# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Fortini-A-Mendelev-M-I-Buldyrev-S-Srolovitz-D--Ru # implementation = 2008--Fortini-A--Ru--LAMMPS--ipr1 # composition = Ru # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 5.130638665e+05 nan 0.80 nan nan nan nan nan nan nan nan 4.688832611e+05 nan 0.82 nan nan nan nan nan nan nan nan 4.289105821e+05 nan 0.84 nan nan nan nan nan nan nan nan 3.926528143e+05 nan 0.86 nan nan nan nan nan 3.007529508e+05 nan nan 3.596941586e+05 nan 0.88 nan nan nan nan nan 2.746984501e+05 nan nan 3.296781061e+05 nan 0.90 nan nan nan nan nan 2.509187667e+05 nan nan 3.022903727e+05 nan 0.92 nan nan nan nan nan 2.291731289e+05 nan nan 2.772527549e+05 nan 0.94 nan nan nan nan nan 2.092524021e+05 nan nan 2.543178843e+05 nan 0.96 nan nan nan 5.211299518e+05 5.211339396e+05 1.909734715e+05 nan nan 2.332659770e+05 3.419766768e+05 0.98 nan nan nan 4.843875728e+05 4.843948355e+05 1.741744804e+05 nan nan 2.139034230e+05 3.160244182e+05 1.00 nan 2.920051950e+05 nan 4.505319372e+05 4.505386039e+05 1.587139298e+05 2.974822861e+05 nan 1.960606376e+05 2.921302575e+05 1.02 nan 2.699550690e+05 nan 4.192867594e+05 4.192893683e+05 1.444634889e+05 2.751013030e+05 nan 1.795892059e+05 2.700931041e+05 1.04 nan 2.495757673e+05 nan 3.904087616e+05 3.904052355e+05 1.313024420e+05 2.544262641e+05 nan 1.643585896e+05 2.497294702e+05 1.06 nan 2.307103110e+05 nan 3.636798997e+05 3.636713199e+05 1.191195333e+05 2.352991318e+05 nan 1.502540318e+05 2.308779178e+05 1.08 nan 2.132208575e+05 nan 3.389038525e+05 3.388937759e+05 1.078147240e+05 2.175762016e+05 nan 1.371757019e+05 2.133977777e+05 1.10 3.159171174e+05 1.969853428e+05 2.828347011e+05 3.159030953e+05 3.158954276e+05 9.730291058e+04 2.011284293e+05 2.926674307e+05 1.250363608e+05 1.971639493e+05 1.12 2.945213357e+05 1.818959403e+05 2.631912597e+05 2.945199392e+05 2.945172985e+05 8.751490995e+04 1.858403020e+05 2.724993296e+05 1.137588393e+05 1.820654528e+05 1.14 2.746033271e+05 1.678537909e+05 2.449001978e+05 2.746141174e+05 2.746176361e+05 7.839376801e+04 1.716070211e+05 2.537267519e+05 1.032721045e+05 1.680044952e+05 1.16 2.560413000e+05 1.547686031e+05 2.278503548e+05 2.560609425e+05 2.560703034e+05 6.988871272e+04 1.583348692e+05 2.362353196e+05 9.350957476e+04 1.548961557e+05 1.18 2.387257387e+05 1.425607621e+05 2.119443437e+05 2.387492206e+05 2.387623741e+05 6.195404277e+04 1.459421995e+05 2.199215665e+05 8.440995587e+04 1.426663446e+05 1.20 2.225574618e+05 1.311585127e+05 1.970948412e+05 2.225783718e+05 2.225917600e+05 5.454847052e+04 1.343585550e+05 2.046903769e+05 7.591718683e+04 1.312487450e+05 1.22 2.074440438e+05 1.204961830e+05 1.832183824e+05 2.074566304e+05 2.074664237e+05 4.763241064e+04 1.235230299e+05 1.904531418e+05 6.798069944e+04 1.205802708e+05 1.24 1.933001346e+05 1.105153503e+05 1.702360835e+05 1.933009742e+05 1.933045758e+05 4.116820578e+04 1.133807882e+05 1.771278262e+05 6.055531157e+04 1.106006247e+05 1.26 1.800485833e+05 1.011635002e+05 1.580748743e+05 1.800367068e+05 1.800330807e+05 3.512010470e+04 1.038803272e+05 1.646401636e+05 5.359944108e+04 1.012530450e+05 1.28 1.676186344e+05 9.239127909e+04 1.466691529e+05 1.675958782e+05 1.675855902e+05 2.945502252e+04 9.497299099e+04 1.529225961e+05 4.707500214e+04 9.248589101e+04 1.30 1.559437653e+05 8.415293470e+04 1.359595649e+05 1.559152946e+05 1.559003768e+05 2.414303056e+04 8.661364573e+04 1.419139796e+05 4.094777952e+04 8.425446287e+04 1.32 1.449631638e+05 7.640773572e+04 1.258910594e+05 1.449364032e+05 1.449198308e+05 1.915710887e+04 7.876135361e+04 1.315599294e+05 3.518664303e+04 7.652004914e+04 1.34 1.346238576e+05 6.912041243e+04 1.164133686e+05 1.346058463e+05 1.345908370e+05 1.463734563e+04 7.137828514e+04 1.218126333e+05 2.976312387e+04 6.924709773e+04 1.36 1.248815167e+05 6.225887068e+04 1.074804968e+05 1.248757489e+05 1.248650280e+05 1.111637529e+04 6.442981470e+04 1.126300265e+05 2.465176900e+04 6.240322923e+04 1.38 1.156960912e+05 5.579284479e+04 9.905095925e+04 1.157025133e+05 1.156979629e+05 8.422741353e+03 5.788460460e+04 1.039734930e+05 1.983005117e+04 5.595782799e+04 1.40 1.070301879e+05 4.969428860e+04 9.108918961e+04 1.070464259e+05 1.070488996e+05 6.364047425e+03 5.171448828e+04 9.580728509e+04 1.535883538e+04 4.988134679e+04 1.42 9.884933888e+04 4.393786324e+04 8.356603669e+04 9.887174706e+04 9.888109180e+04 4.793029539e+03 4.589427213e+04 8.809837243e+04 1.177602583e+04 4.414611961e+04 1.44 9.112112196e+04 3.850104128e+04 7.645632573e+04 9.114608848e+04 9.116141656e+04 3.596661689e+03 4.040014125e+04 8.081650664e+04 9.002940577e+03 3.872641945e+04 1.46 8.381547709e+04 3.336365665e+04 6.973600187e+04 8.383972796e+04 8.385942446e+04 2.687766471e+03 3.520898382e+04 7.393372854e+04 6.860404205e+03 3.359896960e+04 1.48 7.690479275e+04 2.850664700e+04 6.338187667e+04 7.692535152e+04 7.694709629e+04 1.999143802e+03 3.029868363e+04 6.742381876e+04 5.208532947e+03 2.874300636e+04 1.50 7.036306291e+04 2.391150749e+04 5.737173294e+04 7.037767055e+04 7.039868522e+04 1.479044172e+03 2.564852672e+04 6.126211708e+04 3.938210147e+03 2.413940857e+04 1.52 6.416601613e+04 1.956043229e+04 5.168393839e+04 6.417353227e+04 6.419095464e+04 1.087597687e+03 2.123956956e+04 5.542587836e+04 2.964233252e+03 1.977081372e+04 1.54 5.829154417e+04 1.550334484e+04 4.629746292e+04 5.829175896e+04 5.830311058e+04 7.941398024e+02 1.705520840e+04 4.989441463e+04 2.219968601e+03 1.567661000e+04 1.56 5.271922254e+04 1.218814623e+04 4.119214254e+04 5.271279967e+04 5.271653285e+04 5.751450714e+02 1.343527657e+04 4.464859737e+04 1.653349428e+03 1.231160092e+04 1.58 4.742989294e+04 9.561107028e+03 3.634900768e+04 4.741836564e+04 4.741415353e+04 4.126078122e+02 1.055791404e+04 3.967057861e+04 1.223749818e+03 9.643765000e+03 1.60 4.240599264e+04 7.481452599e+03 3.175066729e+04 4.239120757e+04 4.237970811e+04 2.927715967e+02 8.273357973e+03 3.494374202e+04 8.994567132e+02 7.532043086e+03 1.62 3.763190462e+04 5.837140608e+03 2.738166752e+04 3.761529923e+04 3.759778028e+04 2.051359758e+02 6.462233035e+03 3.045275586e+04 6.558501991e+02 5.864041295e+03 1.64 3.309325281e+04 4.538914017e+03 2.322791974e+04 3.307558891e+04 3.305366947e+04 1.416761002e+02 5.029278125e+03 2.618304915e+04 4.738663689e+02 4.549797184e+03 1.66 2.877598096e+04 3.515661811e+03 1.927600249e+04 2.875766727e+04 2.873321081e+04 9.625558312e+01 3.898299005e+03 2.212045823e+04 3.387682281e+02 3.517022871e+03 1.68 2.466639056e+04 2.710789429e+03 1.557427607e+04 2.464791755e+04 2.462291516e+04 6.419263428e+01 3.008251024e+03 1.825136774e+04 2.391930915e+02 2.707725967e+03 1.70 2.075129959e+04 2.079290136e+03 1.250252509e+04 2.073347613e+04 2.070990119e+04 4.192531153e+01 2.310141488e+03 1.471060377e+04 1.664004680e+02 2.075484797e+03 1.72 1.701892798e+04 1.585476548e+03 1.001876020e+04 1.700291492e+04 1.698273804e+04 2.675349647e+01 1.764597471e+03 1.182011628e+04 1.136882643e+02 1.583211831e+03 1.74 1.374965976e+04 1.200875192e+03 8.011748094e+03 1.373839285e+04 1.372520776e+04 1.663449172e+01 1.339969129e+03 9.477503297e+03 7.593808233e+01 1.201288441e+03 1.76 1.108846678e+04 9.026848154e+02 6.391208590e+03 1.108175439e+04 1.107480255e+04 1.003445797e+01 1.010874511e+03 7.580513992e+03 4.925601800e+01 9.060906223e+02 1.78 8.923220196e+03 6.727256315e+02 5.083932435e+03 8.920678947e+03 8.918893652e+03 5.819745552e+00 7.570148789e+02 6.046354019e+03 3.069153583e+01 6.788335945e+02 1.80 7.162974081e+03 4.964813305e+02 4.030604643e+03 7.164044290e+03 7.166214719e+03 3.170066390e+00 5.622030290e+02 4.807739470e+03 1.801961926e+01 5.046318041e+02 1.82 5.733914100e+03 3.623463451e+02 3.183190169e+03 5.737814540e+03 5.742704868e+03 1.504780029e+00 4.135919911e+02 3.809836350e+03 9.569901915e+00 3.717293153e+02 1.84 4.575962430e+03 2.610446990e+02 2.502788517e+03 4.581708345e+03 4.588153435e+03 4.205942482e-01 3.009495751e+02 3.007780687e+03 4.092829451e+00 2.708701667e+02 1.86 3.639763471e+03 1.851910600e+02 1.957885179e+03 3.646361849e+03 3.653376801e+03 -3.547341764e-01 2.161758939e+02 2.364867695e+03 6.596763561e-01 1.947887017e+02 1.88 2.884616003e+03 1.289337095e+02 1.522921966e+03 2.891249201e+03 2.898100942e+03 -9.965188934e-01 1.528898121e+02 1.851073394e+03 -1.412583400e+00 1.377979951e+02 1.90 2.277012925e+03 8.766071333e+01 1.177082909e+03 2.283104849e+03 2.289306963e+03 -1.607779616e+00 1.060803542e+02 1.441713253e+03 -2.618216134e+00 9.545781130e+01 1.92 1.789579927e+03 5.777826092e+01 9.034596464e+02 1.794790195e+03 1.800059038e+03 -2.187826979e+00 7.187542206e+01 1.116704081e+03 -3.267591405e+00 6.438761629e+01 1.94 1.399828587e+03 3.648236148e+01 6.881847636e+02 1.404013297e+03 1.408224212e+03 -2.724857157e+00 4.723965954e+01 8.596798438e+02 -3.580198214e+00 4.194160895e+01 1.96 1.089194869e+03 2.158158071e+01 5.197771875e+02 1.092345723e+03 1.095493406e+03 -3.241489184e+00 2.976213082e+01 6.572719341e+02 -3.737171902e+00 2.599039129e+01 1.98 8.425116986e+02 1.138813239e+01 3.888461555e+02 8.447058740e+02 8.468702313e+02 -3.737396585e+00 1.758107973e+01 4.986140107e+02 -3.852798702e+00 1.488441524e+01 2.00 6.473950107e+02 4.610325438e+00 2.877403396e+02 6.487614997e+02 6.500784610e+02 -4.196996187e+00 9.270770999e+00 3.748918148e+02 -3.992369337e+00 7.346129888e+00 2.02 4.937431939e+02 2.664960143e-01 2.102495659e+02 4.944398317e+02 4.950765223e+02 -4.595608689e+00 3.749391372e+00 2.789719106e+02 -4.185432164e+00 2.389689235e+00 2.04 3.733351168e+02 -2.383461992e+00 1.513549816e+02 3.735293417e+02 3.736628982e+02 -4.903143234e+00 2.021284087e-01 2.050953841e+02 -4.436208339e+00 -7.385254541e-01 2.06 2.794961757e+02 -3.892016356e+00 1.070169185e+02 2.793458991e+02 2.791431443e+02 -5.090111193e+00 -1.979516608e+00 1.486239631e+02 -4.731570938e+00 -2.606993407e+00 2.08 2.068192336e+02 -4.665836859e+00 7.399697037e+01 2.064603055e+02 2.060638142e+02 -5.180571269e+00 -3.244783358e+00 1.058278937e+02 -5.047167918e+00 -3.637277872e+00 2.10 1.509323749e+02 -4.997732534e+00 4.970998454e+01 1.504736567e+02 1.499958077e+02 -5.263055451e+00 -3.920300965e+00 7.371511766e+01 -5.351827826e+00 -4.137533756e+00 2.12 1.083076689e+02 -5.092407763e+00 3.210129488e+01 1.078304396e+02 1.073523870e+02 -5.350543121e+00 -4.240031068e+00 4.989334300e+01 -5.610782063e+00 -4.329565208e+00 2.14 7.610531295e+01 -5.087291294e+00 1.954728521e+01 7.566538577e+01 7.523963809e+01 -5.424438994e+00 -4.368296645e+00 3.245766154e+01 -5.788258430e+00 -4.368324235e+00 2.16 5.204648643e+01 -5.068756613e+00 1.077487649e+01 5.167732592e+01 5.133233463e+01 -5.475337790e+00 -4.416808063e+00 1.989871962e+01 -5.858662959e+00 -4.356373644e+00 2.18 3.430539978e+01 -5.085160219e+00 4.792811114e+00 3.402261038e+01 3.376865300e+01 -5.501901020e+00 -4.457880578e+00 1.102540475e+01 -5.873029971e+00 -4.357053013e+00 2.20 2.142139932e+01 -5.157722442e+00 8.349531535e-01 2.122799237e+01 2.106340741e+01 -5.508566861e+00 -4.534693382e+00 4.902603383e+00 -5.899880608e+00 -4.405146707e+00 2.22 1.223239082e+01 -5.288670981e+00 -1.685183544e+00 1.212308719e+01 1.203912894e+01 -5.501527358e+00 -4.668086174e+00 8.015609260e-01 -5.930270933e+00 -4.514775112e+00 2.24 5.820042870e+00 -5.467454915e+00 -3.211645798e+00 5.784913535e+00 5.769272537e+00 -5.485963990e+00 -4.862173253e+00 -1.841092314e+00 -5.946574665e+00 -4.685584591e+00 2.26 1.464124951e+00 -5.676019470e+00 -4.075876851e+00 1.491167410e+00 1.530397506e+00 -5.465863643e+00 -5.108823285e+00 -3.456669314e+00 -5.941388563e+00 -4.907160072e+00 2.28 -1.394154299e+00 -5.892164586e+00 -4.520212742e+00 -1.317934796e+00 -1.237208333e+00 -5.443531000e+00 -5.391365925e+00 -4.371123696e+00 -5.915162916e+00 -5.160732231e+00 2.30 -3.183508219e+00 -6.092199410e+00 -4.717303603e+00 -3.071606610e+00 -2.962158686e+00 -5.419821927e+00 -5.687749124e+00 -4.827483779e+00 -5.873240833e+00 -5.421308252e+00 2.32 -4.229812149e+00 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