# 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 = Pd3Pt # 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 3.983012115e+02 nan nan 1.16 3.679320129e+02 nan nan 1.18 3.399223509e+02 nan nan 1.20 3.140606222e+02 nan nan 1.22 2.901559068e+02 nan nan 1.24 2.680388099e+02 nan nan 1.26 2.475574265e+02 nan nan 1.28 2.285723908e+02 3.482829393e+02 3.966283971e+02 1.30 2.109564317e+02 3.238441596e+02 3.695291792e+02 1.32 1.945963587e+02 3.010909222e+02 3.442799586e+02 1.34 1.793921683e+02 2.798916054e+02 3.207385575e+02 1.36 1.652530929e+02 2.601276645e+02 2.987812442e+02 1.38 1.520949086e+02 2.416937431e+02 2.782955393e+02 1.40 1.398406711e+02 2.244970568e+02 2.591759347e+02 1.42 1.284226443e+02 2.084548064e+02 2.413236988e+02 1.44 1.177823747e+02 1.934895024e+02 2.246470548e+02 1.46 1.078683280e+02 1.795253347e+02 2.090600171e+02 1.48 9.863248706e+01 1.664880023e+02 1.944813043e+02 1.50 9.002755582e+01 1.543065735e+02 1.808346715e+02 1.52 8.200607398e+01 1.429147771e+02 1.680503905e+02 1.54 7.452174000e+01 1.322512375e+02 1.560664582e+02 1.56 6.753158094e+01 1.222597142e+02 1.448283027e+02 1.58 6.106422375e+01 1.128897404e+02 1.342871696e+02 1.60 5.514867510e+01 1.040968906e+02 1.243983390e+02 1.62 4.973628824e+01 9.584194252e+01 1.151197968e+02 1.64 4.478310624e+01 8.808926065e+01 1.064112630e+02 1.66 4.024947191e+01 8.080551644e+01 9.823364366e+01 1.68 3.609991537e+01 7.395948066e+01 9.054917120e+01 1.70 3.230295952e+01 6.752252081e+01 8.332208212e+01 1.72 2.883062336e+01 6.151498706e+01 7.651931434e+01 1.74 2.565768418e+01 5.598150308e+01 7.011089523e+01 1.76 2.276091992e+01 5.088651710e+01 6.408087923e+01 1.78 2.011853302e+01 4.619446950e+01 5.849042580e+01 1.80 1.770982501e+01 4.187206520e+01 5.332713947e+01 1.82 1.551509274e+01 3.788901805e+01 4.856148850e+01 1.84 1.351570064e+01 3.421852219e+01 4.416608098e+01 1.86 1.169427141e+01 3.083713479e+01 4.011452968e+01 1.88 1.003489534e+01 2.772414680e+01 3.638095843e+01 1.90 8.523250175e+00 2.486073769e+01 3.294022095e+01 1.92 7.146582416e+00 2.222923272e+01 2.976848718e+01 1.94 5.893577633e+00 1.981266415e+01 2.684376649e+01 1.96 4.754181769e+00 1.759466831e+01 2.414613157e+01 1.98 3.719421396e+00 1.555961363e+01 2.165764204e+01 2.00 2.781239648e+00 1.369280163e+01 1.936209734e+01 2.02 1.932343048e+00 1.198061505e+01 1.724476674e+01 2.04 1.166050958e+00 1.041056334e+01 1.529219313e+01 2.06 4.761479625e-01 8.971238984e+00 1.349209144e+01 2.08 -1.432493626e-01 7.652224099e+00 1.183330029e+01 2.10 -6.977921993e-01 6.443983039e+00 1.030572425e+01 2.12 -1.192945432e+00 5.337764692e+00 8.900224398e+00 2.14 -1.633968373e+00 4.325527456e+00 7.608453976e+00 2.16 -2.025839607e+00 3.399890076e+00 6.422671430e+00 2.18 -2.373159416e+00 2.554101875e+00 5.335579051e+00 2.20 -2.680073202e+00 1.782020158e+00 4.340224114e+00 2.22 -2.950251491e+00 1.078083722e+00 3.429969939e+00 2.24 -3.188060589e+00 4.372770720e-01 2.598515901e+00 2.26 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2.62 -4.021729294e+00 -4.225495076e+00 -4.100889717e+00 2.64 -3.959420058e+00 -4.254665941e+00 -4.179962952e+00 2.66 -3.892425165e+00 -4.274223662e+00 -4.242997001e+00 2.68 -3.821526691e+00 -4.284822151e+00 -4.290870271e+00 2.70 -3.747454988e+00 -4.287515519e+00 -4.324514618e+00 2.72 -3.670891113e+00 -4.283204463e+00 -4.344951236e+00 2.74 -3.592464381e+00 -4.271865627e+00 -4.353313263e+00 2.76 -3.512748849e+00 -4.253532566e+00 -4.350846090e+00 2.78 -3.432261669e+00 -4.228298554e+00 -4.339267404e+00 2.80 -3.351463300e+00 -4.196311785e+00 -4.320663565e+00 2.82 -3.270757299e+00 -4.157775342e+00 -4.295868984e+00 2.84 -3.190487794e+00 -4.112952233e+00 -4.265652157e+00 2.86 -3.110935125e+00 -4.062174991e+00 -4.230719055e+00 2.88 -3.032312498e+00 -4.005900117e+00 -4.191672056e+00 2.90 -2.954766843e+00 -3.944745704e+00 -4.148992566e+00 2.92 -2.878385487e+00 -3.879399045e+00 -4.103045063e+00 2.94 -2.803243831e+00 -3.810596127e+00 -4.054099066e+00 2.96 -2.729449204e+00 -3.739098839e+00 -4.002413924e+00 2.98 -2.657063020e+00 -3.665661640e+00 -3.948247474e+00 3.00 -2.586107561e+00 -3.590993305e+00 -3.891805794e+00 3.02 -2.516582146e+00 -3.515721131e+00 -3.833262997e+00 3.04 -2.448474290e+00 -3.440364518e+00 -3.772776379e+00 3.06 -2.381766897e+00 -3.365322339e+00 -3.710495142e+00 3.08 -2.316442650e+00 -3.290874783e+00 -3.646564502e+00 3.10 -2.252486514e+00 -3.217197075e+00 -3.581126853e+00 3.12 -2.189886969e+00 -3.144380349e+00 -3.514321357e+00 3.14 -2.128636324e+00 -3.072454746e+00 -3.446282948e+00 3.16 -2.068730262e+00 -3.001410832e+00 -3.377141448e+00 3.18 -2.010166768e+00 -2.931217183e+00 -3.307021268e+00 3.20 -1.952944540e+00 -2.861849226e+00 -3.236042004e+00 3.22 -1.897061105e+00 -2.793337178e+00 -3.164320124e+00 3.24 -1.842510871e+00 -2.725710719e+00 -3.091971791e+00 3.26 -1.789283368e+00 -2.658989495e+00 -3.019116736e+00 3.28 -1.737361930e+00 -2.593189302e+00 -2.945882880e+00 3.30 -1.686722981e+00 -2.528326045e+00 -2.872411155e+00 3.32 -1.637336031e+00 -2.464418147e+00 -2.798862316e+00 3.34 -1.589164392e+00 -2.401487780e+00 -2.725464982e+00 3.36 -1.542166507e+00 -2.339561183e+00 -2.652502955e+00 3.38 -1.496297734e+00 -2.278668238e+00 -2.580264892e+00 3.40 -1.451512343e+00 -2.218841462e+00 -2.509036205e+00 3.42 -1.407765458e+00 -2.160114615e+00 -2.439089334e+00 3.44 -1.365014710e+00 -2.102521084e+00 -2.370672138e+00 3.46 -1.323221356e+00 -2.046092236e+00 -2.303996431e+00 3.48 -1.282350825e+00 -1.990855871e+00 -2.239228699e+00 3.50 -1.242372608e+00 -1.936834878e+00 -2.176484596e+00 3.52 -1.203259622e+00 -1.884046148e+00 -2.115827953e+00 3.54 -1.164987185e+00 -1.832499749e+00 -2.057274035e+00 3.56 -1.127531801e+00 -1.782198365e+00 -2.000796114e+00 3.58 -1.090869970e+00 -1.733136958e+00 -1.946333886e+00 3.60 -1.054977181e+00 -1.685302635e+00 -1.893802356e+00 3.62 -1.019827261e+00 -1.638674702e+00 -1.843100069e+00 3.64 -9.853921558e-01 -1.593224893e+00 -1.794116042e+00 3.66 -9.516422329e-01 -1.548917780e+00 -1.746735157e+00 3.68 -9.185471073e-01 -1.505711370e+00 -1.700842134e+00 3.70 -8.860769899e-01 -1.463557904e+00 -1.656324349e+00 3.72 -8.542044949e-01 -1.422404855e+00 -1.613073854e+00 3.74 -8.229067962e-01 -1.382196095e+00 -1.570988895e+00 3.76 -7.921679544e-01 -1.342873224e+00 -1.529975153e+00 3.78 -7.619811635e-01 -1.304376971e+00 -1.489946821e+00 3.80 -7.323505943e-01 -1.266648613e+00 -1.450827539e+00 3.82 -7.032924694e-01 -1.229631318e+00 -1.412551139e+00 3.84 -6.748350109e-01 -1.193271363e+00 -1.375062110e+00 3.86 -6.470169917e-01 -1.157519150e+00 -1.338315713e+00 3.88 -6.198847947e-01 -1.122330032e+00 -1.302277684e+00 3.90 -5.934881305e-01 -1.087664960e+00 -1.266923515e+00 3.92 -5.678748385e-01 -1.053491007e+00 -1.232237351e+00 3.94 -5.430854193e-01 -1.019781857e+00 -1.198210615e+00 3.96 -5.191480460e-01 -9.865183101e-01 -1.164840425e+00 3.98 -4.960747660e-01 -9.536888833e-01 -1.132127978e+00 4.00 -4.738593845e-01 -9.212904915e-01 -1.100076970e+00 4.02 -4.524772384e-01 -8.893291707e-01 -1.068692170e+00 4.04 -4.318867596e-01 -8.578207252e-01 -1.037978190e+00 4.06 -4.120324901e-01 -8.267911372e-01 -1.007938492e+00 4.08 -3.928490826e-01 -7.962765422e-01 -9.785746321e-01 4.10 -3.742658030e-01 -7.663225814e-01 -9.498857291e-01 4.12 -3.562111179e-01 -7.369830114e-01 -9.218681234e-01 4.14 -3.386170527e-01 -7.083174649e-01 -8.945151964e-01 4.16 -3.214231101e-01 -6.803884998e-01 -8.678173103e-01 4.18 -3.045796146e-01 -6.532580627e-01 -8.417618357e-01 4.20 -2.880503895e-01 -6.269836787e-01 -8.163332355e-01 4.22 -2.718146840e-01 -6.016147159e-01 -7.915131829e-01 4.24 -2.558682490e-01 -5.771890891e-01 -7.672806950e-01 4.26 -2.402234709e-01 -5.537307185e-01 -7.436122698e-01 4.28 -2.249084636e-01 -5.312479676e-01 -7.204820199e-01 4.30 -2.099650759e-01 -5.097331570e-01 -6.978618018e-01 4.32 -1.954458520e-01 -4.891631169e-01 -6.757213428e-01 4.34 -1.814100982e-01 -4.695006279e-01 -6.540283711e-01 4.36 -1.679193398e-01 -4.506965182e-01 -6.327487600e-01 4.38 -1.550325757e-01 -4.326921531e-01 -6.118466985e-01 4.40 -1.428017693e-01 -4.154220607e-01 -5.912849043e-01 4.42 -1.312680601e-01 -3.988164855e-01 -5.710248985e-01 4.44 -1.204590372e-01 -3.828037237e-01 -5.510273621e-01 4.46 -1.103872963e-01 -3.673121602e-01 -5.312525987e-01 4.48 -1.010503086e-01 -3.522719924e-01 -5.116611242e-01 4.50 -9.243149693e-02 -3.376166647e-01 -4.922144065e-01 4.52 -8.450219867e-02 -3.232840694e-01 -4.728757676e-01 4.54 -7.722424043e-02 -3.092175797e-01 -4.536114809e-01 4.56 -7.055338121e-02 -2.953669750e-01 -4.343920003e-01 4.58 -6.444106073e-02 -2.816893057e-01 -4.151933835e-01 4.60 -5.883665517e-02 -2.681497226e-01 -3.959988051e-01 4.62 -5.369092214e-02 -2.547222676e-01 -3.768001159e-01 4.64 -4.895756415e-02 -2.413905961e-01 -3.575993520e-01 4.66 -4.459437350e-02 -2.281485734e-01 -3.384100701e-01 4.68 -4.056398327e-02 -2.150006691e-01 -3.192583720e-01 4.70 -3.683421905e-02 -2.019620598e-01 -3.001834687e-01 4.72 -3.337809236e-02 -1.890583531e-01 -2.812376469e-01 4.74 -3.017350599e-02 -1.763248614e-01 -2.624855262e-01 4.76 -2.720270785e-02 -1.638053840e-01 -2.440025475e-01 4.78 -2.445157519e-02 -1.515505010e-01 -2.258726974e-01 4.80 -2.190881315e-02 -1.396154290e-01 -2.081855474e-01 4.82 -1.956513148e-02 -1.280575495e-01 -1.910327688e-01 4.84 -1.741243062e-02 -1.169337430e-01 -1.745043424e-01 4.86 -1.544296363e-02 -1.062977265e-01 -1.586847316e-01 4.88 -1.364933714e-02 -9.619756801e-02 -1.436493018e-01 4.90 -1.202381465e-02 -8.667355275e-02 -1.294612487e-01 4.92 -1.055803225e-02 -7.775656173e-02 -1.161692567e-01 4.94 -9.242944768e-03 -6.946703902e-02 -1.038060305e-01 4.96 -8.068888453e-03 -6.181461327e-02 -9.238775984e-02 4.98 -7.025726755e-03 -5.479830589e-02 -8.191448636e-02 5.00 -6.103044953e-03 -4.840727176e-02 -7.237125926e-02 5.02 -5.290362991e-03 -4.262197530e-02 -6.372993092e-02 5.04 -4.577341953e-03 -3.741604281e-02 -5.595136291e-02 5.06 -3.953966990e-03 -3.275721154e-02 -4.898784723e-02 5.08 -3.410696548e-03 -2.860863878e-02 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-2.095917742e-03 -3.136132153e-03 5.46 -1.923461784e-04 -1.810700287e-03 -2.709343723e-03 5.48 -1.657257731e-04 -1.564897859e-03 -2.341534866e-03 5.50 -1.428628696e-04 -1.353025910e-03 -2.024499134e-03 5.52 -1.232188565e-04 -1.170357429e-03 -1.751163335e-03 5.54 -1.063330045e-04 -1.012821796e-03 -1.515435898e-03 5.56 -9.181122945e-05 -8.769159535e-04 -1.312075715e-03 5.58 -7.931644327e-05 -7.596267472e-04 -1.136573390e-03 5.60 -6.856027948e-05 -6.583633123e-04 -9.850518797e-04 5.62 -5.929600761e-05 -5.708983754e-04 -8.541782200e-04 5.64 -5.131247183e-05 -4.953174370e-04 -7.410874859e-04 5.66 -4.442890974e-05 -4.299748709e-04 -6.433171060e-04 5.68 -3.849052624e-05 -3.734560646e-04 -5.587502108e-04 5.70 -3.336471427e-05 -3.245448182e-04 -4.855668483e-04 5.72 -2.893782877e-05 -2.821953031e-04 -4.222020215e-04 5.74 -2.511243334e-05 -2.455079647e-04 -3.673096287e-04 5.76 -2.180495058e-05 -2.137088300e-04 -3.197314964e-04 5.78 -1.894365691e-05 -1.861317476e-04 -2.784708028e-04 5.80 -1.646697115e-05 -1.622031517e-04 -2.426692762e-04 5.82 -1.432199361e-05 -1.414289935e-04 -2.115876381e-04 5.84 -1.246325875e-05 -1.233835338e-04 -1.845888320e-04 5.86 -1.085166991e-05 -1.076997327e-04 -1.611236403e-04 5.88 -9.453589234e-06 -9.406100755e-05 -1.407183510e-04 5.90 -8.240059832e-06 -8.219416386e-05 -1.229641789e-04 5.92 -7.186140866e-06 -7.186333180e-05 -1.075081910e-04 5.94 -6.270338778e-06 -6.286476309e-05 -9.404552084e-05 5.96 -5.474120625e-06 -5.502236561e-05 -8.231268590e-05 5.98 -4.781497453e-06 -4.818386967e-05 -7.208185065e-05 6.00 -4.178667478e-06 -4.221753551e-05 -6.315589955e-05