# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Liyanage-L-S-I-Kim-S-G-Houze-J-et-al--Fe-C # implementation = 2014--Liyanage-L-S-I--Fe-C--LAMMPS--ipr2 # composition = C # 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 1.736019923e+02 nan nan nan nan 0.74 nan nan nan nan nan 1.493103408e+02 nan nan nan nan 0.76 nan nan nan nan nan 1.283135392e+02 nan nan 2.030131236e+02 nan 0.78 nan nan nan nan nan 1.102116490e+02 nan nan 1.806611760e+02 nan 0.80 nan nan nan nan nan 9.463427787e+01 nan nan 1.610960728e+02 nan 0.82 nan nan nan nan nan 8.124426917e+01 nan nan 1.439256193e+02 nan 0.84 nan 2.777121380e+02 nan nan nan 6.973899889e+01 1.601748578e+02 nan 1.288102941e+02 1.815654819e+02 0.86 nan 2.512178132e+02 nan nan nan 5.985001935e+01 1.427653323e+02 nan 1.154583008e+02 1.622667873e+02 0.88 nan 2.274878489e+02 nan nan nan 5.134160145e+01 1.274712677e+02 nan 1.036204129e+02 1.452901732e+02 0.90 nan 2.061512264e+02 nan nan nan 4.400858318e+01 1.139928749e+02 nan 9.308489339e+01 1.303140548e+02 0.92 nan 1.868969854e+02 1.914548092e+02 nan nan 3.767382290e+01 1.020722186e+02 3.337745666e+02 8.367266705e+01 1.170596287e+02 0.94 3.315630152e+02 1.694649935e+02 1.738591190e+02 3.312543131e+02 3.309456109e+02 3.218547276e+01 9.148872104e+01 3.055328552e+02 7.523285100e+01 1.052867437e+02 0.96 3.040757629e+02 1.536378130e+02 1.580664800e+02 3.037858119e+02 3.034958609e+02 2.741422475e+01 8.205476746e+01 2.799665816e+02 6.763869727e+01 9.478973060e+01 0.98 2.791382550e+02 1.392336251e+02 1.438377735e+02 2.788659764e+02 2.785936978e+02 2.325063382e+01 7.361153721e+01 2.567380823e+02 6.078395811e+01 8.539335156e+01 1.00 2.564345151e+02 1.260998740e+02 1.309696419e+02 2.561788900e+02 2.559232648e+02 1.960258717e+01 6.602513873e+01 2.355608442e+02 5.457927955e+01 7.694896932e+01 1.02 2.356956794e+02 1.141070788e+02 1.192897446e+02 2.354557455e+02 2.352158116e+02 1.639296159e+01 5.918308912e+01 2.161923223e+02 4.894855949e+01 6.933100106e+01 1.04 2.166934855e+02 1.031444853e+02 1.086524380e+02 2.164683342e+02 2.162431830e+02 1.355749163e+01 5.299115427e+01 1.984275018e+02 4.382677357e+01 6.243368986e+01 1.06 1.992344250e+02 9.311696338e+01 9.893489750e+01 1.990231983e+02 1.988119717e+02 1.104285656e+01 4.737054808e+01 1.820931954e+02 3.915839249e+01 5.616820621e+01 1.08 1.831545520e+02 8.394236755e+01 9.003367501e+01 1.829564399e+02 1.827583278e+02 8.804984530e+00 4.225547687e+01 1.670430472e+02 3.489598393e+01 5.046007668e+01 1.10 1.683149232e+02 7.554860503e+01 8.186167696e+01 1.681291609e+02 1.679433986e+02 6.807564988e+00 3.759100667e+01 1.531531963e+02 3.099898619e+01 4.524692658e+01 1.12 1.545976278e+02 6.787072824e+01 7.434553442e+01 1.544234934e+02 1.542493590e+02 5.020756242e+00 3.333122702e+01 1.403185445e+02 2.743264161e+01 4.047651666e+01 1.14 1.419023602e+02 6.084982848e+01 6.742333412e+01 1.417391724e+02 1.415759846e+02 3.420072139e+00 2.943766943e+01 1.284495691e+02 2.416707610e+01 3.610504982e+01 1.16 1.301434830e+02 5.443238334e+01 6.104267546e+01 1.299905987e+02 1.298377143e+02 1.985430633e+00 2.587774020e+01 1.174696197e+02 2.117651008e+01 3.209572187e+01 1.18 1.192475269e+02 4.856968063e+01 5.515901822e+01 1.191043391e+02 1.189611514e+02 7.003466289e-01 2.262334533e+01 1.073124339e+02 1.843858635e+01 2.841748996e+01 1.20 1.091510720e+02 4.321730888e+01 4.973428364e+01 1.090170083e+02 1.088829445e+02 -4.487494862e-01 1.965008509e+01 9.791902853e+01 1.593379987e+01 2.504403056e+01 1.22 9.979845342e+01 3.833464380e+01 4.473533728e+01 9.967297335e+01 9.954749329e+01 -1.473253436e+00 1.693646121e+01 8.923561610e+01 1.364488887e+01 2.195260837e+01 1.24 9.113860417e+01 3.388424339e+01 4.013189679e+01 9.102119810e+01 9.090379203e+01 -2.383417037e+00 1.446279908e+01 8.121233162e+01 1.155601537e+01 1.912251366e+01 1.26 8.312383390e+01 2.983150039e+01 3.589572892e+01 8.301402103e+01 8.290420816e+01 -3.188734470e+00 1.221081672e+01 7.380266757e+01 9.652433377e+00 1.653446606e+01 1.28 7.570959441e+01 2.614443220e+01 3.200050413e+01 7.560692126e+01 7.550424811e+01 -3.898000564e+00 1.016352465e+01 6.696324865e+01 7.920407375e+00 1.417051131e+01 1.30 6.885427855e+01 2.279348838e+01 2.842167277e+01 6.875831745e+01 6.866235635e+01 -4.519359044e+00 8.305138495e+00 6.065362692e+01 6.347141976e+00 1.201393384e+01 1.32 6.251903175e+01 1.975137175e+01 2.513634910e+01 6.242937942e+01 6.233972708e+01 -5.060347601e+00 6.620997367e+00 5.483609018e+01 4.920717226e+00 1.004917498e+01 1.34 5.666757537e+01 1.699287257e+01 2.212320274e+01 5.658385156e+01 5.650012775e+01 -5.527939961e+00 5.097487552e+00 4.947548257e+01 3.630028956e+00 8.261756379e+00 1.36 5.126604110e+01 1.449471446e+01 1.936235699e+01 5.118788734e+01 5.110973359e+01 -5.928585163e+00 3.721971266e+00 4.453903667e+01 2.464733694e+00 6.638208413e+00 1.38 4.628281584e+01 1.223541161e+01 1.683529356e+01 4.620989423e+01 4.613697263e+01 -6.268244213e+00 2.482720082e+00 3.999621639e+01 1.415197699e+00 5.166003110e+00 1.40 4.168839632e+01 1.019513614e+01 1.452476350e+01 4.162038838e+01 4.155238044e+01 -6.552424299e+00 1.368852776e+00 3.581857005e+01 4.724497317e-01 3.833491457e+00 1.42 3.745525285e+01 8.355595130e+00 1.241470372e+01 3.739185844e+01 3.732846403e+01 -6.786210714e+00 3.702772698e-01 3.197959278e+01 -3.718627807e-01 2.629844732e+00 1.44 3.355770173e+01 6.699916541e+00 1.049015886e+01 3.349863805e+01 3.343957436e+01 -6.974296636e+00 -5.223635842e-01 2.845459790e+01 -1.125514482e+00 1.544999623e+00 1.46 2.997178568e+01 5.212543364e+00 8.737208229e+00 2.991678628e+01 2.986178687e+01 -7.121010908e+00 -1.317742606e+00 2.522059652e+01 -1.795740002e+00 5.696069108e-01 1.48 2.667516181e+01 3.879135475e+00 7.142897317e+00 2.662397569e+01 2.657278957e+01 -7.230343948e+00 -2.023895536e+00 2.225618500e+01 -2.389269279e+00 -3.050165378e-01 1.50 2.364699673e+01 2.686478611e+00 5.695173808e+00 2.359938750e+01 2.355177826e+01 -7.305971910e+00 -2.648265138e+00 1.954143961e+01 -2.912360509e+00 -1.086932646e+00 1.52 2.086786831e+01 1.622399965e+00 4.382827639e+00 2.082361333e+01 2.077935834e+01 -7.351279203e+00 -3.197742360e+00 1.705781806e+01 -3.370830902e+00 -1.783624094e+00 1.54 1.831967362e+01 6.756899303e-01 3.195434950e+00 1.827856325e+01 1.823745288e+01 -7.369379492e+00 -3.678704742e+00 1.478806739e+01 -3.770085432e+00 -2.402033547e+00 1.56 1.598554275e+01 -1.639704422e-01 2.123305632e+00 1.594737965e+01 1.590921654e+01 -7.363135264e+00 -4.097052251e+00 1.271613790e+01 -4.115143707e+00 -2.948600326e+00 1.58 1.384975817e+01 -9.060766955e-01 1.157434272e+00 1.381435655e+01 1.377895494e+01 -7.335176058e+00 -4.458240723e+00 1.082710256e+01 -4.410665121e+00 -3.429294683e+00 1.60 1.189767910e+01 -1.559363285e+00 2.894542663e-01 1.186486413e+01 1.183204915e+01 -7.287915455e+00 -4.767313048e+00 9.107081781e+00 -4.660972406e+00 -3.849649828e+00 1.62 1.011567084e+01 -2.131861344e+00 -4.884050949e-01 1.008527798e+01 1.005488512e+01 -7.223566893e+00 -5.028928256e+00 7.543173040e+00 -4.870073680e+00 -4.214791857e+00 1.64 8.491038506e+00 -2.630952192e+00 -1.183358755e+00 8.462912969e+00 8.434787431e+00 -7.144158408e+00 -5.247388649e+00 6.123385084e+00 -5.041683121e+00 -4.529467713e+00 1.66 7.011965094e+00 -3.063416927e+00 -1.802103415e+00 6.985961262e+00 6.959957430e+00 -7.051546340e+00 -5.426665089e+00 4.836576471e+00 -5.179240337e+00 -4.798071307e+00 1.68 5.667453428e+00 -3.435482342e+00 -2.350852610e+00 5.643434349e+00 5.619415270e+00 -6.947428111e+00 -5.570420582e+00 3.672398112e+00 -5.285928530e+00 -5.024667911e+00 1.70 4.447271889e+00 -3.752863479e+00 -2.835369502e+00 4.425108781e+00 4.402945673e+00 -6.833354098e+00 -5.682032250e+00 2.621239582e+00 -5.364691531e+00 -5.213016945e+00 1.72 3.341903608e+00 -4.020803011e+00 -3.260997530e+00 3.321475394e+00 3.301047180e+00 -6.710738695e+00 -5.764611825e+00 1.674178965e+00 -5.418249774e+00 -5.366593246e+00 1.74 2.342498929e+00 -4.244107730e+00 -3.632689052e+00 2.323691798e+00 2.304884668e+00 -6.580870589e+00 -5.821024725e+00 8.229359866e-01 -5.449115275e+00 -5.488606934e+00 1.76 1.440830936e+00 -4.427182305e+00 -3.955032112e+00 1.423537929e+00 1.406244923e+00 -6.444922325e+00 -5.853907843e+00 5.982823802e-02 -5.459605688e+00 -5.582021949e+00 1.78 6.292538480e-01 -4.574060554e+00 -4.232275449e+00 6.133744652e-01 5.974950825e-01 -6.303959198e+00 -5.865686111e+00 -6.222697092e-01 -5.451857483e+00 -5.649573356e+00 1.80 -9.933589878e-02 -4.688434359e+00 -4.468351855e+00 -1.138960683e-01 -1.284562379e-01 -6.158947510e+00 -5.858587924e+00 -1.229964492e+00 -5.427838303e+00 -5.693783492e+00 1.82 -7.515360466e-01 -4.773680448e+00 -4.666900002e+00 -7.648656744e-01 -7.781953021e-01 -6.010762253e+00 -5.834659505e+00 -1.769379614e+00 -5.389358554e+00 -5.716977031e+00 1.84 -1.333472556e+00 -4.832885150e+00 -4.831284814e+00 -1.345654904e+00 -1.357837252e+00 -5.860194237e+00 -5.795778281e+00 -2.246188744e+00 -5.338082268e+00 -5.721295038e+00 1.86 -1.850831431e+00 -4.868867311e+00 -4.964616505e+00 -1.861944665e+00 -1.873057899e+00 -5.707956713e+00 -5.743665327e+00 -2.665646799e+00 -5.275537285e+00 -5.708708080e+00 1.88 -2.308888484e+00 -4.884199475e+00 -5.069768344e+00 -2.319005966e+00 -2.329123449e+00 -5.554691526e+00 -5.679896954e+00 -3.032618959e+00 -5.203124793e+00 -5.681028446e+00 1.90 -2.712537145e+00 -4.881227474e+00 -5.149393237e+00 -2.721727716e+00 -2.730918286e+00 -5.400974815e+00 -5.605915484e+00 -3.351607754e+00 -5.122128273e+00 -5.639921546e+00 1.92 -3.066314476e+00 -4.862088541e+00 -5.205939217e+00 -3.074642712e+00 -3.082970948e+00 -5.247322311e+00 -5.523039274e+00 -3.626778333e+00 -5.033721861e+00 -5.586916533e+00 1.94 -3.374425465e+00 -4.828728044e+00 -5.241663881e+00 -3.381951930e+00 -3.389478396e+00 -5.094194245e+00 -5.432472048e+00 -3.861982051e+00 -4.938978193e+00 -5.523416208e+00 1.96 -3.640765745e+00 -4.782914956e+00 -5.258647880e+00 -3.647547225e+00 -3.654328705e+00 -4.941999902e+00 -5.335311556e+00 -4.060778471e+00 -4.838875737e+00 -5.450706243e+00 1.98 -3.868942811e+00 -4.726256140e+00 -5.258807485e+00 -3.875032532e+00 -3.881122254e+00 -4.791101841e+00 -5.232557644e+00 -4.226455890e+00 -4.734305655e+00 -5.369963776e+00 2.00 -4.062295845e+00 -4.660209555e+00 -5.243906325e+00 -4.067743686e+00 -4.073191527e+00 -4.641819798e+00 -5.125119734e+00 -4.362050481e+00 -4.626078222e+00 -5.282265419e+00 2.02 -4.223914240e+00 -4.586096438e+00 -5.215566321e+00 -4.228766925e+00 -4.233619609e+00 -4.494434312e+00 -5.013823791e+00 -4.470364150e+00 -4.514928823e+00 -5.188594713e+00 2.04 -4.356654893e+00 -4.505112555e+00 -5.175277885e+00 -4.360956179e+00 -4.365257465e+00 -4.349190073e+00 -4.899418782e+00 -4.553981175e+00 -4.401523563e+00 -5.089849066e+00 2.06 -4.463158358e+00 -4.418338594e+00 -5.124409432e+00 -4.466949212e+00 -4.470740067e+00 -4.206299022e+00 -4.782582681e+00 -4.615283733e+00 -4.286464497e+00 -4.986846214e+00 2.08 -4.545863930e+00 -4.326749739e+00 -5.064216237e+00 -4.549182693e+00 -4.552501457e+00 -4.065943218e+00 -4.663928044e+00 -4.656466360e+00 -4.170294524e+00 -4.880330236e+00 2.10 -4.607023726e+00 -4.231224515e+00 -4.995848697e+00 -4.609906268e+00 -4.612788811e+00 -3.928277491e+00 -4.544007176e+00 -4.679549436e+00 -4.053501940e+00 -4.770977142e+00 2.12 -4.648715824e+00 -4.132552938e+00 -4.920360021e+00 -4.651195694e+00 -4.653675563e+00 -3.793431889e+00 -4.423316935e+00 -4.686391745e+00 -3.936524700e+00 -4.659400076e+00 2.14 -4.672856533e+00 -4.031444031e+00 -4.838713399e+00 -4.674965093e+00 -4.677073653e+00 -3.661513941e+00 -4.302303183e+00 -4.678702181e+00 -3.819754376e+00 -4.546154157e+00 2.16 -4.681211836e+00 -3.928532754e+00 -4.751788673e+00 -4.682978397e+00 -4.684744958e+00 -3.532610747e+00 -4.181364911e+00 -4.658050645e+00 -3.703539854e+00 -4.431740966e+00 2.18 -4.675408067e+00 -3.824386380e+00 -4.660388555e+00 -4.676860010e+00 -4.678311953e+00 -3.406790898e+00 -4.060858067e+00 -4.625878202e+00 -3.588190773e+00 -4.316612735e+00 2.20 -4.656941877e+00 -3.719510379e+00 -4.565244403e+00 -4.658104769e+00 -4.659267662e+00 -3.284106260e+00 -3.941099102e+00 -4.583506530e+00 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