e+00 -2.583999819e+00 -2.902409127e+00 3.06 -1.600186776e+00 -2.510261673e+00 -2.829512949e+00 3.08 -1.537032453e+00 -2.436883666e+00 -2.756384022e+00 3.10 -1.475600664e+00 -2.364010887e+00 -2.683209229e+00 3.12 -1.415911540e+00 -2.291776236e+00 -2.610163371e+00 3.14 -1.357966319e+00 -2.220300803e+00 -2.537409164e+00 3.16 -1.301719251e+00 -2.149694291e+00 -2.465097334e+00 3.18 -1.247165668e+00 -2.080055486e+00 -2.393366807e+00 3.20 -1.194302123e+00 -2.011472747e+00 -2.322344967e+00 3.22 -1.143120479e+00 -1.944024514e+00 -2.252147979e+00 3.24 -1.093608411e+00 -1.877779841e+00 -2.182881163e+00 3.26 -1.045749170e+00 -1.812798918e+00 -2.114637508e+00 3.28 -9.994979121e-01 -1.749133604e+00 -2.047431109e+00 3.30 -9.548204920e-01 -1.686827954e+00 -1.981301435e+00 3.32 -9.116934645e-01 -1.625918737e+00 -1.916315079e+00 3.34 -8.700912097e-01 -1.566435940e+00 -1.852530444e+00 3.36 -8.299862404e-01 -1.508403260e+00 -1.789998215e+00 3.38 -7.913494842e-01 -1.451838582e+00 -1.728761822e+00 3.40 -7.541505414e-01 -1.396754435e+00 -1.668857898e+00 3.42 -7.183579214e-01 -1.343158427e+00 -1.610316737e+00 3.44 -6.839392577e-01 -1.291053671e+00 -1.553150565e+00 3.46 -6.508615034e-01 -1.240436710e+00 -1.497313222e+00 3.48 -6.190911081e-01 -1.191266838e+00 -1.442810412e+00 3.50 -5.885941783e-01 -1.143525162e+00 -1.389653203e+00 3.52 -5.593366209e-01 -1.097202002e+00 -1.337848497e+00 3.54 -5.312842726e-01 -1.052284995e+00 -1.287399373e+00 3.56 -5.044030158e-01 -1.008759379e+00 -1.238305415e+00 3.58 -4.786588808e-01 -9.666082612e-01 -1.190563016e+00 3.60 -4.540181375e-01 -9.258128625e-01 -1.144165675e+00 3.62 -4.304473758e-01 -8.863527507e-01 -1.099104271e+00 3.64 -4.079135760e-01 -8.482060537e-01 -1.055367324e+00 3.66 -3.863841701e-01 -8.113496575e-01 -1.012941237e+00 3.68 -3.658270956e-01 -7.757593893e-01 -9.718105269e-01 3.70 -3.462108409e-01 -7.414101864e-01 -9.319580343e-01 3.72 -3.275044838e-01 -7.082762507e-01 -8.933651253e-01 3.74 -3.096777246e-01 -6.763311914e-01 -8.560118754e-01 3.76 -2.927009122e-01 -6.455481547e-01 -8.198772414e-01 3.78 -2.765450665e-01 -6.158999427e-01 -7.849392201e-01 3.80 -2.611818952e-01 -5.873591212e-01 -7.511749958e-01 3.82 -2.465838065e-01 -5.598981179e-01 -7.185610753e-01 3.84 -2.327239181e-01 -5.334893112e-01 -6.870734129e-01 3.86 -2.195760636e-01 -5.081051097e-01 -6.566875245e-01 3.88 -2.071147945e-01 -4.837180244e-01 -6.273785927e-01 3.90 -1.953153805e-01 -4.603007333e-01 -5.991215622e-01 3.92 -1.841538075e-01 -4.378261382e-01 -5.718912270e-01 3.94 -1.736067731e-01 -4.162674160e-01 -5.456623099e-01 3.96 -1.636516815e-01 -3.955980636e-01 -5.204095335e-01 3.98 -1.542085116e-01 -3.757919374e-01 -4.961076857e-01 4.00 -1.452014093e-01 -3.568232877e-01 -4.727278843e-01 4.02 -1.366150397e-01 -3.386667881e-01 -4.502297186e-01 4.04 -1.284344703e-01 -3.212975616e-01 -4.285875044e-01 4.06 -1.206450100e-01 -3.046912017e-01 -4.077775725e-01 4.08 -1.132328972e-01 -2.888237907e-01 -3.877765378e-01 4.10 -1.061847881e-01 -2.736719141e-01 -3.685613312e-01 4.12 -9.948768572e-02 -2.592126727e-01 -3.501092267e-01 4.14 -9.312895596e-02 -2.454236918e-01 -3.323978653e-01 4.16 -8.709633748e-02 -2.322831271e-01 -3.154052753e-01 4.18 -8.137794714e-02 -2.197696703e-01 -2.991098898e-01 4.20 -7.596228156e-02 -2.078625512e-01 -2.834905612e-01 4.22 -7.083821548e-02 -1.965065652e-01 -2.685265734e-01 4.24 -6.599499775e-02 -1.856474799e-01 -2.541976511e-01 4.26 -6.142224539e-02 -1.752691073e-01 -2.404839675e-01 4.28 -5.710993621e-02 -1.653556922e-01 -2.273661497e-01 4.30 -5.304840027e-02 -1.558919043e-01 -2.148252828e-01 4.32 -4.922831055e-02 -1.468628348e-01 -2.028429118e-01 4.34 -4.564047059e-02 -1.382539909e-01 -1.914010424e-01 4.36 -4.225329464e-02 -1.300512906e-01 -1.804821408e-01 4.38 -3.904408044e-02 -1.222410576e-01 -1.700691314e-01 4.40 -3.600650057e-02 -1.148100152e-01 -1.601453949e-01 4.42 -3.313443732e-02 -1.077452794e-01 -1.506947641e-01 4.44 -3.042197687e-02 -1.010343531e-01 -1.417015182e-01 4.46 -2.786340358e-02 -9.466496618e-02 -1.331503788e-01 4.48 -2.545319430e-02 -8.862532614e-02 -1.250265043e-01 4.50 -2.318601285e-02 -8.290417124e-02 -1.173154837e-01 4.52 -2.105628647e-02 -7.749055462e-02 -1.100032275e-01 4.54 -1.905887835e-02 -7.237384408e-02 -1.030759846e-01 4.56 -1.718928281e-02 -6.754342632e-02 -9.652077058e-02 4.58 -1.544307528e-02 -6.298930615e-02 -9.032495287e-02 4.60 -1.381592415e-02 -5.870203574e-02 -8.447623602e-02 4.62 -1.230359986e-02 -5.467237772e-02 -7.896266809e-02 4.64 -1.090198192e-02 -5.089132510e-02 -7.377264396e-02 4.66 -9.607063925e-03 -4.735011545e-02 -6.889490607e-02 4.68 -8.414957044e-03 -4.404024071e-02 -6.431854290e-02 4.70 -7.321892097e-03 -4.095345298e-02 -6.003298588e-02 4.72 -6.324220541e-03 -3.808176730e-02 -5.602800475e-02 4.74 -5.418414499e-03 -3.541746185e-02 -5.229370184e-02 4.76 -4.601066005e-03 -3.295307601e-02 -4.882050547e-02 4.78 -3.868885618e-03 -3.068140690e-02 -4.559916271e-02 4.80 -3.218700509e-03 -2.859550520e-02 -4.262073275e-02 4.82 -2.647452134e-03 -2.668866731e-02 -3.987657569e-02 4.84 -2.152193584e-03 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