# 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 = CoTi3 # 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 2.659809067e+02 nan nan 1.16 2.440296762e+02 nan nan 1.18 2.239124056e+02 nan nan 1.20 2.054637500e+02 nan nan 1.22 1.885350672e+02 nan nan 1.24 1.729929825e+02 nan nan 1.26 1.587171247e+02 nan nan 1.28 1.455977124e+02 2.292198226e+02 2.641703565e+02 1.30 1.335347560e+02 2.117684158e+02 2.445779417e+02 1.32 1.224380181e+02 1.956511033e+02 2.264545392e+02 1.34 1.122264149e+02 1.807568811e+02 2.096808407e+02 1.36 1.028270464e+02 1.669843816e+02 1.941481638e+02 1.38 9.417398038e+01 1.542423674e+02 1.797577303e+02 1.40 8.620692546e+01 1.424486673e+02 1.664199399e+02 1.42 7.887033823e+01 1.315286239e+02 1.540534067e+02 1.44 7.211306637e+01 1.214142056e+02 1.425840043e+02 1.46 6.588799513e+01 1.120437024e+02 1.319439793e+02 1.48 6.015152743e+01 1.033611673e+02 1.220710006e+02 1.50 5.486341117e+01 9.531539886e+01 1.129073098e+02 1.52 4.998709627e+01 8.785890318e+01 1.043993865e+02 1.54 4.548993963e+01 8.094731187e+01 9.649811857e+01 1.56 4.134267075e+01 7.453938722e+01 8.915882527e+01 1.58 3.751845385e+01 6.859721905e+01 8.234066058e+01 1.60 3.399225446e+01 6.308615850e+01 7.600573606e+01 1.62 3.074076588e+01 5.797448618e+01 7.011858586e+01 1.64 2.774257800e+01 5.323300536e+01 6.464618516e+01 1.66 2.497825452e+01 4.883460489e+01 5.955819825e+01 1.68 2.243052109e+01 4.475386336e+01 5.482698876e+01 1.70 2.008353070e+01 4.096689187e+01 5.042730835e+01 1.72 1.792198661e+01 3.745148052e+01 4.633591202e+01 1.74 1.593139539e+01 3.418734061e+01 4.253125342e+01 1.76 1.409845626e+01 3.115615041e+01 3.899327831e+01 1.78 1.241111511e+01 2.834134072e+01 3.570331748e+01 1.80 1.085848242e+01 2.572779823e+01 3.264403862e+01 1.82 9.430625679e+00 2.330198630e+01 2.979935851e+01 1.84 8.118328560e+00 2.105166994e+01 2.715429511e+01 1.86 6.912911526e+00 1.896561704e+01 2.469488432e+01 1.88 5.806160355e+00 1.703281098e+01 2.240851538e+01 1.90 4.790351901e+00 1.524281090e+01 2.028356768e+01 1.92 3.858329947e+00 1.358566345e+01 1.830905242e+01 1.94 3.003572605e+00 1.205185713e+01 1.647444508e+01 1.96 2.220206009e+00 1.063237927e+01 1.477000269e+01 1.98 1.502955046e+00 9.318828298e+00 1.318675470e+01 2.00 8.470495937e-01 8.103488050e+00 1.171648679e+01 2.02 2.481139170e-01 6.979305675e+00 1.035167814e+01 2.04 -2.979331450e-01 5.939797609e+00 9.085405665e+00 2.06 -7.949501197e-01 4.978956207e+00 7.911257991e+00 2.08 -1.246612091e+00 4.091209410e+00 6.823282044e+00 2.10 -1.656427101e+00 3.271428428e+00 5.815944745e+00 2.12 -2.027741720e+00 2.514937504e+00 4.884081427e+00 2.14 -2.363735847e+00 1.817488205e+00 4.022815035e+00 2.16 -2.667398573e+00 1.175197669e+00 3.227458847e+00 2.18 -2.941484592e+00 5.844716126e-01 2.493439091e+00 2.20 -3.188470902e+00 4.193163490e-02 1.816277930e+00 2.22 -3.410537591e+00 -4.556456471e-01 1.191657602e+00 2.24 -3.609585432e+00 -9.113710323e-01 6.155346184e-01 2.26 -3.787282056e+00 -1.328259836e+00 8.424407366e-02 2.28 -3.945117331e+00 -1.709220695e+00 -4.054622736e-01 2.30 -4.084451000e+00 -2.057021271e+00 -8.564523437e-01 2.32 -4.206546725e+00 -2.374247694e+00 -1.271294404e+00 2.34 -4.312593912e+00 -2.663268731e+00 -1.652339870e+00 2.36 -4.403721295e+00 -2.926218326e+00 -2.001782737e+00 2.38 -4.481006132e+00 -3.165000315e+00 -2.321689548e+00 2.40 -4.545481398e+00 -3.381315389e+00 -2.614005589e+00 2.42 -4.598141970e+00 -3.576701715e+00 -2.880551169e+00 2.44 -4.639950217e+00 -3.752576530e+00 -3.123018701e+00 2.46 -4.671843180e+00 -3.910270092e+00 -3.342977922e+00 2.48 -4.694890283e+00 -4.051047402e+00 -3.541889600e+00 2.50 -4.709893688e+00 -4.176118258e+00 -3.721124753e+00 2.52 -4.717533324e+00 -4.286638158e+00 -3.881984778e+00 2.54 -4.718400056e+00 -4.383703701e+00 -4.025721334e+00 2.56 -4.713061527e+00 -4.468346234e+00 -4.153552054e+00 2.58 -4.702061458e+00 -4.541526448e+00 -4.266668222e+00 2.60 -4.685909884e+00 -4.604130875e+00 -4.366229861e+00 2.62 -4.665050447e+00 -4.656970131e+00 -4.453347329e+00 2.64 -4.639609567e+00 -4.700779644e+00 -4.529055670e+00 2.66 -4.609569811e+00 -4.736222574e+00 -4.594290676e+00 2.68 -4.574924109e+00 -4.763922368e+00 -4.649878163e+00 2.70 -4.535705335e+00 -4.784521462e+00 -4.696538083e+00 2.72 -4.492010611e+00 -4.798470957e+00 -4.734900645e+00 2.74 -4.443992833e+00 -4.806141884e+00 -4.765527671e+00 2.76 -4.391851907e+00 -4.807849723e+00 -4.788942389e+00 2.78 -4.335824962e+00 -4.803893056e+00 -4.805773733e+00 2.80 -4.276176456e+00 -4.794582052e+00 -4.816425841e+00 2.82 -4.213189041e+00 -4.780233889e+00 -4.821251768e+00 2.84 -4.147157312e+00 -4.761166586e+00 -4.820578460e+00 2.86 -4.078383335e+00 -4.737586460e+00 -4.814766490e+00 2.88 -4.007173146e+00 -4.709565678e+00 -4.804205656e+00 2.90 -3.933831082e+00 -4.677145895e+00 -4.789300641e+00 2.92 -3.858652881e+00 -4.640380325e+00 -4.770453503e+00 2.94 -3.781917666e+00 -4.599364498e+00 -4.747990047e+00 2.96 -3.703881223e+00 -4.554260184e+00 -4.721978867e+00 2.98 -3.624774334e+00 -4.505290611e+00 -4.692445360e+00 3.00 -3.544806893e+00 -4.452736324e+00 -4.659404497e+00 3.02 -3.464177651e+00 -4.396928711e+00 -4.622879289e+00 3.04 -3.383087027e+00 -4.338237590e+00 -4.582918506e+00 3.06 -3.301749186e+00 -4.277052042e+00 -4.539593817e+00 3.08 -3.220399383e+00 -4.213755243e+00 -4.492997593e+00 3.10 -3.139293505e+00 -4.148700754e+00 -4.443240561e+00 3.12 -3.058698920e+00 -4.082194501e+00 -4.390449042e+00 3.14 -2.978878591e+00 -4.014487413e+00 -4.334761979e+00 3.16 -2.900072900e+00 -3.945776951e+00 -4.276328189e+00 3.18 -2.822484313e+00 -3.876216823e+00 -4.215304393e+00 3.20 -2.746268624e+00 -3.805929045e+00 -4.151854509e+00 3.22 -2.671533681e+00 -3.735015682e+00 -4.086150853e+00 3.24 -2.598343981e+00 -3.663568135e+00 -4.018376839e+00 3.26 -2.526728415e+00 -3.591673330e+00 -3.948731697e+00 3.28 -2.456688758e+00 -3.519417089e+00 -3.877435703e+00 3.30 -2.388207544e+00 -3.446885386e+00 -3.804734641e+00 3.32 -2.321254866e+00 -3.374164282e+00 -3.730901413e+00 3.34 -2.255793993e+00 -3.301339254e+00 -3.656232858e+00 3.36 -2.191786202e+00 -3.228494512e+00 -3.581040723e+00 3.38 -2.129193763e+00 -3.155712742e+00 -3.505637416e+00 3.40 -2.067982460e+00 -3.083075554e+00 -3.430319053e+00 3.42 -2.008122550e+00 -3.010664986e+00 -3.355349484e+00 3.44 -1.949589159e+00 -2.938565479e+00 -3.280948860e+00 3.46 -1.892361439e+00 -2.866866822e+00 -3.207288775e+00 3.48 -1.836422001e+00 -2.795666934e+00 -3.134493932e+00 3.50 -1.781755863e+00 -2.725073938e+00 -3.062648411e+00 3.52 -1.728349943e+00 -2.655206562e+00 -2.991805003e+00 3.54 -1.676191956e+00 -2.586192086e+00 -2.921992866e+00 3.56 -1.625270348e+00 -2.518161502e+00 -2.853225605e+00 3.58 -1.575573958e+00 -2.451242293e+00 -2.785506574e+00 3.60 -1.527091886e+00 -2.385550039e+00 -2.718832674e+00 3.62 -1.479813382e+00 -2.321180563e+00 -2.653196892e+00 3.64 -1.433727720e+00 -2.258204294e+00 -2.588590026e+00 3.66 -1.388824036e+00 -2.196663900e+00 -2.525001906e+00 3.68 -1.345091098e+00 -2.136575379e+00 -2.462422312e+00 3.70 -1.302517076e+00 -2.077931934e+00 -2.400841668e+00 3.72 -1.261089286e+00 -2.020709481e+00 -2.340251541e+00 3.74 -1.220793987e+00 -1.964872617e+00 -2.280644957e+00 3.76 -1.181616222e+00 -1.910380063e+00 -2.222016529e+00 3.78 -1.143539721e+00 -1.857189051e+00 -2.164362412e+00 3.80 -1.106546884e+00 -1.805258435e+00 -2.107680106e+00 3.82 -1.070618821e+00 -1.754550579e+00 -2.051968148e+00 3.84 -1.035735443e+00 -1.705032231e+00 -1.997225746e+00 3.86 -1.001875591e+00 -1.656674636e+00 -1.943452430e+00 3.88 -9.690171848e-01 -1.609453140e+00 -1.890647793e+00 3.90 -9.371373729e-01 -1.563346500e+00 -1.838811386e+00 3.92 -9.062126183e-01 -1.518336004e+00 -1.787942736e+00 3.94 -8.762190554e-01 -1.474404926e+00 -1.738042110e+00 3.96 -8.471322117e-01 -1.431537351e+00 -1.689110440e+00 3.98 -8.189273348e-01 -1.389717855e+00 -1.641150550e+00 4.00 -7.915793578e-01 -1.348930933e+00 -1.594167847e+00 4.02 -7.650629098e-01 -1.309160660e+00 -1.548171061e+00 4.04 -7.393523085e-01 -1.270390483e+00 -1.503172681e+00 4.06 -7.144215422e-01 -1.232603140e+00 -1.459188906e+00 4.08 -6.902442519e-01 -1.195780694e+00 -1.416238951e+00 4.10 -6.667937226e-01 -1.159904479e+00 -1.374343651e+00 4.12 -6.440428947e-01 -1.124956122e+00 -1.333523456e+00 4.14 -6.219644067e-01 -1.090916576e+00 -1.293796057e+00 4.16 -6.005306818e-01 -1.057767353e+00 -1.255174009e+00 4.18 -5.797140704e-01 -1.025490645e+00 -1.217662737e+00 4.20 -5.594869178e-01 -9.940696551e-01 -1.181259245e+00 4.22 -5.398224462e-01 -9.634888505e-01 -1.145951697e+00 4.24 -5.206941902e-01 -9.337340844e-01 -1.111719872e+00 4.26 -5.020771055e-01 -9.047925388e-01 -1.078536318e+00 4.28 -4.839479094e-01 -8.766524677e-01 -1.046367968e+00 4.30 -4.662856260e-01 -8.493027493e-01 -1.015177931e+00 4.32 -4.490721101e-01 -8.227323000e-01 -9.849272455e-01 4.34 -4.322924759e-01 -7.969294315e-01 -9.555764104e-01 4.36 -4.159353168e-01 -7.718812569e-01 -9.270866226e-01 4.38 -3.999928111e-01 -7.475732353e-01 -8.994206798e-01 4.40 -3.844601908e-01 -7.239889217e-01 -8.725435695e-01 4.42 -3.693351872e-01 -7.011099400e-01 -8.464227819e-01 4.44 -3.546170093e-01 -6.789161539e-01 -8.210283986e-01 4.46 -3.403051738e-01 -6.573859787e-01 -7.963330097e-01 4.48 -3.263983262e-01 -6.364967649e-01 -7.723115106e-01 4.50 -3.128932557e-01 -6.162251856e-01 -7.489408228e-01 4.52 -2.997842868e-01 -5.965475796e-01 -7.261993468e-01 4.54 -2.870631753e-01 -5.774402221e-01 -7.040675951e-01 4.56 -2.747195446e-01 -5.588795141e-01 -6.825263804e-01 4.58 -2.627418033e-01 -5.408421003e-01 -6.615575973e-01 4.60 -2.511184030e-01 -5.233049311e-01 -6.411437190e-01 4.62 -2.398392380e-01 -5.062452912e-01 -6.212676284e-01 4.64 -2.288969689e-01 -4.896408184e-01 -6.019125101e-01 4.66 -2.182880583e-01 -4.734695330e-01 -5.830618057e-01 4.68 -2.080133464e-01 -4.577098963e-01 -5.646992340e-01 4.70 -1.980780517e-01 -4.423409157e-01 -5.468088741e-01 4.72 -1.884911601e-01 -4.273423071e-01 -5.293753121e-01 4.74 -1.792642556e-01 -4.126947253e-01 -5.123838443e-01 4.76 -1.704099280e-01 -3.983800666e-01 -4.958207321e-01 4.78 -1.619399666e-01 -3.843818413e-01 -4.796734947e-01 4.80 -1.538635826e-01 -3.706854878e-01 -4.639312206e-01 4.82 -1.461858959e-01 -3.572793538e-01 -4.485848732e-01 4.84 -1.389068730e-01 -3.441543948e-01 -4.336275535e-01 4.86 -1.320208204e-01 -3.313051839e-01 -4.190546820e-01 4.88 -1.255164469e-01 -3.187301398e-01 -4.048640555e-01 4.90 -1.193774258e-01 -3.064317547e-01 -3.910557422e-01 4.92 -1.135833302e-01 -2.944166158e-01 -3.776317878e-01 4.94 -1.081107944e-01 -2.826951699e-01 -3.645957279e-01 4.96 -1.029347549e-01 -2.712811991e-01 -3.519519294e-01 4.98 -9.802965456e-02 -2.601910058e-01 -3.397048095e-01 5.00 -9.337052439e-02 -2.494423421e-01 -3.278580081e-01 5.02 -8.893389325e-02 -2.390531548e-01 -3.164135994e-01 5.04 -8.469850215e-02 -2.290402495e-01 -3.053714284e-01 5.06 -8.064581813e-02 -2.194179951e-01 -2.947286378e-01 5.08 -7.676035262e-02 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-3.011521711e-02 -1.016804862e-01 -1.501413898e-01 5.46 -2.862649469e-02 -9.761820524e-02 -1.443843803e-01 5.48 -2.721088723e-02 -9.364049099e-02 -1.387057574e-01 5.50 -2.586002043e-02 -8.973479378e-02 -1.330937389e-01 5.52 -2.456600679e-02 -8.588990573e-02 -1.275375889e-01 5.54 -2.332149524e-02 -8.209603415e-02 -1.220277720e-01 5.56 -2.211992026e-02 -7.834490624e-02 -1.165564770e-01 5.58 -2.095556958e-02 -7.462990204e-02 -1.111175026e-01 5.60 -1.982359395e-02 -7.094620947e-02 -1.057068617e-01 5.62 -1.872005114e-02 -6.729098913e-02 -1.003230335e-01 5.64 -1.764193483e-02 -6.366353302e-02 -9.496727155e-02 5.66 -1.658718764e-02 -6.006539685e-02 -8.964386371e-02 5.68 -1.555469553e-02 -5.650048270e-02 -8.436031117e-02 5.70 -1.454425964e-02 -5.297504752e-02 -7.912738864e-02 5.72 -1.355654149e-02 -4.949761458e-02 -7.395905310e-02 5.74 -1.259297809e-02 -4.607876984e-02 -6.887217454e-02 5.76 -1.165566546e-02 -4.273083363e-02 -6.388607532e-02 5.78 -1.074721176e-02 -3.946725954e-02 -5.902188318e-02 5.80 -9.870565096e-03 -3.630232617e-02 -5.430172011e-02 5.82 -9.028824002e-03 -3.325055424e-02 -4.974777722e-02 5.84 -8.225042219e-03 -3.032589278e-02 -4.538133769e-02 5.86 -7.462040683e-03 -2.754107286e-02 -4.122182135e-02 5.88 -6.742240021e-03 -2.490702905e-02 -3.728592714e-02 5.90 -6.067525092e-03 -2.243243315e-02 -3.358693969e-02 5.92 -5.439149949e-03 -2.012328249e-02 -3.013408556e-02 5.94 -4.857687370e-03 -1.798270405e-02 -2.693222825e-02 5.96 -4.323022598e-03 -1.601145253e-02 -2.398278150e-02 5.98 -3.834386852e-03 -1.420766122e-02 -2.128320018e-02 6.00 -3.390423078e-03 -1.256708457e-02 -1.882722741e-02