# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Eich-S-M-Beinke-D-Schmitz-G--Fe-Cr # implementation = 2015--Eich-S-M--Fe-Cr--LAMMPS--ipr1 # composition = Fe # 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 1.107522182e+04 nan 0.70 nan nan nan nan nan nan nan nan 9.967410054e+03 nan 0.72 nan nan nan nan nan nan nan nan 8.983816762e+03 nan 0.74 nan nan nan nan nan 6.885173828e+03 nan nan 8.107676035e+03 nan 0.76 nan nan nan nan nan 6.208644639e+03 nan nan 7.325125857e+03 nan 0.78 nan nan nan nan nan 5.604068906e+03 nan nan 6.624787607e+03 nan 0.80 nan nan nan nan nan 5.062315038e+03 nan nan 5.997014760e+03 nan 0.82 nan nan nan nan nan 4.575041328e+03 nan nan 5.433343185e+03 nan 0.84 nan nan nan 1.097374536e+04 1.097311335e+04 4.135367626e+03 nan nan 4.926116012e+03 7.190179737e+03 0.86 nan 6.525629714e+03 nan 1.007191439e+04 1.007107671e+04 3.737397916e+03 6.667354491e+03 nan 4.468672982e+03 6.561278928e+03 0.88 nan 5.962360689e+03 nan 9.255254924e+03 9.254449588e+03 3.376469681e+03 6.090304163e+03 nan 4.055050436e+03 5.991940790e+03 0.90 nan 5.450008888e+03 nan 8.513710599e+03 8.513107745e+03 3.048917718e+03 5.566366461e+03 nan 3.679896112e+03 5.476274195e+03 0.92 nan 4.982694242e+03 nan 7.838466011e+03 7.838208347e+03 2.751201571e+03 5.090179784e+03 nan 3.338651767e+03 5.008678391e+03 0.94 nan 4.555955891e+03 nan 7.222123551e+03 7.222313412e+03 2.480062807e+03 4.656865494e+03 nan 3.027555288e+03 4.583651787e+03 0.96 6.658180636e+03 4.166027452e+03 5.962870901e+03 6.658649395e+03 6.659289898e+03 2.232453586e+03 4.261826791e+03 6.166443642e+03 2.743324844e+03 4.196412527e+03 0.98 6.141743884e+03 3.809444801e+03 5.490238426e+03 6.142687948e+03 6.143696649e+03 2.005756937e+03 3.901118515e+03 5.681811778e+03 2.483114642e+03 3.842706639e+03 1.00 5.668246283e+03 3.483027042e+03 5.056038173e+03 5.669494560e+03 5.670677221e+03 1.798000502e+03 3.571381020e+03 5.237076835e+03 2.244425411e+03 3.518684822e+03 1.02 5.233178345e+03 3.183655873e+03 4.656578262e+03 5.234411438e+03 5.235501216e+03 1.607383212e+03 3.269317116e+03 4.828197839e+03 2.024985577e+03 3.221006898e+03 1.04 4.832476344e+03 2.908458390e+03 4.288529172e+03 4.833413370e+03 4.834197155e+03 1.432259471e+03 2.991902354e+03 4.451637677e+03 1.822835598e+03 2.946750713e+03 1.06 4.462894959e+03 2.654983454e+03 3.949351246e+03 4.463376312e+03 4.463751407e+03 1.271354462e+03 2.736482748e+03 4.104469354e+03 1.636379569e+03 2.693564072e+03 1.08 4.121467530e+03 2.421170767e+03 3.636805826e+03 4.121449377e+03 4.121392233e+03 1.123587262e+03 2.500773216e+03 3.784017548e+03 1.464206497e+03 2.459309996e+03 1.10 3.805594756e+03 2.205338197e+03 3.348596860e+03 3.805123000e+03 3.804669059e+03 9.878755597e+02 2.282727924e+03 3.487895638e+03 1.305091286e+03 2.242173434e+03 1.12 3.513277112e+03 2.006001774e+03 3.082638250e+03 3.512407304e+03 3.511613064e+03 8.632272622e+02 2.080523114e+03 3.214072453e+03 1.157986917e+03 2.040756238e+03 1.14 3.242654346e+03 1.821744205e+03 2.837063969e+03 3.241472602e+03 3.240435919e+03 7.487265623e+02 1.892645859e+03 2.960622570e+03 1.021967464e+03 1.853744710e+03 1.16 2.991852316e+03 1.651172042e+03 2.610111848e+03 2.990526878e+03 2.989395868e+03 6.435085451e+02 1.717789327e+03 2.725681690e+03 8.961717679e+02 1.680000947e+03 1.18 2.759035384e+03 1.493067246e+03 2.400047448e+03 2.757840667e+03 2.756794356e+03 5.467475802e+02 1.554905275e+03 2.507546059e+03 7.797807041e+02 1.518489241e+03 1.20 2.542587464e+03 1.346355930e+03 2.205181099e+03 2.541762577e+03 2.540971806e+03 4.576824331e+02 1.403104000e+03 2.304764208e+03 6.720245392e+02 1.368276073e+03 1.22 2.341058355e+03 1.209983161e+03 2.023877284e+03 2.340742175e+03 2.340344042e+03 3.755744122e+02 1.261555442e+03 2.116131765e+03 5.722044718e+02 1.228502927e+03 1.24 2.153351512e+03 1.083004397e+03 1.854714465e+03 2.153546493e+03 2.153583385e+03 3.025814009e+02 1.129494481e+03 1.940580552e+03 4.796646923e+02 1.098462165e+03 1.26 1.978469495e+03 9.645493949e+02 1.696492534e+03 1.979059818e+03 1.979472320e+03 2.447500077e+02 1.006266295e+03 1.777085979e+03 3.938073824e+02 9.774774943e+02 1.28 1.815449175e+03 8.538381145e+02 1.548222950e+03 1.816277799e+03 1.816948593e+03 1.989938668e+02 8.912821682e+02 1.624685908e+03 3.144167985e+02 8.648715810e+02 1.30 1.663375754e+03 7.501807122e+02 1.409233773e+03 1.664295196e+03 1.665109006e+03 1.625965533e+02 7.840051566e+02 1.482444413e+03 2.490450948e+02 7.600174450e+02 1.32 1.521340675e+03 6.530370942e+02 1.278952769e+03 1.522217572e+03 1.523072482e+03 1.335084942e+02 6.839108102e+02 1.349451503e+03 1.980570180e+02 6.623182463e+02 1.34 1.388449892e+03 5.619208787e+02 1.156833842e+03 1.389192461e+03 1.389998690e+03 1.101490755e+02 5.904997009e+02 1.224834549e+03 1.581514068e+02 5.711868761e+02 1.36 1.263885226e+03 4.763869460e+02 1.042342037e+03 1.264438078e+03 1.265115311e+03 9.129488952e+01 5.033026829e+02 1.107846502e+03 1.268131901e+02 4.860926424e+02 1.38 1.146884186e+03 3.960421889e+02 9.349343590e+02 1.147227075e+03 1.147721647e+03 7.598363783e+01 4.218687817e+02 9.978316597e+02 1.021152270e+02 4.065550763e+02 1.40 1.036711229e+03 3.205360393e+02 8.340704982e+02 1.036876395e+03 1.037181572e+03 6.345953925e+01 3.457868636e+02 8.942470531e+02 8.254526072e+01 3.321126959e+02 1.42 9.328402695e+02 2.540190686e+02 7.392330732e+02 9.328845547e+02 9.330189131e+02 5.313449581e+01 2.768506589e+02 7.966920858e+02 6.695307279e+01 2.665715297e+02 1.44 8.349150861e+02 2.013074556e+02 6.499829715e+02 8.348787830e+02 8.348650723e+02 4.456276792e+01 2.215535289e+02 7.048196322e+02 5.446243945e+01 2.144320020e+02 1.46 7.425963711e+02 1.595818997e+02 5.659083206e+02 7.424951812e+02 7.423572020e+02 3.740500234e+01 1.776585091e+02 6.182904276e+02 4.440457832e+01 1.729332080e+02 1.48 6.555313285e+02 1.265348446e+02 4.866021947e+02 6.553657596e+02 6.551279911e+02 3.139736945e+01 1.427385985e+02 5.367608873e+02 3.626581912e+01 1.397890608e+02 1.50 5.734011395e+02 1.003407553e+02 4.117288505e+02 5.731784937e+02 5.728703923e+02 2.633750886e+01 1.149100870e+02 4.599105170e+02 2.964988654e+01 1.132399470e+02 1.52 4.959152739e+02 7.956425553e+01 3.410511377e+02 4.956490902e+02 4.953032549e+02 2.207005321e+01 9.269666554e+01 3.874377184e+02 2.424619337e+01 9.192375316e+01 1.54 4.227966164e+02 6.307197545e+01 2.758539709e+02 4.225043111e+02 4.221536673e+02 1.846899958e+01 7.492358325e+01 3.190505678e+02 1.981081404e+01 7.477062210e+01 1.56 3.537722270e+02 4.996937454e+01 2.224427604e+02 3.534751562e+02 3.531524667e+02 1.542870625e+01 6.065901681e+01 2.580928944e+02 1.615034507e+01 6.093582559e+01 1.58 2.891288906e+02 3.955405001e+01 1.794455630e+02 2.888655565e+02 2.886102577e+02 1.285975396e+01 4.916626948e+01 2.087468751e+02 1.311447230e+01 4.974906483e+01 1.60 2.348219480e+02 3.127490794e+01 1.448240449e+02 2.346376623e+02 2.344763691e+02 1.068465674e+01 3.986717779e+01 1.688318885e+02 1.058579310e+01 4.066833240e+01 1.62 1.907161018e+02 2.469426092e+01 1.169306896e+02 1.906211425e+02 1.905480163e+02 8.838376197e+00 3.231446036e+01 1.365334740e+02 8.471611555e+00 3.326243594e+01 1.64 1.548857715e+02 1.946130344e+01 9.443895614e+01 1.548720155e+02 1.548726891e+02 7.267839178e+00 2.615646449e+01 1.103939567e+02 6.699642271e+00 2.719013336e+01 1.66 1.257691763e+02 1.529497050e+01 7.628857687e+01 1.258211317e+02 1.258800207e+02 5.928271204e+00 2.110947412e+01 8.923631712e+01 5.212411677e+00 2.218829877e+01 1.68 1.021007307e+02 1.197178375e+01 6.162898774e+01 1.022006999e+02 1.023033996e+02 4.781523218e+00 1.695504487e+01 7.210832994e+01 3.960345552e+00 1.805285509e+01 1.70 8.285304768e+01 9.300137197e+00 4.977775406e+01 8.298455642e+01 8.311745819e+01 3.794880557e+00 1.352824690e+01 5.823850136e+01 2.896629791e+00 1.462026112e+01 1.72 6.719670920e+01 7.139460128e+00 4.018495720e+01 6.734554553e+01 6.749530185e+01 2.940689191e+00 1.069637759e+01 4.700658881e+01 1.988474409e+00 1.176168841e+01 1.74 5.446714475e+01 5.383755202e+00 3.240484947e+01 5.462003741e+01 5.477331519e+01 2.195978825e+00 8.352207284e+00 3.791262298e+01 1.210116755e+00 9.377974652e+00 1.76 4.412272724e+01 3.949069852e+00 2.608321290e+01 4.426804511e+01 4.441317853e+01 1.545014161e+00 6.410001653e+00 3.054806276e+01 5.416639412e-01 7.389659583e+00 1.78 3.571769325e+01 2.768961055e+00 2.093679374e+01 3.584618349e+01 3.597409474e+01 9.761830066e-01 4.800193135e+00 2.458058213e+01 -3.137511269e-02 5.730032432e+00 1.80 2.888686633e+01 1.793857184e+00 1.672618353e+01 2.899245108e+01 2.909736278e+01 4.800598094e-01 3.462716192e+00 1.973979112e+01 -5.203907264e-01 4.342520713e+00 1.82 2.333098299e+01 9.847384873e-01 1.326878118e+01 2.341067715e+01 2.348982220e+01 4.903555878e-02 2.348436262e+00 1.580603483e+01 -9.364160430e-01 3.179066190e+00 1.84 1.880566716e+01 3.057696666e-01 1.042516810e+01 1.885883537e+01 1.891168499e+01 -3.228927345e-01 1.417399842e+00 1.259967811e+01 -1.290181940e+00 2.199294765e+00 1.86 1.511181546e+01 -2.828950704e-01 8.084684596e+00 1.513952704e+01 1.516715171e+01 -6.409028477e-01 6.371096427e-01 9.975684680e+00 -1.591079881e+00 1.369849080e+00 1.88 1.208699148e+01 -8.024729739e-01 6.157481501e+00 1.209180418e+01 1.209667597e+01 -9.109737132e-01 -1.789068948e-02 7.817858225e+00 -1.847522068e+00 6.642693173e-01 1.90 9.598391244e+00 -1.265185863e+00 4.571213472e+00 9.584199037e+00 9.570115164e+00 -1.138688001e+00 -5.683886734e-01 6.032773058e+00 -2.065899921e+00 6.063330673e-02 1.92 7.539658318e+00 -1.677426747e+00 3.268028079e+00 7.511083232e+00 7.482611690e+00 -1.329038605e+00 -1.031582647e+00 4.548494223e+00 -2.250496025e+00 -4.582177923e-01 1.94 5.828334111e+00 -2.042474100e+00 2.198501742e+00 5.790209295e+00 5.752164966e+00 -1.486439407e+00 -1.421822028e+00 3.308806272e+00 -2.404846046e+00 -9.053224945e-01 1.96 4.399657426e+00 -2.361717301e+00 1.319296070e+00 4.356473289e+00 4.313336701e+00 -1.615639818e+00 -1.754311742e+00 2.268669704e+00 -2.532247491e+00 -1.291242836e+00 1.98 3.201436645e+00 -2.635463074e+00 5.925694957e-01 3.156894510e+00 3.112361948e+00 -1.722094044e+00 -2.038395985e+00 1.392167595e+00 -2.635707707e+00 -1.624747468e+00 2.00 2.191794027e+00 -2.866520069e+00 -1.343118305e-02 2.148810265e+00 2.105803552e+00 -1.810971212e+00 -2.280770889e+00 6.474412091e-01 -2.718078358e+00 -1.912940098e+00 2.02 1.337416466e+00 -3.060493424e+00 -5.240477481e-01 1.298119092e+00 1.258781496e+00 -1.887131310e+00 -2.486999779e+00 -1.851639334e-03 -2.781985224e+00 -2.161192305e+00 2.04 6.117901717e-01 -3.222751540e+00 -9.583263214e-01 5.776127797e-01 5.433925060e-01 -1.954680322e+00 -2.661232454e+00 -5.708313797e-01 -2.830327362e+00 -2.373690532e+00 2.06 -9.910826497e-03 -3.358801837e+00 -1.332403335e+00 -3.800752540e-02 -6.613998547e-02 -2.016577379e+00 -2.807428612e+00 -1.070020099e+00 -2.866359610e+00 -2.555625450e+00 2.08 -5.643355448e-01 -3.475908777e+00 -1.670217856e+00 -5.857940328e-01 -6.072762233e-01 -2.080444802e+00 -2.935074379e+00 -1.512683541e+00 -2.897011662e+00 -2.719583181e+00 2.10 -1.061497091e+00 -3.576814254e+00 -1.978380137e+00 -1.076154302e+00 -1.090823061e+00 -2.146058817e+00 -3.046631650e+00 -1.902761133e+00 -2.923592834e+00 -2.866014871e+00 2.12 -1.504720137e+00 -3.663220547e+00 -2.259384745e+00 -1.512815376e+00 -1.520914355e+00 -2.211800211e+00 -3.143366890e+00 -2.241273889e+00 -2.946406003e+00 -2.992998189e+00 2.14 -1.895311732e+00 -3.736437155e+00 -2.514519390e+00 -1.897525649e+00 -1.899740164e+00 -2.276036064e+00 -3.226297795e+00 -2.528776682e+00 -2.965529305e+00 -3.098684515e+00 2.16 -2.234498081e+00 -3.796982142e+00 -2.744278837e+00 -2.231842703e+00 -2.229187327e+00 -2.337117398e+00 -3.296305079e+00 -2.768441072e+00 -2.980744297e+00 -3.182605640e+00 2.18 -2.524432739e+00 -3.845234968e+00 -2.948612967e+00 -2.518000291e+00 -2.511567844e+00 -2.393374046e+00 -3.354212415e+00 -2.966348315e+00 -2.991812059e+00 -3.245176947e+00 2.20 -2.766588084e+00 -3.881577528e+00 -3.127339784e+00 -2.757510352e+00 -2.748432621e+00 -2.443110723e+00 -3.400404977e+00 -3.128308731e+00 -2.998427692e+00 -3.286804324e+00 2.22 -2.962999104e+00 -3.906522858e+00 -3.280593977e+00 -2.952350889e+00 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