# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd3 # 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 8.067701913e+02 nan nan 0.92 7.338724451e+02 nan nan 0.94 6.685072910e+02 nan nan 0.96 6.097972958e+02 nan nan 0.98 5.569784236e+02 8.104080966e+02 nan 1.00 5.093771875e+02 7.428394788e+02 8.390648754e+02 1.02 4.664077926e+02 6.817234766e+02 7.706126762e+02 1.04 4.275528190e+02 6.263678258e+02 7.085517696e+02 1.06 3.923590601e+02 5.761589479e+02 6.522144730e+02 1.08 3.604255137e+02 5.305491702e+02 6.010002504e+02 1.10 3.314033374e+02 4.890600945e+02 5.543850164e+02 1.12 3.049823489e+02 4.512642170e+02 5.118967115e+02 1.14 2.808912627e+02 4.167805241e+02 4.731186149e+02 1.16 2.588877668e+02 3.852754987e+02 4.376788684e+02 1.18 2.387599178e+02 3.564502700e+02 4.052447690e+02 1.20 2.203201435e+02 3.300380129e+02 3.755226636e+02 1.22 2.034007948e+02 3.058005460e+02 3.482486138e+02 1.24 1.878554770e+02 2.835296254e+02 3.231856479e+02 1.26 1.735537824e+02 2.630378779e+02 3.001262654e+02 1.28 1.603788505e+02 2.441578446e+02 2.788828104e+02 1.30 1.482261508e+02 2.267379619e+02 2.592858033e+02 1.32 1.370052763e+02 2.106471782e+02 2.411860272e+02 1.34 1.266337213e+02 1.957666587e+02 2.244491867e+02 1.36 1.170371131e+02 1.819894725e+02 2.089545300e+02 1.38 1.081489281e+02 1.692198502e+02 1.945923410e+02 1.40 9.991109776e+01 1.573708214e+02 1.812656361e+02 1.42 9.227016442e+01 1.463648426e+02 1.688876981e+02 1.44 8.517788489e+01 1.361336482e+02 1.573795210e+02 1.46 7.858997300e+01 1.266142142e+02 1.466698566e+02 1.48 7.246683354e+01 1.177497527e+02 1.366928944e+02 1.50 6.677369479e+01 1.094892629e+02 1.273908167e+02 1.52 6.147804118e+01 1.017862573e+02 1.187125966e+02 1.54 5.655005750e+01 9.459774441e+01 1.106102531e+02 1.56 5.196265986e+01 8.788483444e+01 1.030403546e+02 1.58 4.769085206e+01 8.161303210e+01 9.596378876e+01 1.60 4.371116200e+01 7.575159429e+01 8.934453167e+01 1.62 4.000375175e+01 7.027125446e+01 8.314886990e+01 1.64 3.654944339e+01 6.514504560e+01 7.734793635e+01 1.66 3.331413793e+01 6.034860118e+01 7.191424679e+01 1.68 3.031277512e+01 5.585937177e+01 6.682249704e+01 1.70 2.750617376e+01 5.165654907e+01 6.204927397e+01 1.72 2.490465333e+01 4.772087606e+01 5.757360615e+01 1.74 2.248605207e+01 4.403470976e+01 5.337582234e+01 1.76 2.023899155e+01 4.058164748e+01 4.943771735e+01 1.78 1.815283822e+01 3.734573628e+01 4.574157407e+01 1.80 1.621759962e+01 3.431336003e+01 4.227248740e+01 1.82 1.442388273e+01 3.145503864e+01 3.901644891e+01 1.84 1.276280689e+01 2.878132519e+01 3.596002450e+01 1.86 1.122606064e+01 2.628840992e+01 3.307436375e+01 1.88 9.805744857e+00 2.395732151e+01 3.036997376e+01 1.90 8.494401744e+00 2.177849850e+01 2.784109710e+01 1.92 7.285306478e+00 1.974333225e+01 2.547146946e+01 1.94 6.171856596e+00 1.784347852e+01 2.325206414e+01 1.96 5.147688655e+00 1.607108303e+01 2.117438108e+01 1.98 4.206876658e+00 1.441862896e+01 1.923038059e+01 2.00 3.344235934e+00 1.287926300e+01 1.741255495e+01 2.02 2.554974592e+00 1.144641586e+01 1.571241532e+01 2.04 1.834252369e+00 1.011387580e+01 1.412445370e+01 2.06 1.177507741e+00 8.875465723e+00 1.264255184e+01 2.08 5.803553165e-01 7.725462976e+00 1.126069263e+01 2.10 3.890402761e-02 6.659176830e+00 9.973178491e+00 2.12 -4.507654939e-01 5.671032830e+00 8.774571423e+00 2.14 -8.922564537e-01 4.756745557e+00 7.659851731e+00 2.16 -1.288965130e+00 3.912116037e+00 6.624202241e+00 2.18 -1.643681992e+00 3.132951602e+00 5.662896193e+00 2.20 -1.959054508e+00 2.415305827e+00 4.771736775e+00 2.22 -2.238708199e+00 1.755377711e+00 3.946665947e+00 2.24 -2.485319242e+00 1.149637004e+00 3.183806747e+00 2.26 -2.701412696e+00 5.947299087e-01 2.479485190e+00 2.28 -2.889779058e+00 8.754317565e-02 1.830194716e+00 2.30 -3.052197731e+00 -3.750661618e-01 1.232653772e+00 2.32 -3.190891840e+00 -7.960995730e-01 6.837442030e-01 2.34 -3.307917141e+00 -1.178081534e+00 1.805455919e-01 2.36 -3.404792603e+00 -1.523280169e+00 -2.797589508e-01 2.38 -3.483469516e+00 -1.834087967e+00 -7.003865855e-01 2.40 -3.545579585e+00 -2.112651517e+00 -1.083854559e+00 2.42 -3.592136174e+00 -2.361634084e+00 -1.432026287e+00 2.44 -3.624122413e+00 -2.583066388e+00 -1.746582464e+00 2.46 -3.643480134e+00 -2.778882359e+00 -2.029794414e+00 2.48 -3.651393236e+00 -2.950911335e+00 -2.284167019e+00 2.50 -3.648979462e+00 -3.100879158e+00 -2.511714674e+00 2.52 -3.637275537e+00 -3.230412957e+00 -2.714183685e+00 2.54 -3.617241846e+00 -3.341045698e+00 -2.893293958e+00 2.56 -3.589766934e+00 -3.434221090e+00 -3.050678076e+00 2.58 -3.555671816e+00 -3.511266617e+00 -3.187878198e+00 2.60 -3.515714113e+00 -3.573479036e+00 -3.306350168e+00 2.62 -3.470591996e+00 -3.621828572e+00 -3.407467432e+00 2.64 -3.420948445e+00 -3.657617790e+00 -3.492523726e+00 2.66 -3.367645473e+00 -3.681726334e+00 -3.563070308e+00 2.68 -3.311197528e+00 -3.695594329e+00 -3.620268207e+00 2.70 -3.251828749e+00 -3.699940557e+00 -3.664833072e+00 2.72 -3.189992356e+00 -3.695625993e+00 -3.697088229e+00 2.74 -3.126086673e+00 -3.683455876e+00 -3.718584846e+00 2.76 -3.060434994e+00 -3.664169990e+00 -3.730341862e+00 2.78 -2.991349402e+00 -3.639509557e+00 -3.733209358e+00 2.80 -2.921131549e+00 -3.609687018e+00 -3.727993010e+00 2.82 -2.850307361e+00 -3.574630868e+00 -3.715388682e+00 2.84 -2.779681248e+00 -3.534903637e+00 -3.696082457e+00 2.86 -2.709972483e+00 -3.491029150e+00 -3.670714770e+00 2.88 -2.640259183e+00 -3.443492780e+00 -3.639882839e+00 2.90 -2.570733086e+00 -3.392756469e+00 -3.604143004e+00 2.92 -2.501557994e+00 -3.339361259e+00 -3.564012957e+00 2.94 -2.432887082e+00 -3.283539236e+00 -3.519973913e+00 2.96 -2.365089755e+00 -3.225641673e+00 -3.472472666e+00 2.98 -2.298026791e+00 -3.165942835e+00 -3.421923585e+00 3.00 -2.231793463e+00 -3.104194110e+00 -3.368710477e+00 3.02 -2.166478242e+00 -3.040884864e+00 -3.313188440e+00 3.04 -2.102157957e+00 -2.975593526e+00 -3.255685280e+00 3.06 -2.038898598e+00 -2.909645377e+00 -3.196547330e+00 3.08 -1.976764050e+00 -2.843299260e+00 -3.137794854e+00 3.10 -1.915887201e+00 -2.776784238e+00 -3.076564973e+00 3.12 -1.856205166e+00 -2.710274148e+00 -3.013385003e+00 3.14 -1.797751344e+00 -2.643917197e+00 -2.949523760e+00 3.16 -1.740550963e+00 -2.577848521e+00 -2.885163784e+00 3.18 -1.684624856e+00 -2.512189369e+00 -2.820517648e+00 3.20 -1.629985425e+00 -2.447048322e+00 -2.755769661e+00 3.22 -1.576683074e+00 -2.382522294e+00 -2.691204754e+00 3.24 -1.524690904e+00 -2.318680006e+00 -2.626838296e+00 3.26 -1.474009245e+00 -2.256498993e+00 -2.562756736e+00 3.28 -1.424616030e+00 -2.195410880e+00 -2.499070093e+00 3.30 -1.376510314e+00 -2.135162482e+00 -2.435877279e+00 3.32 -1.329697540e+00 -2.075806761e+00 -2.373266915e+00 3.34 -1.284053236e+00 -2.017391036e+00 -2.311318156e+00 3.36 -1.239438137e+00 -1.959955883e+00 -2.250101320e+00 3.38 -1.195806752e+00 -1.903535802e+00 -2.189678607e+00 3.40 -1.153280110e+00 -1.848164025e+00 -2.130104713e+00 3.42 -1.111977675e+00 -1.793920382e+00 -2.071427208e+00 3.44 -1.071957892e+00 -1.740759210e+00 -2.013687642e+00 3.46 -1.033164617e+00 -1.688695892e+00 -1.956921219e+00 3.48 -9.955542233e-01 -1.637740589e+00 -1.901158067e+00 3.50 -9.590937570e-01 -1.587900331e+00 -1.846423224e+00 3.52 -9.237531479e-01 -1.539181323e+00 -1.792737011e+00 3.54 -8.894896577e-01 -1.491591422e+00 -1.740115874e+00 3.56 -8.562835735e-01 -1.445116815e+00 -1.688572177e+00 3.58 -8.241241910e-01 -1.399752856e+00 -1.638114597e+00 3.60 -7.930009150e-01 -1.355507055e+00 -1.588746792e+00 3.62 -7.628843749e-01 -1.312319967e+00 -1.540475719e+00 3.64 -7.336093021e-01 -1.270068608e+00 -1.493308956e+00 3.66 -7.051509773e-01 -1.228667591e+00 -1.447227564e+00 3.68 -6.776025272e-01 -1.188153818e+00 -1.402229494e+00 3.70 -6.510303399e-01 -1.148636456e+00 -1.358324819e+00 3.72 -6.254785460e-01 -1.110203330e+00 -1.315446369e+00 3.74 -6.009730055e-01 -1.072876162e+00 -1.273462203e+00 3.76 -5.775381188e-01 -1.036605723e+00 -1.232721392e+00 3.78 -5.552897066e-01 -1.001357903e+00 -1.193051691e+00 3.80 -5.341236856e-01 -9.671064634e-01 -1.154326521e+00 3.82 -5.137502906e-01 -9.338277215e-01 -1.116625261e+00 3.84 -4.939487744e-01 -9.014936234e-01 -1.079974582e+00 3.86 -4.745585974e-01 -8.700792177e-01 -1.044330097e+00 3.88 -4.554672338e-01 -8.395754597e-01 -1.009659556e+00 3.90 -4.366000621e-01 -8.099741590e-01 -9.759388686e-01 3.92 -4.179120205e-01 -7.812629889e-01 -9.431459805e-01 3.94 -3.993807472e-01 -7.533744429e-01 -9.112952019e-01 3.96 -3.810009756e-01 -7.262134202e-01 -8.803313520e-01 3.98 -3.627799807e-01 -6.997749290e-01 -8.502356028e-01 4.00 -3.447045467e-01 -6.741303085e-01 -8.210010867e-01 4.02 -3.267438119e-01 -6.493314584e-01 -7.926208525e-01 4.04 -3.090251563e-01 -6.254139869e-01 -7.650501433e-01 4.06 -2.916702705e-01 -6.023999184e-01 -7.382148012e-01 4.08 -2.747718463e-01 -5.803336110e-01 -7.120501028e-01 4.10 -2.583986569e-01 -5.592264046e-01 -6.866159951e-01 4.12 -2.425998383e-01 -5.390866961e-01 -6.619688706e-01 4.14 -2.274084862e-01 -5.197353518e-01 -6.381490760e-01 4.16 -2.128446727e-01 -5.009711086e-01 -6.151834652e-01 4.18 -1.989179721e-01 -4.826419442e-01 -5.930888615e-01 4.20 -1.856295682e-01 -4.646359631e-01 -5.719313497e-01 4.22 -1.729740093e-01 -4.468737158e-01 -5.516927720e-01 4.24 -1.609406645e-01 -4.293017497e-01 -5.323332325e-01 4.26 -1.495149285e-01 -4.118872121e-01 -5.136531159e-01 4.28 -1.386792142e-01 -3.946133538e-01 -4.954830280e-01 4.30 -1.284134812e-01 -3.774757994e-01 -4.776952254e-01 4.32 -1.186715090e-01 -3.604569282e-01 -4.601960011e-01 4.34 -1.103334576e-01 -3.435697182e-01 -4.429192379e-01 4.36 -1.028841969e-01 -3.268315675e-01 -4.258209765e-01 4.38 -9.584011326e-02 -3.102755358e-01 -4.088748526e-01 4.40 -8.917891080e-02 -2.940040010e-01 -3.920682783e-01 4.42 -8.288230180e-02 -2.780992784e-01 -3.753992626e-01 4.44 -7.693237405e-02 -2.626244919e-01 -3.588615706e-01 4.46 -7.131168870e-02 -2.476267405e-01 -3.424365289e-01 4.48 -6.600335222e-02 -2.331397969e-01 -3.261589314e-01 4.50 -6.099106820e-02 -2.191864035e-01 -3.100705314e-01 4.52 -5.625917076e-02 -2.057802227e-01 -2.942646403e-01 4.54 -5.179264491e-02 -1.929274903e-01 -2.788163569e-01 4.56 -4.757713633e-02 -1.806281486e-01 -2.637834711e-01 4.58 -4.359895128e-02 -1.688552489e-01 -2.492092609e-01 4.60 -3.984505029e-02 -1.582368903e-01 -2.351248901e-01 4.62 -3.630303632e-02 -1.487027565e-01 -2.215514549e-01 4.64 -3.296113884e-02 -1.395974699e-01 -2.085017303e-01 4.66 -2.980819501e-02 -1.309289053e-01 -1.959816571e-01 4.68 -2.683362854e-02 -1.226822139e-01 -1.839916029e-01 4.70 -2.402742698e-02 -1.148419366e-01 -1.725274314e-01 4.72 -2.138367738e-02 -1.073923204e-01 -1.615814064e-01 4.74 -1.891534979e-02 -1.003175036e-01 -1.511429534e-01 4.76 -1.749036353e-02 -9.360166634e-02 -1.411993006e-01 4.78 -1.618643368e-02 -8.722915176e-02 -1.317360136e-01 4.80 -1.495614461e-02 -8.118286719e-02 -1.227374439e-01 4.82 -1.379162903e-02 -7.549965694e-02 -1.141870978e-01 4.84 -1.268940404e-02 -7.013080591e-02 -1.060679444e-01 4.86 -1.164616869e-02 -6.504102248e-02 -9.836266677e-02 4.88 -1.065879476e-02 -6.021689065e-02 -9.105386668e-02 4.90 -9.724318055e-03 -5.564546636e-02 -8.412423037e-02 4.92 -8.839930030e-03 -5.131429101e-02 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-3.052730590e-03 -4.581102390e-03 5.30 -1.190762636e-05 -1.585246268e-03 -2.377923495e-03 5.32 -1.879169287e-06 -1.363109733e-03 -2.044672035e-03 5.34 0.000000000e+00 -1.192194653e-03 -1.788291980e-03 5.36 0.000000000e+00 -1.040686191e-03 -1.561029287e-03 5.38 0.000000000e+00 -8.986328668e-04 -1.347949300e-03 5.40 0.000000000e+00 -7.654592712e-04 -1.148188907e-03 5.42 0.000000000e+00 -6.406240490e-04 -9.609360735e-04 5.44 0.000000000e+00 -5.236179336e-04 -7.854269004e-04 5.46 0.000000000e+00 -4.139619029e-04 -6.209428543e-04 5.48 0.000000000e+00 -3.112054439e-04 -4.668081658e-04 5.50 0.000000000e+00 -2.149249150e-04 -3.223873725e-04 5.52 0.000000000e+00 -1.247219770e-04 -1.870829654e-04 5.54 0.000000000e+00 -3.968152535e-05 -5.952228803e-05 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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