# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y # implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1 # composition = Pd3Y # 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 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 3.810254934e+02 nan nan 1.06 3.558308944e+02 nan nan 1.08 3.322495275e+02 nan nan 1.10 3.101770306e+02 nan nan 1.12 2.895159946e+02 2.969983620e+02 nan 1.14 2.701754863e+02 2.813838271e+02 nan 1.16 2.520706009e+02 2.664627325e+02 3.734207903e+02 1.18 2.351220476e+02 2.522115708e+02 3.520409041e+02 1.20 2.192557658e+02 2.386070457e+02 3.317992883e+02 1.22 2.044025670e+02 2.256261351e+02 3.126378515e+02 1.24 1.904978024e+02 2.132461442e+02 2.945013761e+02 1.26 1.774810541e+02 2.014447527e+02 2.773373802e+02 1.28 1.652958482e+02 1.902000539e+02 2.610959850e+02 1.30 1.538893879e+02 1.794905890e+02 2.457297895e+02 1.32 1.432123051e+02 1.692953745e+02 2.311937503e+02 1.34 1.332184292e+02 1.595939259e+02 2.174450675e+02 1.36 1.238645737e+02 1.503662755e+02 2.044430760e+02 1.38 1.151103349e+02 1.415929874e+02 1.921491421e+02 1.40 1.069179072e+02 1.332551680e+02 1.805265640e+02 1.42 9.925190950e+01 1.253344737e+02 1.695404786e+02 1.44 9.207922456e+01 1.178131157e+02 1.591577716e+02 1.46 8.536884910e+01 1.106738616e+02 1.493469921e+02 1.48 7.909175399e+01 1.039000355e+02 1.400782714e+02 1.50 7.322075472e+01 9.747551586e+01 1.313232458e+02 1.52 6.773039009e+01 9.138473087e+01 1.230549829e+02 1.54 6.259680929e+01 8.561265339e+01 1.152479110e+02 1.56 5.779766727e+01 8.014479364e+01 1.078777529e+02 1.58 5.331202638e+01 7.496719116e+01 1.009214620e+02 1.60 4.912026514e+01 7.006640551e+01 9.435716178e+01 1.62 4.520399329e+01 6.542950633e+01 8.816408802e+01 1.64 4.154597214e+01 6.104406247e+01 8.232253413e+01 1.66 3.813004069e+01 5.689813066e+01 7.681379878e+01 1.68 3.494104635e+01 5.298024362e+01 7.162013618e+01 1.70 3.196478059e+01 4.927939781e+01 6.672470880e+01 1.72 2.918791871e+01 4.578504086e+01 6.211154224e+01 1.74 2.659796348e+01 4.248705879e+01 5.776548241e+01 1.76 2.418319287e+01 3.937576309e+01 5.367215474e+01 1.78 2.193261091e+01 3.644187770e+01 4.981792530e+01 1.80 1.983590182e+01 3.367652599e+01 4.618986391e+01 1.82 1.788338734e+01 3.107121772e+01 4.277570897e+01 1.84 1.606598662e+01 2.861783616e+01 3.956383400e+01 1.86 1.437517886e+01 2.630862522e+01 3.654321587e+01 1.88 1.280296831e+01 2.413617677e+01 3.370340449e+01 1.90 1.134185154e+01 2.209341815e+01 3.103449405e+01 1.92 9.984786886e+00 2.017359986e+01 2.852709562e+01 1.94 8.725165738e+00 1.837028347e+01 2.617231113e+01 1.96 7.556785768e+00 1.667732978e+01 2.396170856e+01 1.98 6.473825860e+00 1.508888726e+01 2.188729844e+01 2.00 5.470822553e+00 1.359938069e+01 1.994151138e+01 2.02 4.542648078e+00 1.220350016e+01 1.811717684e+01 2.04 3.684489725e+00 1.089619032e+01 1.640750286e+01 2.06 2.891830527e+00 9.672639935e+00 1.480605677e+01 2.08 2.160431168e+00 8.528271729e+00 1.330674695e+01 2.10 1.486312991e+00 7.458732538e+00 1.190380537e+01 2.12 8.657421242e-01 6.459883774e+00 1.059177111e+01 2.14 2.952145411e-01 5.527792183e+00 9.365474584e+00 2.16 -2.285579298e-01 4.658720912e+00 8.220022661e+00 2.18 -7.086607107e-01 3.849120874e+00 7.150784423e+00 2.20 -1.147988801e+00 3.095622413e+00 6.153377691e+00 2.22 -1.549258329e+00 2.395027262e+00 5.223656213e+00 2.24 -1.915017388e+00 1.744300796e+00 4.357697475e+00 2.26 -2.247656222e+00 1.140564562e+00 3.551791136e+00 2.28 -2.549416777e+00 5.810890974e-01 2.802428036e+00 2.30 -2.822401678e+00 6.328701755e-02 2.106289755e+00 2.32 -3.068582650e+00 -4.152936244e-01 1.460238696e+00 2.34 -3.289808432e+00 -8.569757195e-01 8.613086659e-01 2.36 -3.487812219e+00 -1.263959227e+00 3.066959330e-01 2.38 -3.664218638e+00 -1.638327051e+00 -2.062492687e-01 2.40 -3.820550313e+00 -1.982050675e+00 -6.800308036e-01 2.42 -3.958234033e+00 -2.296995563e+00 -1.117014291e+00 2.44 -4.078606546e+00 -2.584926330e+00 -1.519434376e+00 2.46 -4.182920005e+00 -2.847511696e+00 -1.889401629e+00 2.48 -4.272347089e+00 -3.086329223e+00 -2.228909095e+00 2.50 -4.347985817e+00 -3.302869849e+00 -2.539838514e+00 2.52 -4.410864068e+00 -3.498542216e+00 -2.823966217e+00 2.54 -4.461943841e+00 -3.674676820e+00 -3.082968728e+00 2.56 -4.502125248e+00 -3.832529953e+00 -3.318428074e+00 2.58 -4.532250281e+00 -3.973287489e+00 -3.531836829e+00 2.60 -4.553106345e+00 -4.098068483e+00 -3.724602892e+00 2.62 -4.565429581e+00 -4.207928608e+00 -3.898054028e+00 2.64 -4.569907998e+00 -4.303863435e+00 -4.053442166e+00 2.66 -4.567184411e+00 -4.386811557e+00 -4.191947482e+00 2.68 -4.557859207e+00 -4.457657567e+00 -4.314682271e+00 2.70 -4.542492945e+00 -4.517234894e+00 -4.422694614e+00 2.72 -4.521608803e+00 -4.566328503e+00 -4.516971857e+00 2.74 -4.495694878e+00 -4.605677470e+00 -4.598443915e+00 2.76 -4.465206347e+00 -4.635977424e+00 -4.667986394e+00 2.78 -4.430567505e+00 -4.657882873e+00 -4.726423556e+00 2.80 -4.392173674e+00 -4.672009423e+00 -4.774531130e+00 2.82 -4.350393004e+00 -4.678935878e+00 -4.813038976e+00 2.84 -4.305568164e+00 -4.679206238e+00 -4.842633602e+00 2.86 -4.258017933e+00 -4.673331600e+00 -4.863960563e+00 2.88 -4.208038691e+00 -4.661791964e+00 -4.877626717e+00 2.90 -4.155905832e+00 -4.645037942e+00 -4.884202376e+00 2.92 -4.101875080e+00 -4.623492386e+00 -4.884223334e+00 2.94 -4.046183733e+00 -4.597551930e+00 -4.878192795e+00 2.96 -3.989052791e+00 -4.567588457e+00 -4.866583193e+00 2.98 -3.930754300e+00 -4.533950481e+00 -4.849837916e+00 3.00 -3.871552637e+00 -4.496964469e+00 -4.828372942e+00 3.02 -3.811256001e+00 -4.456936084e+00 -4.802578384e+00 3.04 -3.750247561e+00 -4.414151370e+00 -4.772819955e+00 3.06 -3.688676258e+00 -4.368877874e+00 -4.739440349e+00 3.08 -3.626679441e+00 -4.321365701e+00 -4.702760557e+00 3.10 -3.564383628e+00 -4.271848523e+00 -4.663081101e+00 3.12 -3.501905210e+00 -4.220544529e+00 -4.620683214e+00 3.14 -3.439351119e+00 -4.167657326e+00 -4.575829941e+00 3.16 -3.376819455e+00 -4.113376789e+00 -4.528767198e+00 3.18 -3.314400069e+00 -4.057879865e+00 -4.479724757e+00 3.20 -3.252175116e+00 -4.001331339e+00 -4.428917187e+00 3.22 -3.190219575e+00 -3.943884554e+00 -4.376544741e+00 3.24 -3.128601729e+00 -3.885682087e+00 -4.322794195e+00 3.26 -3.067383621e+00 -3.826856397e+00 -4.267839639e+00 3.28 -3.006621486e+00 -3.767530434e+00 -4.211843226e+00 3.30 -2.946366145e+00 -3.707818208e+00 -4.154955881e+00 3.32 -2.886663385e+00 -3.647825336e+00 -4.097317968e+00 3.34 -2.827554309e+00 -3.587649553e+00 -4.039059923e+00 3.36 -2.769075668e+00 -3.527381195e+00 -3.980302847e+00 3.38 -2.711260164e+00 -3.467103656e+00 -3.921159071e+00 3.40 -2.654136750e+00 -3.406893816e+00 -3.861732689e+00 3.42 -2.597632197e+00 -3.346822450e+00 -3.802120054e+00 3.44 -2.537961645e+00 -3.286954610e+00 -3.742410260e+00 3.46 -2.458466008e+00 -3.227349985e+00 -3.682685581e+00 3.48 -2.401223633e+00 -3.168063241e+00 -3.623021896e+00 3.50 -2.348005921e+00 -3.109144345e+00 -3.563489085e+00 3.52 -2.295599666e+00 -3.050638863e+00 -3.504151406e+00 3.54 -2.244013502e+00 -2.992588247e+00 -3.445067847e+00 3.56 -2.193254095e+00 -2.935030102e+00 -3.386292458e+00 3.58 -2.143326301e+00 -2.877998440e+00 -3.327874670e+00 3.60 -2.094233312e+00 -2.821523914e+00 -3.269859582e+00 3.62 -2.045976790e+00 -2.765631174e+00 -3.212288250e+00 3.64 -1.998556998e+00 -2.709669291e+00 -3.155197942e+00 3.66 -1.951972913e+00 -2.647489653e+00 -3.098622389e+00 3.68 -1.906222342e+00 -2.582573198e+00 -3.042592018e+00 3.70 -1.861302023e+00 -2.529168185e+00 -2.987134167e+00 3.72 -1.817207720e+00 -2.476456306e+00 -2.932273299e+00 3.74 -1.773934314e+00 -2.424449707e+00 -2.878031186e+00 3.76 -1.731475886e+00 -2.373158667e+00 -2.824427103e+00 3.78 -1.689825794e+00 -2.322591730e+00 -2.771477988e+00 3.80 -1.648976746e+00 -2.272755836e+00 -2.719198612e+00 3.82 -1.608920866e+00 -2.223656431e+00 -2.667601728e+00 3.84 -1.569649758e+00 -2.175297587e+00 -2.616698211e+00 3.86 -1.531154559e+00 -2.127682098e+00 -2.566497197e+00 3.88 -1.493426000e+00 -2.080811583e+00 -2.517006202e+00 3.90 -1.456454450e+00 -2.034686576e+00 -2.468231247e+00 3.92 -1.420229962e+00 -1.989306607e+00 -2.420176963e+00 3.94 -1.384742320e+00 -1.944670291e+00 -2.372846700e+00 3.96 -1.349981073e+00 -1.900775396e+00 -2.326242619e+00 3.98 -1.315935576e+00 -1.857618913e+00 -2.280365787e+00 4.00 -1.282595021e+00 -1.815197129e+00 -2.235216263e+00 4.02 -1.249948466e+00 -1.773505678e+00 -2.190793177e+00 4.04 -1.217984869e+00 -1.732539607e+00 -2.147094802e+00 4.06 -1.186693109e+00 -1.692293427e+00 -2.104118631e+00 4.08 -1.156062012e+00 -1.652761161e+00 -2.061861437e+00 4.10 -1.126080375e+00 -1.613936392e+00 -2.020319339e+00 4.12 -1.096736983e+00 -1.575812307e+00 -1.979487854e+00 4.14 -1.068020628e+00 -1.538381740e+00 -1.939361956e+00 4.16 -1.039920129e+00 -1.501637205e+00 -1.899936125e+00 4.18 -1.012424343e+00 -1.465570933e+00 -1.861191545e+00 4.20 -9.855221813e-01 -1.430174909e+00 -1.821244715e+00 4.22 -9.592026231e-01 -1.395440896e+00 -1.765741728e+00 4.24 -9.334547248e-01 -1.361360468e+00 -1.664971696e+00 4.26 -9.082676319e-01 -1.327925034e+00 -1.626771023e+00 4.28 -8.836305874e-01 -1.295125866e+00 -1.592395984e+00 4.30 -8.595329406e-01 -1.262954117e+00 -1.558671393e+00 4.32 -8.359641543e-01 -1.231400843e+00 -1.525588614e+00 4.34 -8.129138118e-01 -1.200457028e+00 -1.493138877e+00 4.36 -7.903716221e-01 -1.170113593e+00 -1.461313301e+00 4.38 -7.683274258e-01 -1.140361420e+00 -1.430102913e+00 4.40 -7.467711987e-01 -1.111191365e+00 -1.399498668e+00 4.42 -7.256930565e-01 -1.082594272e+00 -1.369491467e+00 4.44 -7.050832574e-01 -1.054560983e+00 -1.340072175e+00 4.46 -6.849322055e-01 -1.027082357e+00 -1.311231634e+00 4.48 -6.652304523e-01 -1.000149276e+00 -1.282960679e+00 4.50 -6.459686996e-01 -9.737526537e-01 -1.255250150e+00 4.52 -6.271377999e-01 -9.478834499e-01 -1.228090904e+00 4.54 -6.087287584e-01 -9.225326750e-01 -1.201473826e+00 4.56 -5.907327330e-01 -8.976913991e-01 -1.175389837e+00 4.58 -5.731410353e-01 -8.733507586e-01 -1.149829906e+00 4.60 -5.559451304e-01 -8.495019629e-01 -1.124785058e+00 4.62 -5.391366370e-01 -8.261362998e-01 -1.100246379e+00 4.64 -5.227073271e-01 -8.032451407e-01 -1.076205023e+00 4.66 -5.066491252e-01 -7.808199455e-01 -1.052652223e+00 4.68 -4.909541077e-01 -7.588522665e-01 -1.029579288e+00 4.70 -4.756145023e-01 -7.373337522e-01 -1.006977616e+00 4.72 -4.606226861e-01 -7.162561502e-01 -9.848386941e-01 4.74 -4.459711855e-01 -6.956113109e-01 -9.631541033e-01 4.76 -4.316526740e-01 -6.753911892e-01 -9.419155218e-01 4.78 -4.176599709e-01 -6.555878469e-01 -9.211147284e-01 4.80 -4.039860401e-01 -6.361934549e-01 -9.007436048e-01 4.82 -3.906240044e-01 -6.172002942e-01 -8.807941380e-01 4.84 -3.776531178e-01 -5.986007576e-01 -8.612584222e-01 4.86 -3.660188359e-01 -5.803873506e-01 -8.421286603e-01 4.88 -3.591724848e-01 -5.625526923e-01 -8.233971656e-01 4.90 -3.552601791e-01 -5.450895158e-01 -8.050563623e-01 4.92 -3.433096929e-01 -5.279906688e-01 -7.870987865e-01 4.94 -3.316226863e-01 -5.112491137e-01 -7.695170872e-01 4.96 -3.201937870e-01 -4.948579277e-01 -7.523040261e-01 4.98 -3.090177287e-01 -4.788103030e-01 -7.354524781e-01 5.00 -2.980893495e-01 -4.630995458e-01 -7.189554312e-01 5.02 -2.874035907e-01 -4.477190768e-01 -7.028059865e-01 5.04 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