# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Co # implementation = 2018--Jeong-G-U--Pd-Co--LAMMPS--ipr1 # composition = CoPd3 # 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 2.383786946e+03 nan nan 0.86 2.189853673e+03 nan nan 0.88 2.011198895e+03 nan nan 0.90 1.846648339e+03 nan nan 0.92 1.695116031e+03 2.041359859e+03 nan 0.94 1.555597795e+03 1.888237028e+03 2.320910532e+03 0.96 1.427165218e+03 1.746233438e+03 2.152989349e+03 0.98 1.308960052e+03 1.614559847e+03 1.996789661e+03 1.00 1.200189020e+03 1.492482011e+03 1.851515295e+03 1.02 1.100119002e+03 1.379316915e+03 1.716422900e+03 1.04 1.008072567e+03 1.274429257e+03 1.590818518e+03 1.06 9.234238302e+02 1.177228165e+03 1.474054373e+03 1.08 8.455946176e+02 1.087164147e+03 1.365525864e+03 1.10 7.740509005e+02 1.003726237e+03 1.264668751e+03 1.12 7.082995002e+02 9.264393406e+02 1.170956518e+03 1.14 6.478850272e+02 8.548617582e+02 1.083897910e+03 1.16 5.923870497e+02 7.885828770e+02 1.003034620e+03 1.18 5.414174660e+02 7.272210206e+02 9.279391286e+02 1.20 4.946180735e+02 6.704214446e+02 8.582126849e+02 1.22 4.516583141e+02 6.178544689e+02 7.934834107e+02 1.24 4.122331886e+02 5.692137374e+02 7.334045320e+02 1.26 3.760613226e+02 5.242145971e+02 6.776527219e+02 1.28 3.428831781e+02 4.825925871e+02 6.259265520e+02 1.30 3.124593954e+02 4.441020324e+02 5.779450425e+02 1.32 2.845692607e+02 4.085147333e+02 5.334463075e+02 1.34 2.590092851e+02 3.756187445e+02 4.921862870e+02 1.36 2.355918916e+02 3.452172389e+02 4.539375626e+02 1.38 2.141441989e+02 3.171274490e+02 4.184882486e+02 1.40 1.945068970e+02 2.911796814e+02 3.856409566e+02 1.42 1.765332057e+02 2.672163995e+02 3.552118273e+02 1.44 1.600879132e+02 2.450913688e+02 3.270296252e+02 1.46 1.450464850e+02 2.246688619e+02 3.009348931e+02 1.48 1.312942414e+02 2.058229184e+02 2.767791612e+02 1.50 1.187255957e+02 1.884366560e+02 2.544242092e+02 1.52 1.072433512e+02 1.724016292e+02 2.337413757e+02 1.54 9.675805078e+01 1.576172327e+02 2.146109142e+02 1.56 8.718737534e+01 1.439901464e+02 1.969213903e+02 1.58 7.845558893e+01 1.314338187e+02 1.805691201e+02 1.60 7.049302524e+01 1.198679860e+02 1.654576444e+02 1.62 6.323561372e+01 1.092182254e+02 1.514972387e+02 1.64 5.662444149e+01 9.941553963e+01 1.386044549e+02 1.66 5.060534917e+01 9.039596935e+01 1.267016943e+02 1.68 4.512855719e+01 8.210023414e+01 1.157168083e+02 1.70 4.014832126e+01 7.447339774e+01 1.055827260e+02 1.72 3.562261390e+01 6.746455714e+01 9.623710637e+01 1.74 3.151283088e+01 6.102655338e+01 8.762201433e+01 1.76 2.778351990e+01 5.511570275e+01 7.968361766e+01 1.78 2.440213071e+01 4.969154689e+01 7.237190483e+01 1.80 2.133878410e+01 4.471662055e+01 6.564042155e+01 1.82 1.856605926e+01 4.015623565e+01 5.944602502e+01 1.84 1.605879728e+01 3.597828077e+01 5.374865486e+01 1.86 1.379392028e+01 3.215303467e+01 4.851111933e+01 1.88 1.175026438e+01 2.865299309e+01 4.369889617e+01 1.90 9.908425968e+00 2.545270789e+01 3.927994676e+01 1.92 8.250619809e+00 2.252863755e+01 3.522454299e+01 1.94 6.760548438e+00 1.985900831e+01 3.150510588e+01 1.96 5.423281717e+00 1.742368526e+01 2.809605508e+01 1.98 4.225145973e+00 1.520405261e+01 2.497366877e+01 2.00 3.153621814e+00 1.318290245e+01 2.211595302e+01 2.02 2.197250083e+00 1.134433154e+01 1.950252011e+01 2.04 1.345545234e+00 9.673645511e+00 1.711447520e+01 2.06 5.889156092e-01 8.157269853e+00 1.493431078e+01 2.08 -8.140994255e-02 6.782667380e+00 1.294580832e+01 2.10 -6.734496008e-01 5.538261598e+00 1.113394679e+01 2.12 -1.194530694e+00 4.413365602e+00 9.484817386e+00 2.14 -1.651346860e+00 3.398116114e+00 7.985544245e+00 2.16 -2.050010600e+00 2.483412275e+00 6.624210568e+00 2.18 -2.396101620e+00 1.660858884e+00 5.389789926e+00 2.20 -2.694711255e+00 9.227137454e-01 4.272082310e+00 2.22 -2.950483326e+00 2.618388385e-01 3.261654647e+00 2.24 -3.167651657e+00 -3.283449506e-01 2.349785462e+00 2.26 -3.350074577e+00 -8.538998055e-01 1.528413405e+00 2.28 -3.501266586e+00 -1.320409891e+00 7.900893896e-01 2.30 -3.624427460e+00 -1.733017414e+00 1.279320874e-01 2.32 -3.722468957e+00 -2.096456050e+00 -4.644134498e-01 2.34 -3.798039350e+00 -2.415081910e+00 -9.928142495e-01 2.36 -3.853545928e+00 -2.692902236e+00 -1.462685163e+00 2.38 -3.891175662e+00 -2.933601977e+00 -1.879022083e+00 2.40 -3.912914139e+00 -3.140568415e+00 -2.246432800e+00 2.42 -3.920562957e+00 -3.316913953e+00 -2.569165677e+00 2.44 -3.915755652e+00 -3.465497233e+00 -2.851136267e+00 2.46 -3.899972312e+00 -3.588942678e+00 -3.095952049e+00 2.48 -3.874552967e+00 -3.689658576e+00 -3.306935377e+00 2.50 -3.840709860e+00 -3.769853830e+00 -3.487144796e+00 2.52 -3.799538687e+00 -3.831553443e+00 -3.639394824e+00 2.54 -3.752028889e+00 -3.876612854e+00 -3.766274303e+00 2.56 -3.699073081e+00 -3.906731193e+00 -3.870163436e+00 2.58 -3.641475679e+00 -3.923463545e+00 -3.953249583e+00 2.60 -3.579960793e+00 -3.928232286e+00 -4.017541910e+00 2.62 -3.515179452e+00 -3.922337563e+00 -4.064884985e+00 2.64 -3.447716210e+00 -3.906966985e+00 -4.096971367e+00 2.66 -3.378095184e+00 -3.883204573e+00 -4.115353286e+00 2.68 -3.306785575e+00 -3.852039038e+00 -4.121453461e+00 2.70 -3.234206716e+00 -3.814371414e+00 -4.116575130e+00 2.72 -3.160732675e+00 -3.771022126e+00 -4.101911334e+00 2.74 -3.086696467e+00 -3.722737496e+00 -4.078553519e+00 2.76 -3.012393890e+00 -3.670195769e+00 -4.047499502e+00 2.78 -2.938087039e+00 -3.614012655e+00 -4.009660840e+00 2.80 -2.864007494e+00 -3.554746462e+00 -3.965869657e+00 2.82 -2.790359243e+00 -3.492902816e+00 -3.916884955e+00 2.84 -2.717321335e+00 -3.428939021e+00 -3.863398456e+00 2.86 -2.645050305e+00 -3.363268077e+00 -3.806040002e+00 2.88 -2.573682379e+00 -3.296262387e+00 -3.745382550e+00 2.90 -2.503335480e+00 -3.228257169e+00 -3.681946787e+00 2.92 -2.434111060e+00 -3.159553598e+00 -3.616205395e+00 2.94 -2.366095756e+00 -3.090421707e+00 -3.548586994e+00 2.96 -2.299362905e+00 -3.021103051e+00 -3.479479775e+00 2.98 -2.233973914e+00 -2.951813158e+00 -3.409234866e+00 3.00 -2.169979510e+00 -2.882743794e+00 -3.338169428e+00 3.02 -2.107420866e+00 -2.814065034e+00 -3.266569516e+00 3.04 -2.046330632e+00 -2.745927171e+00 -3.194692718e+00 3.06 -1.986733856e+00 -2.678462474e+00 -3.122770583e+00 3.08 -1.928648835e+00 -2.611786798e+00 -3.051010867e+00 3.10 -1.872087867e+00 -2.546001066e+00 -2.979599587e+00 3.12 -1.817057943e+00 -2.481192623e+00 -2.908706396e+00 3.14 -1.763561361e+00 -2.417436488e+00 -2.838858160e+00 3.16 -1.711596289e+00 -2.354796491e+00 -2.771837211e+00 3.18 -1.661157262e+00 -2.293326326e+00 -2.707215901e+00 3.20 -1.612235633e+00 -2.233070506e+00 -2.639577558e+00 3.22 -1.564819972e+00 -2.174065244e+00 -2.572971284e+00 3.24 -1.518896425e+00 -2.116339252e+00 -2.507554249e+00 3.26 -1.474449028e+00 -2.059914479e+00 -2.443395269e+00 3.28 -1.431459988e+00 -2.004806781e+00 -2.380553871e+00 3.30 -1.389909921e+00 -1.951026531e+00 -2.319081149e+00 3.32 -1.349778065e+00 -1.898579178e+00 -2.259020544e+00 3.34 -1.311042460e+00 -1.847465756e+00 -2.200408549e+00 3.36 -1.273680090e+00 -1.797683346e+00 -2.143275346e+00 3.38 -1.237667009e+00 -1.749225495e+00 -2.087645369e+00 3.40 -1.202978431e+00 -1.702082601e+00 -2.033537807e+00 3.42 -1.169588793e+00 -1.656242256e+00 -1.980967050e+00 3.44 -1.137471796e+00 -1.611689564e+00 -1.929943070e+00 3.46 -1.106600418e+00 -1.568407419e+00 -1.880471745e+00 3.48 -1.076946899e+00 -1.526376764e+00 -1.832555136e+00 3.50 -1.048482700e+00 -1.485576825e+00 -1.786191696e+00 3.52 -1.021178440e+00 -1.445985312e+00 -1.741376438e+00 3.54 -9.950038040e-01 -1.407578614e+00 -1.698101045e+00 3.56 -9.699274238e-01 -1.370331961e+00 -1.656353921e+00 3.58 -9.459167386e-01 -1.334219577e+00 -1.616120201e+00 3.60 -9.228993389e-01 -1.299214819e+00 -1.577381706e+00 3.62 -8.938734880e-01 -1.265290290e+00 -1.540116843e+00 3.64 -8.207804395e-01 -1.232417958e+00 -1.504300462e+00 3.66 -6.912350376e-01 -1.200569248e+00 -1.469903675e+00 3.68 -6.529618419e-01 -1.169715132e+00 -1.436893628e+00 3.70 -6.387566093e-01 -1.139826212e+00 -1.405233246e+00 3.72 -6.253900988e-01 -1.110872792e+00 -1.374880963e+00 3.74 -6.128130707e-01 -1.082824949e+00 -1.345790444e+00 3.76 -6.009711200e-01 -1.055652596e+00 -1.317910319e+00 3.78 -5.898043124e-01 -1.029325546e+00 -1.291183963e+00 3.80 -5.792469743e-01 -1.003813573e+00 -1.265549330e+00 3.82 -5.692277056e-01 -9.790869102e-01 -1.240938898e+00 3.84 -5.596696937e-01 -9.551594959e-01 -1.217279740e+00 3.86 -5.504914073e-01 -9.321273278e-01 -1.194493781e+00 3.88 -5.416077376e-01 -9.091882496e-01 -1.172498262e+00 3.90 -5.329316358e-01 -8.861316317e-01 -1.151206475e+00 3.92 -5.243762526e-01 -8.650980869e-01 -1.130528775e+00 3.94 -5.158548714e-01 -8.446330687e-01 -1.110373910e+00 3.96 -5.050808772e-01 -8.247097553e-01 -1.090650663e+00 3.98 -4.742335074e-01 -8.053021129e-01 -1.071269787e+00 4.00 -3.661919842e-01 -7.863849883e-01 -1.052146171e+00 4.02 -2.341082530e-01 -7.679342004e-01 -1.033201150e+00 4.04 -2.303059575e-01 -7.499266285e-01 -1.014364836e+00 4.06 -2.232505536e-01 -7.323402966e-01 -9.955782837e-01 4.08 -2.164070973e-01 -7.151544503e-01 -9.767953259e-01 4.10 -2.097694566e-01 -6.983496258e-01 -9.579838818e-01 4.12 -2.033316540e-01 -6.819077080e-01 -9.391265743e-01 4.14 -1.970878652e-01 -6.658119750e-01 -9.202205496e-01 4.16 -1.910324175e-01 -6.500471291e-01 -9.012764676e-01 4.18 -1.851597871e-01 -6.345993106e-01 -8.823167194e-01 4.20 -1.794645975e-01 -6.194560950e-01 -8.633730232e-01 4.22 -1.739416168e-01 -6.046064724e-01 -8.444836156e-01 4.24 -1.685857552e-01 -5.900408076e-01 -8.256903018e-01 4.26 -1.633920627e-01 -5.757507842e-01 -8.070356274e-01 4.28 -1.583557261e-01 -5.617293310e-01 -7.885604040e-01 4.30 -1.534720665e-01 -5.479705336e-01 -7.703017582e-01 4.32 -1.487365363e-01 -5.344695331e-01 -7.522917959e-01 4.34 -1.441447167e-01 -5.212224146e-01 -7.345568919e-01 4.36 -1.396923143e-01 -5.082260872e-01 -7.171175471e-01 4.38 -1.353751589e-01 -4.954781601e-01 -6.999887018e-01 4.40 -1.311891999e-01 -4.829768169e-01 -6.831803675e-01 4.42 -1.267993993e-01 -4.698219073e-01 -6.656160206e-01 4.44 -1.180865870e-01 -4.445858607e-01 -6.333125182e-01 4.46 -9.503348527e-02 -3.760932032e-01 -5.454715857e-01 4.48 -4.803548590e-02 -2.152066828e-01 -3.249497661e-01 4.50 -3.772205926e-23 -1.893430429e-22 -1.681576413e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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