# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-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 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 6.233516426e+02 nan nan nan nan 0.80 nan nan nan nan nan 5.696844941e+02 nan nan nan nan 0.82 nan nan nan nan nan 5.213258153e+02 nan nan 6.325071328e+02 nan 0.84 nan nan nan nan nan 4.776659009e+02 nan nan 5.749895744e+02 nan 0.86 nan nan nan nan nan 4.381758116e+02 nan nan 5.219833795e+02 nan 0.88 nan nan nan nan nan 4.023954196e+02 nan nan 4.732595526e+02 nan 0.90 nan 7.713190977e+02 nan nan nan 3.699233577e+02 nan nan 4.287951164e+02 6.350619005e+02 0.92 nan 7.008495797e+02 nan nan nan 3.404085387e+02 6.503343667e+02 nan 3.884353069e+02 5.809036030e+02 0.94 nan 6.342874386e+02 nan nan nan 3.135429876e+02 5.919476026e+02 nan 3.519455934e+02 5.321038468e+02 0.96 nan 5.715976501e+02 nan nan nan 2.890558044e+02 5.392760113e+02 nan 3.190480363e+02 4.880812972e+02 0.98 nan 5.134073615e+02 7.737601747e+02 nan nan 2.667080635e+02 4.914775851e+02 nan 2.894462280e+02 4.483145722e+02 1.00 nan 4.599916355e+02 7.082977817e+02 nan 7.768376828e+02 2.462885029e+02 4.475983866e+02 7.205503992e+02 2.628419971e+02 4.123387356e+02 1.02 7.197157396e+02 4.113839855e+02 6.485184591e+02 7.196725712e+02 7.196294028e+02 2.276142191e+02 4.074940498e+02 6.637809715e+02 2.389494984e+02 3.797474579e+02 1.04 6.651830355e+02 3.671877388e+02 5.926403329e+02 6.651406719e+02 6.650983082e+02 2.098102333e+02 3.702672332e+02 6.085658557e+02 2.169639116e+02 3.491122847e+02 1.06 6.107964607e+02 3.269080988e+02 5.388892670e+02 6.107548921e+02 6.107133235e+02 1.920357993e+02 3.349979185e+02 5.548344250e+02 1.961119249e+02 3.190712821e+02 1.08 5.578242960e+02 2.904574540e+02 4.879866031e+02 5.577835128e+02 5.577427296e+02 1.747164058e+02 3.019972784e+02 5.035079711e+02 1.765792598e+02 2.901760367e+02 1.10 5.071653437e+02 2.576651740e+02 4.403865801e+02 5.071253363e+02 5.070853289e+02 1.581539519e+02 2.714335212e+02 4.551798649e+02 1.584702105e+02 2.628057148e+02 1.12 4.593909536e+02 2.283045781e+02 3.963161070e+02 4.593517124e+02 4.593124711e+02 1.425407811e+02 2.433567928e+02 4.101845042e+02 1.418188469e+02 2.371865677e+02 1.14 4.148284677e+02 2.021182947e+02 3.558385028e+02 4.147899829e+02 4.147514982e+02 1.279875482e+02 2.177345082e+02 3.686672177e+02 1.266098830e+02 2.134322228e+02 1.16 3.736259132e+02 1.788362685e+02 3.189020479e+02 3.735881754e+02 3.735504376e+02 1.145448252e+02 1.944779835e+02 3.306379001e+02 1.127943783e+02 1.915747142e+02 1.18 3.358018421e+02 1.581882680e+02 2.853766672e+02 3.357648416e+02 3.357278410e+02 1.022197788e+02 1.734622707e+02 2.960118907e+02 1.003014921e+02 1.715882035e+02 1.20 3.012835723e+02 1.399122696e+02 2.550814556e+02 3.012472994e+02 3.012110266e+02 9.098896445e+01 1.545408262e+02 2.646409250e+02 8.904717199e+01 1.534070576e+02 1.22 2.699363218e+02 1.237598538e+02 2.278051221e+02 2.699007672e+02 2.698652125e+02 8.080807201e+01 1.375562198e+02 2.363363627e+02 7.894051739e+01 1.369395121e+02 1.24 2.415851909e+02 1.094994167e+02 2.033209731e+02 2.415503450e+02 2.415154990e+02 7.161928385e+01 1.223478094e+02 2.108864341e+02 6.988835398e+01 1.220778890e+02 1.26 2.160316150e+02 9.691781539e+01 1.813977112e+02 2.159974681e+02 2.159633213e+02 6.335678400e+01 1.087571285e+02 1.880688620e+02 6.179841361e+01 1.087061577e+02 1.28 1.930655140e+02 8.582091887e+01 1.618070406e+02 1.930320568e+02 1.929985996e+02 5.595082905e+01 9.663154967e+01 1.676599325e+02 5.458148008e+01 9.670544130e+01 1.30 1.724741014e+02 7.603337855e+01 1.443288672e+02 1.724413245e+02 1.724085476e+02 4.933070309e+01 8.582666109e+01 1.494408490e+02 4.815284237e+01 8.595794240e+01 1.32 1.540481326e+02 6.739788565e+01 1.287546888e+02 1.540160266e+02 1.539839206e+02 4.342682183e+01 7.620766689e+01 1.332020285e+02 4.243319091e+01 7.634966160e+01 1.34 1.375861953e+02 5.977411350e+01 1.148896342e+02 1.375547508e+02 1.375233063e+02 3.817218063e+01 6.765008800e+01 1.187458505e+02 3.734908627e+01 6.777220897e+01 1.36 1.228975219e+02 5.303748074e+01 1.025535149e+02 1.228667296e+02 1.228359374e+02 3.350328601e+01 6.003999058e+01 1.058882555e+02 3.283311469e+01 6.012393128e+01 1.38 1.098036819e+02 4.707786659e+01 9.158115967e+01 1.097735326e+02 1.097433833e+02 2.936072857e+01 5.327383422e+01 9.445949896e+01 2.882377252e+01 5.331049479e+01 1.40 9.813945648e+01 4.179828706e+01 8.182224540e+01 9.810994099e+01 9.808042550e+01 2.568948271e+01 4.725800223e+01 8.430430323e+01 2.526524489e+01 4.724512023e+01 1.42 8.775312561e+01 3.711359746e+01 7.314078092e+01 8.772423477e+01 8.769534392e+01 2.243900861e+01 4.190815522e+01 7.528156301e+01 2.210715555e+01 4.184856026e+01 1.44 7.850631739e+01 3.294925560e+01 6.541436400e+01 7.847804209e+01 7.844976680e+01 1.956320997e+01 3.714863743e+01 6.726376742e+01 1.930424768e+01 3.704883590e+01 1.46 7.027350644e+01 2.924015615e+01 5.853330927e+01 7.024583766e+01 7.021816888e+01 1.702028053e+01 3.291184102e+01 6.013620548e+01 1.681601632e+01 3.278070939e+01 1.48 6.294136371e+01 2.592954524e+01 5.239969782e+01 6.291429248e+01 6.288722124e+01 1.477249104e+01 2.913755289e+01 5.379609613e+01 1.460632662e+01 2.898525219e+01 1.50 5.640800248e+01 2.296806007e+01 4.692640157e+01 5.638151987e+01 5.635503727e+01 1.278593644e+01 2.577229426e+01 4.815167971e+01 1.264304819e+01 2.560944653e+01 1.52 5.058216041e+01 2.031285109e+01 4.203611915e+01 5.055625759e+01 5.053035477e+01 1.103026185e+01 2.276870484e+01 4.312129565e+01 1.089769016e+01 2.260576056e+01 1.54 4.538235239e+01 1.792679040e+01 3.766044275e+01 4.535702057e+01 4.533168874e+01 9.478379170e+00 2.008494740e+01 3.863247265e+01 9.345055449e+00 1.993170600e+01 1.56 4.073602617e+01 1.577777455e+01 3.373897325e+01 4.071125662e+01 4.068648707e+01 8.106185408e+00 1.768412553e+01 3.462105111e+01 7.962916334e+00 1.754939041e+01 1.58 3.657874894e+01 1.383806845e+01 3.021849294e+01 3.655453303e+01 3.653031711e+01 6.892289214e+00 1.553376471e+01 3.103035618e+01 6.731687721e+00 1.542511734e+01 1.60 3.285342701e+01 1.208373826e+01 2.705219837e+01 3.282975614e+01 3.280608527e+01 5.817749534e+00 1.360533154e+01 2.781040873e+01 5.634138773e+00 1.352898991e+01 1.62 2.950957187e+01 1.049415821e+01 2.419899757e+01 2.948643753e+01 2.946330320e+01 4.865830272e+00 1.187377910e+01 2.491722461e+01 4.655133903e+00 1.183453242e+01 1.64 2.650260206e+01 9.051573675e+00 2.162287028e+01 2.647999582e+01 2.645738958e+01 4.021766915e+00 1.031704321e+01 2.231216340e+01 3.781390099e+00 1.031833090e+01 1.66 2.379321105e+01 7.740663523e+00 1.929228718e+01 2.377112454e+01 2.374903803e+01 3.272555254e+00 8.915635668e+00 1.996132888e+01 3.001209315e+00 8.959707520e+00 1.68 2.134681849e+01 6.548059835e+00 1.717968736e+01 2.132524342e+01 2.130366834e+01 2.606767947e+00 7.652364019e+00 1.783503628e+01 2.304236060e+00 7.740437709e+00 1.70 1.913304722e+01 5.462064726e+00 1.526100995e+01 1.911197537e+01 1.909090352e+01 2.014379737e+00 6.512075203e+00 1.590732461e+01 1.681309938e+00 6.644480812e+00 1.72 1.712524784e+01 4.472434706e+00 1.351527543e+01 1.710467107e+01 1.708409430e+01 1.486608561e+00 5.481429127e+00 1.415551780e+01 1.124327690e+00 5.657735287e+00 1.74 1.530007124e+01 3.570191715e+00 1.192421194e+01 1.527998148e+01 1.525989173e+01 1.015772692e+00 4.548694366e+00 1.255983310e+01 6.261234190e-01 4.767818494e+00 1.76 1.363708415e+01 2.747466401e+00 1.047187308e+01 1.361747343e+01 1.359786271e+01 5.951622900e-01 3.703539257e+00 1.110303206e+01 1.803635927e-01 3.963868650e+00 1.78 1.211842704e+01 1.997351714e+00 9.144224974e+00 1.209928744e+01 1.208014784e+01 2.189246353e-01 2.936880749e+00 9.770112017e+00 -2.185539969e-01 3.236375529e+00 1.80 1.072850913e+01 1.313772468e+00 7.928886470e+00 1.070983283e+01 1.069115653e+01 -1.180381128e-01 2.240743703e+00 8.548032495e+00 -5.755797214e-01 2.577029046e+00 1.82 9.453732684e+00 6.913390268e-01 6.814937478e+00 9.435511928e+00 9.417291172e+00 -4.201600238e-01 1.608124967e+00 7.425470464e+00 -8.950797212e-01 1.978560041e+00 1.84 8.282251062e+00 1.251600951e-01 5.792749089e+00 8.264478185e+00 8.246705308e+00 -6.912921047e-01 1.032877155e+00 6.392619754e+00 -1.180902869e+00 1.434613833e+00 1.86 7.203754923e+00 -3.892273286e-01 4.853832688e+00 7.186422338e+00 7.169089752e+00 -9.347737865e-01 5.096064390e-01 5.440992359e+00 -1.436440509e+00 9.396404885e-01 1.88 6.209287334e+00 -8.558977328e-01 3.990706009e+00 6.192387534e+00 6.175487733e+00 -1.153494714e+00 3.358357289e-02 4.563242184e+00 -1.664678446e+00 4.887997713e-01 1.90 5.291095842e+00 -1.278570965e+00 3.196774683e+00 5.274621402e+00 5.258146963e+00 -1.349944192e+00 -3.993310250e-01 3.753026140e+00 -1.868239245e+00 7.788473938e-02 1.92 4.442463049e+00 -1.660647659e+00 2.466227380e+00 4.426406628e+00 4.410350207e+00 -1.526267770e+00 -7.927861821e-01 3.004869361e+00 -2.049429474e+00 -2.967652429e-01 1.94 3.657567469e+00 -2.005242064e+00 1.793943015e+00 3.641921806e+00 3.626276143e+00 -1.684313702e+00 -1.150027236e+00 2.314050196e+00 -2.210278998e+00 -6.383361968e-01 1.96 2.931370794e+00 -2.315220230e+00 1.175408903e+00 2.916128711e+00 2.900886628e+00 -1.825670583e+00 -1.473944691e+00 1.676487680e+00 -2.352573309e+00 -9.495978720e-01 1.98 2.259518520e+00 -2.593211473e+00 6.066483156e-01 2.244672922e+00 2.229827324e+00 -1.951700508e+00 -1.767113965e+00 1.088558315e+00 -2.477882189e+00 -1.232955273e+00 2.00 1.638252581e+00 -2.841623217e+00 8.415652350e-02 1.623796455e+00 1.609340329e+00 -2.063568208e+00 -2.031829718e+00 5.469740648e-01 -2.587585075e+00 -1.490494060e+00 2.02 1.064313559e+00 -3.062663738e+00 -3.951696739e-01 1.050239975e+00 1.036166391e+00 -2.162273639e+00 -2.270134796e+00 4.873721333e-02 -2.682898752e+00 -1.724031041e+00 2.04 5.347416665e-01 -3.258375697e+00 -8.341695051e-01 5.210437782e-01 5.073458899e-01 -2.248718291e+00 -2.483898683e+00 -4.089335504e-01 -2.764927327e+00 -1.935215162e+00 2.06 4.675736875e-02 -3.430646820e+00 -1.235502328e+00 3.342841168e-02 2.009945461e-02 -2.323744941e+00 -2.674872962e+00 -8.286500282e-01 -2.834689532e+00 -2.125588589e+00 2.08 -4.022543824e-01 -3.581228043e+00 -1.601662315e+00 -4.152210895e-01 -4.281877966e-01 -2.388142837e+00 -2.844698744e+00 -1.212866417e+00 -2.893134134e+00 -2.296595874e+00 2.10 -8.147539176e-01 -3.711754215e+00 -1.934988830e+00 -8.273649734e-01 -8.399760291e-01 -2.442650869e+00 -2.994910692e+00 -1.563890133e+00 -2.941146480e+00 -2.449590035e+00 2.12 -1.193055988e+00 -3.823751839e+00 -2.237676104e+00 -1.205317908e+00 -1.217579828e+00 -2.487960504e+00 -3.126943682e+00 -1.883903223e+00 -2.979552532e+00 -2.585838246e+00 2.14 -1.539338358e+00 -3.918646047e+00 -2.511782281e+00 -1.551257576e+00 -1.563176794e+00 -2.524718553e+00 -3.242139115e+00 -2.174961778e+00 -3.009122666e+00 -2.706527163e+00 2.16 -1.855650494e+00 -3.997767186e+00 -2.759237882e+00 -1.867233361e+00 -1.878816229e+00 -2.553530180e+00 -3.341751030e+00 -2.438994312e+00 -3.030575378e+00 -2.812768234e+00 2.18 -2.143935939e+00 -4.062358760e+00 -2.981853702e+00 -2.155188725e+00 -2.166441511e+00 -2.574964811e+00 -3.426956565e+00 -2.677814610e+00 -3.044584311e+00 -2.905609780e+00 2.20 -2.406036550e+00 -4.113582752e+00 -3.181328215e+00 -2.416965441e+00 -2.427894333e+00 -2.589559341e+00 -3.498860175e+00 -2.893128309e+00 -3.051780649e+00 -2.986039944e+00 2.22 -2.643680869e+00 -4.152522662e+00 -3.359254492e+00 -2.654291972e+00 -2.664903075e+00 -2.597812834e+00 -3.558492377e+00 -3.086533822e+00 -3.052751460e+00 -3.054981647e+00 2.24 -2.858490403e+00 -4.180185524e+00 -3.517126674e+00 -2.868789742e+00 -2.879089081e+00 -2.600188391e+00 -3.606814287e+00 -3.259528915e+00 -3.048042426e+00 -3.113296441e+00 2.26 -3.051986400e+00 -4.197496925e+00 -3.656346046e+00 -3.061979919e+00 -3.071973437e+00 -2.597115096e+00 -3.644722166e+00 -3.413517131e+00 -3.038160623e+00 -3.161788566e+00 2.28 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