# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Hepburn-D-J-Ackland-G-J--Fe-C # implementation = 2008--Hepburn-D-J--Fe-C--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 9.998707194e+03 nan 0.70 nan nan nan nan nan nan nan nan 8.997462956e+03 nan 0.72 nan nan nan nan nan nan nan nan 8.108952776e+03 nan 0.74 nan nan nan nan nan 6.223895308e+03 nan nan 7.317920343e+03 nan 0.76 nan nan nan nan nan 5.613142529e+03 nan nan 6.611769464e+03 nan 0.78 nan nan nan nan nan 5.067631461e+03 nan nan 5.980141601e+03 nan 0.80 nan nan nan nan nan 4.579077696e+03 nan nan 5.414247463e+03 nan 0.82 nan nan nan nan nan 4.139911425e+03 nan nan 4.906396299e+03 nan 0.84 nan nan nan 9.895456513e+03 9.894930354e+03 3.743876955e+03 nan nan 4.449623171e+03 6.486736815e+03 0.86 nan 5.884168747e+03 nan 9.081046574e+03 9.080336373e+03 3.385637250e+03 6.013741098e+03 nan 4.037879909e+03 5.919794373e+03 0.88 nan 5.377049523e+03 nan 8.343928413e+03 8.343236861e+03 3.060960265e+03 5.493916669e+03 nan 3.665753650e+03 5.406787187e+03 0.90 nan 4.916000069e+03 nan 7.674959782e+03 7.674429374e+03 2.766499598e+03 5.022175052e+03 nan 3.328400781e+03 4.942360012e+03 0.92 nan 4.495635863e+03 nan 7.066135572e+03 7.065890131e+03 2.499018006e+03 4.593624984e+03 nan 3.021704261e+03 4.521434386e+03 0.94 nan 4.111897407e+03 nan 6.510713115e+03 6.510853921e+03 2.255549941e+03 4.203835878e+03 nan 2.742258629e+03 4.138997471e+03 0.96 6.002801505e+03 3.761382653e+03 5.376937671e+03 6.003194036e+03 6.003736297e+03 2.033334998e+03 3.848629068e+03 5.560149532e+03 2.487084358e+03 3.790713035e+03 0.98 5.537879333e+03 3.440960636e+03 4.951663139e+03 5.538706741e+03 5.539584206e+03 1.830000970e+03 3.524418837e+03 5.124059357e+03 2.253600043e+03 3.472747868e+03 1.00 5.111826640e+03 3.147753690e+03 4.561152370e+03 5.112936911e+03 5.113979388e+03 1.643752659e+03 3.228163079e+03 4.724013730e+03 2.039543235e+03 3.181635369e+03 1.02 4.720498209e+03 2.878940938e+03 4.202016880e+03 4.721605130e+03 4.722576068e+03 1.472937349e+03 2.956870189e+03 4.356328627e+03 1.842847396e+03 2.914324611e+03 1.04 4.360167323e+03 2.631926624e+03 3.871209676e+03 4.361017393e+03 4.361728037e+03 1.316051939e+03 2.707803982e+03 4.017791840e+03 1.661728614e+03 2.668141308e+03 1.06 4.027897877e+03 2.404499304e+03 3.566432860e+03 4.028348268e+03 4.028707509e+03 1.171946236e+03 2.478577050e+03 3.705761050e+03 1.494744687e+03 2.440953348e+03 1.08 3.721021930e+03 2.194803021e+03 3.285665895e+03 3.721031429e+03 3.721013872e+03 1.039643357e+03 2.267127327e+03 3.417830128e+03 1.340619744e+03 2.230835569e+03 1.10 3.437201925e+03 2.001318968e+03 3.026824731e+03 3.436805282e+03 3.436432871e+03 9.181588304e+02 2.071605937e+03 3.151849216e+03 1.198246958e+03 2.036152635e+03 1.12 3.174632419e+03 1.822699647e+03 2.788030580e+03 3.173875176e+03 3.173190645e+03 8.065981394e+02 1.890367118e+03 2.905982730e+03 1.066680136e+03 1.855639697e+03 1.14 2.931633186e+03 1.657662107e+03 2.567606287e+03 2.930589687e+03 2.929676487e+03 7.041390979e+02 1.722046019e+03 2.678491112e+03 9.450829086e+02 1.688108952e+03 1.16 2.706510071e+03 1.504945777e+03 2.363969482e+03 2.705330022e+03 2.704320814e+03 6.100065818e+02 1.565464381e+03 2.467686775e+03 8.326758676e+02 1.532528465e+03 1.18 2.497604485e+03 1.363452210e+03 2.175558640e+03 2.496533975e+03 2.495591520e+03 5.234579981e+02 1.419674067e+03 2.272029758e+03 7.287174119e+02 1.387960332e+03 1.20 2.303452118e+03 1.232215177e+03 2.000850095e+03 2.302706240e+03 2.301986407e+03 4.438082378e+02 1.283868606e+03 2.090202768e+03 6.325117627e+02 1.253560407e+03 1.22 2.122736836e+03 1.110283406e+03 1.838370659e+03 2.122441703e+03 2.122070206e+03 3.703944190e+02 1.157295958e+03 1.921120700e+03 5.434276804e+02 1.128552839e+03 1.24 1.954472054e+03 9.968047897e+02 1.686841628e+03 1.954631678e+03 1.954649080e+03 3.025814009e+02 1.039263329e+03 1.763822679e+03 4.608738404e+02 1.012301341e+03 1.26 1.797758928e+03 8.909956160e+02 1.545182429e+03 1.798272867e+03 1.798628840e+03 2.447500077e+02 9.291772433e+02 1.617386037e+03 3.843112260e+02 9.041963290e+02 1.28 1.651731875e+03 7.921549251e+02 1.412493873e+03 1.652462447e+03 1.653053838e+03 1.989938668e+02 8.265026313e+02 1.480944158e+03 3.132601050e+02 8.036264494e+02 1.30 1.515567441e+03 6.996626544e+02 1.288163504e+03 1.516384210e+03 1.517108407e+03 1.625965533e+02 7.307536367e+02 1.353652016e+03 2.490450948e+02 7.100244940e+02 1.32 1.388444569e+03 6.130318623e+02 1.171673121e+03 1.389228974e+03 1.389995068e+03 1.335084942e+02 6.414567045e+02 1.234689097e+03 1.980570180e+02 6.228495644e+02 1.34 1.269556371e+03 5.318233089e+02 1.062528893e+03 1.270226256e+03 1.270953827e+03 1.101490755e+02 5.581609870e+02 1.123270488e+03 1.581514068e+02 5.415701940e+02 1.36 1.158166896e+03 4.556343560e+02 9.602481062e+02 1.158671940e+03 1.159288322e+03 9.129488953e+01 4.804432252e+02 1.018725656e+03 1.268131901e+02 4.657064413e+02 1.38 1.053592000e+03 3.841081883e+02 8.643400094e+02 1.053912416e+03 1.054367911e+03 7.598363782e+01 4.078964300e+02 9.204644379e+02 1.021152270e+02 3.948247065e+02 1.40 9.551720651e+02 3.169255663e+02 7.743165370e+02 9.553340652e+02 9.556203038e+02 6.345953925e+01 3.401489231e+02 8.279958106e+02 8.254526072e+01 3.285094986e+02 1.42 8.624324382e+02 2.540190686e+02 6.897108141e+02 8.624840430e+02 8.626153892e+02 5.313449581e+01 2.768243546e+02 7.409552759e+02 6.695307279e+01 2.665715297e+02 1.44 7.750477887e+02 2.013074556e+02 6.101272260e+02 7.750231966e+02 7.750185073e+02 4.456276792e+01 2.215535289e+02 6.590264178e+02 5.446243945e+01 2.144320020e+02 1.46 6.927076291e+02 1.595818997e+02 5.351956438e+02 6.926201620e+02 6.925000005e+02 3.740500234e+01 1.776585091e+02 5.819000035e+02 4.440457832e+01 1.729332080e+02 1.48 6.150880361e+02 1.265348446e+02 4.645505257e+02 6.149383757e+02 6.147245960e+02 3.139736945e+01 1.427385985e+02 5.092625059e+02 3.626581911e+01 1.397890608e+02 1.50 5.418989481e+02 1.003407553e+02 3.978893356e+02 5.416943935e+02 5.414138555e+02 2.633750886e+01 1.149100870e+02 4.408234102e+02 2.964988654e+01 1.132399470e+02 1.52 4.728775777e+02 7.956425553e+01 3.349966676e+02 4.726311346e+02 4.723137595e+02 2.207005321e+01 9.269666554e+01 3.763104210e+02 2.424619337e+01 9.192375316e+01 1.54 4.077740351e+02 6.307197545e+01 2.756775388e+02 4.075022901e+02 4.071784782e+02 1.846899958e+01 7.492358325e+01 3.154603990e+02 1.981081404e+01 7.477062210e+01 1.56 3.463426014e+02 4.996937454e+01 2.224427604e+02 3.460657643e+02 3.457659078e+02 1.542870625e+01 6.065901681e+01 2.580928944e+02 1.615034507e+01 6.093582559e+01 1.58 2.883374249e+02 3.955405001e+01 1.794455630e+02 2.880836382e+02 2.878372534e+02 1.285975396e+01 4.916626948e+01 2.087468751e+02 1.311447230e+01 4.974906482e+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 4.066833239e+01 1.62 1.907161018e+02 2.469426092e+01 1.169306896e+02 1.906211425e+02 1.905480163e+02 8.838376196e+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 2.615646456e+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 8.311745820e+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 2.940689192e+00 1.069637759e+01 4.700658881e+01 1.988474409e+00 1.176168841e+01 1.74 5.446714475e+01 5.383755202e+00 3.240484947e+01 5.462003740e+01 5.477331519e+01 2.195978825e+00 8.352207283e+00 3.791262298e+01 1.210116755e+00 9.377974652e+00 1.76 4.412272724e+01 3.949069852e+00 2.608321290e+01 4.426804511e+01 4.441317854e+01 1.545014161e+00 6.410001653e+00 3.054806275e+01 5.416639411e-01 7.389659583e+00 1.78 3.571769325e+01 2.768961055e+00 2.093679375e+01 3.584618349e+01 3.597409474e+01 9.761830067e-01 4.800193135e+00 2.458058213e+01 -3.137511266e-02 5.730032432e+00 1.80 2.888686633e+01 1.793857184e+00 1.672618353e+01 2.899245108e+01 2.909736278e+01 4.800598095e-01 3.462716192e+00 1.973979112e+01 -5.203907263e-01 4.342520713e+00 1.82 2.333098299e+01 9.847384875e-01 1.326878118e+01 2.341067715e+01 2.348982220e+01 4.903555884e-02 2.348436262e+00 1.580603483e+01 -9.364160430e-01 3.179066190e+00 1.84 1.880566716e+01 3.057696665e-01 1.042516810e+01 1.885883536e+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 6.371096428e-01 9.975684680e+00 -1.591079881e+00 1.369849080e+00 1.88 1.208699148e+01 -8.024729740e-01 6.157481501e+00 1.209180418e+01 1.209667597e+01 -9.109737133e-01 -1.789068949e-02 7.817858225e+00 -1.847522068e+00 6.642693174e-01 1.90 9.598391244e+00 -1.265185863e+00 4.571213472e+00 9.584199037e+00 9.570115164e+00 -1.138688001e+00 -5.683886733e-01 6.032773058e+00 -2.065899921e+00 6.063330671e-02 1.92 7.539658318e+00 -1.677426747e+00 3.268028079e+00 7.511083232e+00 7.482611690e+00 -1.329038605e+00 -1.031582647e+00 4.548494224e+00 -2.250496025e+00 -4.582177921e-01 1.94 5.828334111e+00 -2.042474100e+00 2.198501742e+00 5.790209295e+00 5.752164966e+00 -1.486439406e+00 -1.421822028e+00 3.308806272e+00 -2.404846046e+00 -9.053224944e-01 1.96 4.399657426e+00 -2.361717302e+00 1.319296070e+00 4.356473289e+00 4.313336700e+00 -1.615639818e+00 -1.754311742e+00 2.268669704e+00 -2.532247491e+00 -1.291242836e+00 1.98 3.201436644e+00 -2.635463074e+00 5.925694958e-01 3.156894509e+00 3.112361947e+00 -1.722094044e+00 -2.038395986e+00 1.392167595e+00 -2.635707707e+00 -1.624747468e+00 2.00 2.191794027e+00 -2.866520069e+00 -1.343118316e-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 -5.240477482e-01 1.298119092e+00 1.258781496e+00 -1.887131310e+00 -2.486999779e+00 -1.851639325e-03 -2.781985224e+00 -2.161192305e+00 2.04 6.117901720e-01 -3.222751540e+00 -9.583263215e-01 5.776127799e-01 5.433925062e-01 -1.954680323e+00 -2.661232454e+00 -5.708313798e-01 -2.830327362e+00 -2.373690532e+00 2.06 -9.910826545e-03 -3.358801837e+00 -1.332403335e+00 -3.800752544e-02 -6.613998552e-02 -2.016577379e+00 -2.807428612e+00 -1.070020099e+00 -2.866359610e+00 -2.555625450e+00 2.08 -5.643355446e-01 -3.475908777e+00 -1.670217856e+00 -5.857940327e-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 -1.899740163e+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 -2.766588085e+00 -3.881577528e+00 -3.127339785e+00 -2.757510354e+00 -2.748432623e+00 -2.443110724e+00 -3.400404978e+00 -3.128308732e+00 -2.998427692e+00 -3.286804325e+00 2.22 -2.962999104e+00 -3.906522858e+00 -3.280593977e+00 -2.952350889e+00 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