# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu3 # 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 2022-05-24 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 1.882221551e+02 nan nan 0.92 1.772277501e+02 nan nan 0.94 1.668418671e+02 nan nan 0.96 1.569885553e+02 nan nan 0.98 1.476204144e+02 1.902350438e+02 nan 1.00 1.386875931e+02 1.802002322e+02 1.937848221e+02 1.02 1.301658101e+02 1.706496892e+02 1.839314066e+02 1.04 1.220276017e+02 1.615314695e+02 1.745658636e+02 1.06 1.142687378e+02 1.527909260e+02 1.656205435e+02 1.08 1.068700065e+02 1.444098527e+02 1.570513541e+02 1.10 9.982087588e+01 1.363672947e+02 1.488170190e+02 1.12 9.311727181e+01 1.286436540e+02 1.409002957e+02 1.14 8.674787223e+01 1.212185125e+02 1.332815596e+02 1.16 8.071100325e+01 1.140909029e+02 1.259423090e+02 1.18 7.499970134e+01 1.072600322e+02 1.188825389e+02 1.20 6.960061264e+01 1.007207091e+02 1.120984456e+02 1.22 6.450366088e+01 9.446004349e+01 1.055775652e+02 1.24 5.970530089e+01 8.848649385e+01 9.932629328e+01 1.26 5.519327495e+01 8.279383591e+01 9.333928469e+01 1.28 5.095196333e+01 7.737834287e+01 8.761440260e+01 1.30 4.697777188e+01 7.223243761e+01 8.214016800e+01 1.32 4.326036787e+01 6.734655818e+01 7.692264482e+01 1.34 3.978806156e+01 6.271900177e+01 7.195695417e+01 1.36 3.654519492e+01 5.834296048e+01 6.723769877e+01 1.38 3.352035267e+01 5.420876897e+01 6.275445705e+01 1.40 3.070648950e+01 5.031211825e+01 5.849868056e+01 1.42 2.809324294e+01 4.664440766e+01 5.447308304e+01 1.44 2.566841341e+01 4.319383337e+01 5.066794650e+01 1.46 2.342161516e+01 3.994794553e+01 4.707664332e+01 1.48 2.134001570e+01 3.690181913e+01 4.369358909e+01 1.50 1.941521929e+01 3.405052653e+01 4.050914680e+01 1.52 1.763926465e+01 3.138435039e+01 3.751455544e+01 1.54 1.600247217e+01 2.889293615e+01 3.470434943e+01 1.56 1.447980524e+01 2.656918350e+01 3.206987024e+01 1.58 1.309355285e+01 2.440421063e+01 2.960057622e+01 1.60 1.181934526e+01 2.238938174e+01 2.729062419e+01 1.62 1.064681636e+01 2.051615824e+01 2.513290969e+01 1.64 9.523075794e+00 1.877640933e+01 2.311970173e+01 1.66 8.508768685e+00 1.716000655e+01 2.124048405e+01 1.68 7.555668425e+00 1.566002985e+01 1.948833067e+01 1.70 6.661692276e+00 1.425582243e+01 1.785894866e+01 1.72 5.824121611e+00 1.297140963e+01 1.634538506e+01 1.74 5.040301661e+00 1.178408097e+01 1.494085940e+01 1.76 4.306971285e+00 1.067053359e+01 1.362203023e+01 1.78 3.621913471e+00 9.648431800e+00 1.241392112e+01 1.80 2.983613142e+00 8.667214616e+00 1.129523072e+01 1.82 2.388689509e+00 7.769892139e+00 1.026035426e+01 1.84 1.835475757e+00 6.924746944e+00 9.253296719e+00 1.86 1.321268519e+00 6.129241970e+00 8.342879378e+00 1.88 8.456425560e-01 5.381106947e+00 7.480710388e+00 1.90 4.065440206e-01 4.678262360e+00 6.664676487e+00 1.92 2.000116123e-03 4.018269919e+00 5.896218291e+00 1.94 -3.698913768e-01 3.397152637e+00 5.173162563e+00 1.96 -7.109616839e-01 2.815880940e+00 4.493446855e+00 1.98 -1.023027995e+00 2.270693302e+00 3.855081192e+00 2.00 -1.307725229e+00 1.761042358e+00 3.256223062e+00 2.02 -1.566671817e+00 1.286169308e+00 2.695072329e+00 2.04 -1.801422780e+00 8.443639290e-01 2.169156550e+00 2.06 -2.011386702e+00 4.339792022e-01 1.677633762e+00 2.08 -2.200163171e+00 5.342798754e-02 1.218921206e+00 2.10 -2.369222586e+00 -2.988189868e-01 7.914299289e-01 2.12 -2.520153814e+00 -6.242347889e-01 3.935276095e-01 2.14 -2.654147885e+00 -9.242279668e-01 2.391844100e-02 2.16 -2.771984608e+00 -1.200652792e+00 -3.188150588e-01 2.18 -2.875557483e+00 -1.454389726e+00 -6.360397111e-01 2.20 -2.965031601e+00 -1.686584486e+00 -9.290722520e-01 2.22 -3.041576620e+00 -1.897864310e+00 -1.199871120e+00 2.24 -3.106363155e+00 -2.089765942e+00 -1.450370218e+00 2.26 -3.159788192e+00 -2.262519765e+00 -1.680100830e+00 2.28 -3.201702514e+00 -2.418461123e+00 -1.890256094e+00 2.30 -3.233836118e+00 -2.558620312e+00 -2.080623651e+00 2.32 -3.257065525e+00 -2.683942420e+00 -2.252948391e+00 2.34 -3.272085987e+00 -2.795330550e+00 -2.408966859e+00 2.36 -3.279551602e+00 -2.893646731e+00 -2.549696781e+00 2.38 -3.280036083e+00 -2.979712877e+00 -2.676033075e+00 2.40 -3.274163739e+00 -3.054311555e+00 -2.788831700e+00 2.42 -3.262475970e+00 -3.118209133e+00 -2.888910004e+00 2.44 -3.245559584e+00 -3.172098793e+00 -2.977047716e+00 2.46 -3.223814400e+00 -3.216313362e+00 -3.053987844e+00 2.48 -3.197812712e+00 -3.251867676e+00 -3.120652274e+00 2.50 -3.168270759e+00 -3.279318553e+00 -3.178253742e+00 2.52 -3.135108616e+00 -3.299256581e+00 -3.226595567e+00 2.54 -3.098705107e+00 -3.312232614e+00 -3.266059549e+00 2.56 -3.059403616e+00 -3.318757778e+00 -3.296758928e+00 2.58 -3.017530586e+00 -3.319249107e+00 -3.320033715e+00 2.60 -2.971930161e+00 -3.315874291e+00 -3.336401829e+00 2.62 -2.923264264e+00 -3.307796513e+00 -3.346353204e+00 2.64 -2.872969704e+00 -3.294927930e+00 -3.350351946e+00 2.66 -2.822571858e+00 -3.277662553e+00 -3.348806387e+00 2.68 -2.771407750e+00 -3.256371152e+00 -3.342155151e+00 2.70 -2.719195223e+00 -3.231402468e+00 -3.330800207e+00 2.72 -2.666119769e+00 -3.203084294e+00 -3.315111425e+00 2.74 -2.612344282e+00 -3.171724510e+00 -3.295437840e+00 2.76 -2.558392196e+00 -3.137612094e+00 -3.272108612e+00 2.78 -2.504169209e+00 -3.101025995e+00 -3.245445947e+00 2.80 -2.449681524e+00 -3.062111155e+00 -3.215763012e+00 2.82 -2.394962623e+00 -3.020532748e+00 -3.183297395e+00 2.84 -2.340217143e+00 -2.976465033e+00 -3.148307723e+00 2.86 -2.285550510e+00 -2.930069128e+00 -3.111266059e+00 2.88 -2.231058490e+00 -2.882446948e+00 -3.074110296e+00 2.90 -2.176828548e+00 -2.833757148e+00 -3.034876383e+00 2.92 -2.122940087e+00 -2.784233590e+00 -2.991850960e+00 2.94 -2.069465069e+00 -2.733938105e+00 -2.947294596e+00 2.96 -2.016468508e+00 -2.683010690e+00 -2.901487506e+00 2.98 -1.964008962e+00 -2.631581394e+00 -2.854598305e+00 3.00 -1.912138976e+00 -2.579770861e+00 -2.806779506e+00 3.02 -1.860905443e+00 -2.527693537e+00 -2.758173488e+00 3.04 -1.810349930e+00 -2.476008438e+00 -2.708913069e+00 3.06 -1.760508970e+00 -2.424896291e+00 -2.659121975e+00 3.08 -1.711414566e+00 -2.373715125e+00 -2.608915390e+00 3.10 -1.663186350e+00 -2.322589520e+00 -2.558399888e+00 3.12 -1.615706308e+00 -2.271596064e+00 -2.507681159e+00 3.14 -1.568898676e+00 -2.220805570e+00 -2.456803990e+00 3.16 -1.522587827e+00 -2.170283060e+00 -2.405841829e+00 3.18 -1.476735654e+00 -2.120087978e+00 -2.354933963e+00 3.20 -1.431704276e+00 -2.070274541e+00 -2.304149226e+00 3.22 -1.387687597e+00 -2.020892089e+00 -2.253637680e+00 3.24 -1.344593109e+00 -1.971985441e+00 -2.203392118e+00 3.26 -1.302394624e+00 -1.923594998e+00 -2.153448726e+00 3.28 -1.261101911e+00 -1.875757064e+00 -2.103859604e+00 3.30 -1.220715450e+00 -1.828504375e+00 -2.054672324e+00 3.32 -1.181227930e+00 -1.781865021e+00 -2.005930166e+00 3.34 -1.142640079e+00 -1.735865862e+00 -1.957672386e+00 3.36 -1.104942776e+00 -1.690539031e+00 -1.909934557e+00 3.38 -1.068126248e+00 -1.645892754e+00 -1.862748733e+00 3.40 -1.032192332e+00 -1.601868328e+00 -1.816143667e+00 3.42 -9.971307736e-01 -1.558436045e+00 -1.770144406e+00 3.44 -9.629155973e-01 -1.515407702e+00 -1.724769278e+00 3.46 -9.295412460e-01 -1.472853677e+00 -1.680071939e+00 3.48 -8.970074444e-01 -1.431037487e+00 -1.636014928e+00 3.50 -8.652830192e-01 -1.390050683e+00 -1.592565585e+00 3.52 -8.343394071e-01 -1.349852390e+00 -1.550313675e+00 3.54 -8.041854730e-01 -1.310428072e+00 -1.508423300e+00 3.56 -7.748310145e-01 -1.271785219e+00 -1.467047001e+00 3.58 -7.462758612e-01 -1.233925558e+00 -1.426435794e+00 3.60 -7.183012773e-01 -1.196842703e+00 -1.386597049e+00 3.62 -6.909058382e-01 -1.160535316e+00 -1.347491032e+00 3.64 -6.642476534e-01 -1.125002014e+00 -1.309116390e+00 3.66 -6.384438022e-01 -1.090230009e+00 -1.271479590e+00 3.68 -6.135776375e-01 -1.056217192e+00 -1.234583524e+00 3.70 -5.897049577e-01 -1.022965849e+00 -1.198421787e+00 3.72 -5.669296832e-01 -9.904592820e-01 -1.162994516e+00 3.74 -5.453930214e-01 -9.586809982e-01 -1.128302123e+00 3.76 -5.246933884e-01 -9.276279003e-01 -1.094332088e+00 3.78 -5.044655696e-01 -8.973005220e-01 -1.061083105e+00 3.80 -4.844496992e-01 -8.676715083e-01 -1.028558428e+00 3.82 -4.644692922e-01 -8.387142624e-01 -9.967458092e-01 3.84 -4.444131586e-01 -8.104363812e-01 -9.656280049e-01 3.86 -4.242205752e-01 -7.828460706e-01 -9.352020061e-01 3.88 -4.038691926e-01 -7.559513848e-01 -9.054682988e-01 3.90 -3.833652239e-01 -7.296626135e-01 -8.764125978e-01 3.92 -3.627236554e-01 -7.038114239e-01 -8.479979683e-01 3.94 -3.419022680e-01 -6.785271943e-01 -8.202699298e-01 3.96 -3.210350278e-01 -6.539231974e-01 -7.932048216e-01 3.98 -3.003623724e-01 -6.300842699e-01 -7.668010852e-01 4.00 -2.800710401e-01 -6.070715725e-01 -7.410441492e-01 4.02 -2.603040716e-01 -5.849266582e-01 -7.157271461e-01 4.04 -2.412063748e-01 -5.637646923e-01 -6.908966540e-01 4.06 -2.253796705e-01 -5.436705388e-01 -6.666696334e-01 4.08 -2.104468097e-01 -5.243004336e-01 -6.431354735e-01 4.10 -1.961746769e-01 -5.053540441e-01 -6.203604403e-01 4.12 -1.825571627e-01 -4.866117304e-01 -5.983914900e-01 4.14 -1.695927371e-01 -4.679189071e-01 -5.772634145e-01 4.16 -1.572732252e-01 -4.491729775e-01 -5.571554638e-01 4.18 -1.455853403e-01 -4.303124470e-01 -5.379713813e-01 4.20 -1.345119406e-01 -4.113079045e-01 -5.193847274e-01 4.22 -1.240330575e-01 -3.921545595e-01 -5.011474792e-01 4.24 -1.141267333e-01 -3.728660014e-01 -4.830786112e-01 4.26 -1.047697028e-01 -3.534093632e-01 -4.650512639e-01 4.28 -9.593793554e-02 -3.337330090e-01 -4.469819793e-01 4.30 -8.760707314e-02 -3.157248485e-01 -4.288217050e-01 4.32 -7.975276997e-02 -2.986716713e-01 -4.105482933e-01 4.34 -7.235096432e-02 -2.819391086e-01 -3.921602906e-01 4.36 -6.537808082e-02 -2.656244519e-01 -3.736718126e-01 4.38 -5.881118684e-02 -2.497887051e-01 -3.550754181e-01 4.40 -5.262740401e-02 -2.344763896e-01 -3.363273321e-01 4.42 -4.672477894e-02 -2.197184268e-01 -3.176059098e-01 4.44 -4.267599011e-02 -2.055345499e-01 -2.990798894e-01 4.46 -3.962341339e-02 -1.919353425e-01 -2.808821643e-01 4.48 -3.671128653e-02 -1.789239706e-01 -2.631156843e-01 4.50 -3.395997576e-02 -1.664976255e-01 -2.458584561e-01 4.52 -3.136102105e-02 -1.546487464e-01 -2.291678048e-01 4.54 -2.890613437e-02 -1.433660429e-01 -2.130839837e-01 4.56 -2.658744057e-02 -1.326353503e-01 -1.976332347e-01 4.58 -2.439746504e-02 -1.224403423e-01 -1.828303723e-01 4.60 -2.232911902e-02 -1.127631159e-01 -1.686809539e-01 4.62 -2.037568525e-02 -1.035846785e-01 -1.551831111e-01 4.64 -1.853080251e-02 -9.488534549e-02 -1.423290816e-01 4.66 -1.678845100e-02 -8.664506921e-02 -1.301064975e-01 4.68 -1.514293621e-02 -7.884369825e-02 -1.184994479e-01 4.70 -1.358887354e-02 -7.146118754e-02 -1.074893638e-01 4.72 -1.212117323e-02 -6.447776531e-02 -9.705575045e-02 4.74 -1.073502560e-02 -5.787406290e-02 -8.717678837e-02 4.76 -9.425887337e-03 -5.163121794e-02 -7.782982973e-02 4.78 -8.189466913e-03 -4.573094442e-02 -6.899179059e-02 4.80 -7.021711460e-03 -4.015384833e-02 -6.063947364e-02 4.82 -5.918793902e-03 -3.493604439e-02 -5.274982294e-02 4.84 -4.877101045e-03 -3.002612223e-02 -4.530012767e-02 4.86 -3.893221876e-03 -2.538694373e-02 -3.826817760e-02 4.88 -2.963936138e-03 -2.100401587e-02 -3.163237879e-02 4.90 -2.086203889e-03 -1.686351765e-02 -2.537184166e-02 4.92 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