# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Stukowski-A-Sadigh-B-Erhart-P-Caro-A--Fe-Cr # implementation = 2009--Stukowski-A--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 nan nan 0.70 nan nan nan nan nan nan nan nan 1.524593887e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.343640015e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.185956114e+03 nan 0.76 nan nan nan nan nan 9.239425309e+02 nan nan 1.048280075e+03 nan 0.78 nan nan nan nan nan 8.178041130e+02 nan nan 9.277756638e+02 nan 0.80 nan nan nan nan nan 7.251904179e+02 nan nan 8.222118868e+02 nan 0.82 nan nan nan nan nan 6.440953762e+02 nan nan 7.297125647e+02 nan 0.84 nan nan nan nan nan 5.730198893e+02 nan nan 6.483264018e+02 nan 0.86 nan nan nan 1.450399249e+03 1.450704526e+03 5.107849866e+02 nan nan 5.765261240e+02 8.909125831e+02 0.88 nan 7.687343481e+02 nan 1.305816622e+03 1.305941422e+03 4.562813584e+02 nan nan 5.130709505e+02 7.970306649e+02 0.90 nan 6.896654121e+02 nan 1.177655606e+03 1.177556018e+03 4.084763723e+02 7.182363460e+02 nan 4.569452726e+02 7.139316601e+02 0.92 nan 6.186472490e+02 nan 1.063692611e+03 1.063433244e+03 3.664480860e+02 6.442709757e+02 nan 4.072959747e+02 6.401647858e+02 0.94 nan 5.546969799e+02 nan 9.621766090e+02 9.618762611e+02 3.293876787e+02 5.783836717e+02 nan 3.633486007e+02 5.745442782e+02 0.96 nan 4.971985970e+02 nan 8.716723407e+02 8.714288664e+02 2.966510771e+02 5.195385351e+02 nan 3.244399195e+02 5.161634824e+02 0.98 7.909551732e+02 4.455357335e+02 6.911779693e+02 7.908770036e+02 7.907453008e+02 2.676755182e+02 4.667788169e+02 7.208502204e+02 2.899457717e+02 4.642827860e+02 1.00 7.185675070e+02 3.991304865e+02 6.261095662e+02 7.186385407e+02 7.186307274e+02 2.419782929e+02 4.195139950e+02 6.536882432e+02 2.593466198e+02 4.182425976e+02 1.02 6.530697762e+02 3.573522952e+02 5.671933698e+02 6.532706970e+02 6.533905875e+02 2.189514729e+02 3.770414106e+02 5.926399577e+02 2.320521914e+02 3.770209281e+02 1.04 5.932307297e+02 3.196740075e+02 5.134601435e+02 5.935222037e+02 5.937747553e+02 1.981306310e+02 3.387518945e+02 5.369663128e+02 2.075740943e+02 3.397770184e+02 1.06 5.385404553e+02 2.857260293e+02 4.644171724e+02 5.388705669e+02 5.392203669e+02 1.792496130e+02 3.042202998e+02 4.862108105e+02 1.855919713e+02 3.060647400e+02 1.08 4.885855731e+02 2.551615448e+02 4.195938615e+02 4.888759707e+02 4.892278689e+02 1.620641970e+02 2.730725752e+02 4.400038839e+02 1.658481087e+02 2.755318141e+02 1.10 4.430071831e+02 2.275975425e+02 3.787336916e+02 4.432092522e+02 4.434835495e+02 1.464437193e+02 2.449662762e+02 3.979890701e+02 1.481316757e+02 2.478894653e+02 1.12 4.014829758e+02 2.027864565e+02 3.415494824e+02 4.015723324e+02 4.017136139e+02 1.322449020e+02 2.195836819e+02 3.598060377e+02 1.322556151e+02 2.228866540e+02 1.14 3.637061669e+02 1.804386800e+02 3.077800488e+02 3.636718443e+02 3.636583768e+02 1.193473508e+02 1.966596332e+02 3.250686564e+02 1.180321545e+02 2.002873341e+02 1.16 3.293332836e+02 1.603186449e+02 2.771898780e+02 3.291898791e+02 3.290417217e+02 1.076496995e+02 1.759713871e+02 2.934093277e+02 1.053062350e+02 1.798475956e+02 1.18 2.978748372e+02 1.422204039e+02 2.495148120e+02 2.976810469e+02 2.974632821e+02 9.703614757e+01 1.573181169e+02 2.644783689e+02 9.392798348e+01 1.613024079e+02 1.20 2.690623907e+02 1.259768059e+02 2.244768632e+02 2.688726374e+02 2.686480220e+02 8.739782371e+01 1.405151207e+02 2.380855239e+02 8.375170708e+01 1.444934225e+02 1.22 2.427258743e+02 1.114150386e+02 2.018169231e+02 2.425727368e+02 2.423840945e+02 7.864287703e+01 1.253909549e+02 2.140586783e+02 7.464898914e+01 1.293097903e+02 1.24 2.187028134e+02 9.836798267e+01 1.812827482e+02 2.185986238e+02 2.184699058e+02 7.066424292e+01 1.117698144e+02 1.922342723e+02 6.649527611e+01 1.156471407e+02 1.26 1.968273716e+02 8.669032355e+01 1.626184801e+02 1.967759747e+02 1.967145530e+02 6.333802051e+01 9.950309295e+01 1.724447124e+02 5.915419940e+01 1.033901593e+02 1.28 1.769549932e+02 7.625960075e+01 1.456586855e+02 1.769587222e+02 1.769628413e+02 5.662965183e+01 8.847996003e+01 1.545311626e+02 5.254627428e+01 9.241516383e+01 1.30 1.589380291e+02 6.696402808e+01 1.302575442e+02 1.589933738e+02 1.590544738e+02 5.051270040e+01 7.859759018e+01 1.383255162e+02 4.660412254e+01 8.259698789e+01 1.32 1.426070896e+02 5.870440969e+01 1.162952849e+02 1.427067630e+02 1.428165379e+02 4.496200677e+01 6.975793665e+01 1.236715112e+02 4.126878738e+01 7.380988842e+01 1.34 1.278065596e+02 5.138805917e+01 1.036596638e+02 1.279399498e+02 1.280871986e+02 3.994467890e+01 6.186643783e+01 1.104309326e+02 3.648649600e+01 6.593654346e+01 1.36 1.144083757e+02 4.492480413e+01 9.224687697e+01 1.145613812e+02 1.147287365e+02 3.542557920e+01 5.483632266e+01 9.848254195e+01 3.218307495e+01 5.887273491e+01 1.38 1.023011365e+02 3.922267010e+01 8.194848380e+01 1.024558777e+02 1.026217187e+02 3.135775654e+01 4.857195784e+01 8.771842377e+01 2.830052314e+01 5.252983059e+01 1.40 9.137941800e+01 3.418996002e+01 7.266490177e+01 9.151724150e+01 9.166117417e+01 2.769227371e+01 4.295681958e+01 7.803857929e+01 2.480235112e+01 4.683063958e+01 1.42 8.154459139e+01 2.974125698e+01 6.430594661e+01 8.164885159e+01 8.175507909e+01 2.438352591e+01 3.792513734e+01 6.934322192e+01 2.165180973e+01 4.170292712e+01 1.44 7.267184224e+01 2.580443176e+01 5.679594800e+01 7.273231063e+01 7.279178975e+01 2.139517424e+01 3.342173346e+01 6.152191017e+01 1.881683427e+01 3.703201750e+01 1.46 6.466615183e+01 2.231674788e+01 5.006766609e+01 6.467859715e+01 6.468810695e+01 1.869984679e+01 2.939600605e+01 5.448493095e+01 1.627287529e+01 3.276100281e+01 1.48 5.744105522e+01 1.922702538e+01 4.405610251e+01 5.740731647e+01 5.736921309e+01 1.627398692e+01 2.580175899e+01 4.815519653e+01 1.399860641e+01 2.885678078e+01 1.50 5.091630746e+01 1.649158446e+01 3.870093041e+01 5.084378853e+01 5.076581515e+01 1.409638165e+01 2.259632304e+01 4.246258942e+01 1.197252869e+01 2.529253138e+01 1.52 4.502859672e+01 1.407450789e+01 3.394604104e+01 4.492686005e+01 4.481949431e+01 1.214889064e+01 1.974045085e+01 3.735013996e+01 1.017118103e+01 2.205516844e+01 1.54 3.972775546e+01 1.194399959e+01 2.973867716e+01 3.960764247e+01 3.948281832e+01 1.041572392e+01 1.719324484e+01 3.276714857e+01 8.573397097e+00 1.913371795e+01 1.56 3.496914550e+01 1.007183256e+01 2.602735694e+01 3.484248174e+01 3.471294105e+01 8.879939228e+00 1.491546761e+01 2.866783486e+01 7.157832850e+00 1.651575804e+01 1.58 3.070814661e+01 8.434018824e+00 2.276113785e+01 3.058714500e+01 3.046553100e+01 7.522697543e+00 1.287072834e+01 2.500836400e+01 5.905016595e+00 1.418454601e+01 1.60 2.689396897e+01 7.010315947e+00 1.988711041e+01 2.678968410e+01 2.668656443e+01 6.323475579e+00 1.102981159e+01 2.174388264e+01 4.797517068e+00 1.211137106e+01 1.62 2.348016785e+01 5.781640782e+00 1.735516836e+01 2.340110219e+01 2.332410848e+01 5.263976132e+00 9.364189422e+00 1.883357047e+01 3.819686658e+00 1.026716455e+01 1.64 2.042641018e+01 4.725361077e+00 1.512143491e+01 2.037808871e+01 2.033195728e+01 4.329848114e+00 7.851092023e+00 1.624463522e+01 2.955575219e+00 8.625160427e+00 1.66 1.769995427e+01 3.798247449e+00 1.314627061e+01 1.768484527e+01 1.767152560e+01 3.507593315e+00 6.480927289e+00 1.395010597e+01 2.185605806e+00 7.166091992e+00 1.68 1.527359359e+01 2.980813322e+00 1.139476422e+01 1.529088237e+01 1.530946847e+01 2.783800101e+00 5.246110308e+00 1.192544659e+01 1.503124502e+00 5.874788354e+00 1.70 1.312157920e+01 2.261379402e+00 9.835928076e+00 1.316764754e+01 1.321460679e+01 2.144809656e+00 4.140323310e+00 1.014565074e+01 9.002389216e-01 4.734657511e+00 1.72 1.122048714e+01 1.628759243e+00 8.441909159e+00 1.128926538e+01 1.135852124e+01 1.578019374e+00 3.156850556e+00 8.587482827e+00 3.670284043e-01 3.730362655e+00 1.74 9.549998981e+00 1.072695501e+00 7.186112247e+00 9.633183226e+00 9.716371650e+00 1.065871457e+00 2.287822563e+00 7.228691354e+00 -1.050014302e-01 2.849674005e+00 1.76 8.089700452e+00 5.833781811e-01 6.034101573e+00 8.178701960e+00 8.267256425e+00 5.839078659e-01 1.525535554e+00 6.046531025e+00 -5.222374268e-01 2.081891558e+00 1.78 6.817545752e+00 1.516837154e-01 4.975884092e+00 6.904586003e+00 6.990922876e+00 1.534742978e-01 8.619946725e-01 5.020053786e+00 -8.974542583e-01 1.416081320e+00 1.80 5.711634527e+00 -2.319828454e-01 4.008258226e+00 5.790187683e+00 5.868061168e+00 -2.283260899e-01 2.862135921e-01 4.129043046e+00 -1.244118594e+00 8.399695737e-01 1.82 4.750232861e+00 -5.905030655e-01 3.129056746e+00 4.815422132e+00 4.880142392e+00 -5.639823507e-01 -2.115356515e-01 3.353874846e+00 -1.545130966e+00 3.405015287e-01 1.84 3.912990904e+00 -9.294848889e-01 2.337114646e+00 3.961605645e+00 4.010032734e+00 -8.555017654e-01 -6.399632808e-01 2.675195063e+00 -1.805049487e+00 -9.466765469e-02 1.86 3.181381073e+00 -1.250781058e+00 1.631425559e+00 3.211742086e+00 3.242165055e+00 -1.104928316e+00 -1.007092762e+00 2.076438769e+00 -2.028481809e+00 -4.762159986e-01 1.88 2.538593695e+00 -1.555112358e+00 1.009236911e+00 2.550635638e+00 2.562889881e+00 -1.315698813e+00 -1.319924172e+00 1.544378521e+00 -2.220004325e+00 -8.115549209e-01 1.90 1.968441479e+00 -1.845122137e+00 4.672416005e-01 1.963838355e+00 1.959493862e+00 -1.491381823e+00 -1.587139203e+00 1.067498959e+00 -2.383219279e+00 -1.107164048e+00 1.92 1.457184509e+00 -2.141222803e+00 2.213169606e-03 1.439020072e+00 1.421094599e+00 -1.635407309e+00 -1.819793125e+00 6.388992470e-01 -2.520503837e+00 -1.367956134e+00 1.94 9.966252636e-01 -2.414986761e+00 -3.917231430e-01 9.687429141e-01 9.410463167e-01 -1.750978224e+00 -2.034447324e+00 2.541790219e-01 -2.633989986e+00 -1.605212103e+00 1.96 5.815759588e-01 -2.662870737e+00 -7.232894359e-01 5.478554291e-01 5.142446334e-01 -1.841914816e+00 -2.236491479e+00 -1.050773100e-01 -2.725929045e+00 -1.834659989e+00 1.98 2.076309232e-01 -2.881417230e+00 -1.002984780e+00 1.714128535e-01 1.352168752e-01 -1.912965621e+00 -2.413191487e+00 -4.537303377e-01 -2.798366601e+00 -2.038070497e+00 2.00 -1.288414522e-01 -3.069785224e+00 -1.240961528e+00 -1.648387511e-01 -2.008890202e-01 -1.968759645e+00 -2.566450341e+00 -7.889543295e-01 -2.853190054e+00 -2.217288330e+00 2.02 -4.517701014e-01 -3.232922894e+00 -1.459997896e+00 -4.855012171e-01 -5.193251605e-01 -2.020797756e+00 -2.705108888e+00 -1.114745717e+00 -2.897529382e+00 -2.384033946e+00 2.04 -7.793813297e-01 -3.375444442e+00 -1.677218515e+00 -8.094026515e-01 -8.395229383e-01 -2.078207504e+00 -2.835927780e+00 -1.433481012e+00 -2.937609302e+00 -2.547118288e+00 2.06 -1.106036695e+00 -3.499223377e+00 -1.891547739e+00 -1.131308413e+00 -1.156662662e+00 -2.139990350e+00 -2.957091495e+00 -1.739554811e+00 -2.973417542e+00 -2.703468738e+00 2.08 -1.426100185e+00 -3.606848060e+00 -2.116593864e+00 -1.445941108e+00 -1.465836732e+00 -2.204588649e+00 -3.067464667e+00 -2.027583748e+00 -3.004924887e+00 -2.850074127e+00 2.10 -1.733935784e+00 -3.700265491e+00 -2.344530067e+00 -1.748033049e+00 -1.762156964e+00 -2.270457222e+00 -3.166928663e+00 -2.315419732e+00 -3.032436633e+00 -2.983975926e+00 2.12 -2.023857655e+00 -3.781200473e+00 -2.563372876e+00 -2.032280841e+00 -2.040712658e+00 -2.336052896e+00 -3.255518226e+00 -2.577760821e+00 -3.056330720e+00 -3.102252937e+00 2.14 -2.311445423e+00 -3.851090631e+00 -2.770495135e+00 -2.314706396e+00 -2.317968748e+00 -2.399845663e+00 -3.333209237e+00 -2.807692357e+00 -3.076714173e+00 -3.202283597e+00 2.16 -2.574118417e+00 -3.910368978e+00 -2.963298377e+00 -2.572947145e+00 -2.571775880e+00 -2.460305231e+00 -3.400033691e+00 -3.004499099e+00 -3.093279398e+00 -3.282966008e+00 2.18 -2.805765805e+00 -3.958922487e+00 -3.139311319e+00 -2.801087626e+00 -2.796409446e+00 -2.515884695e+00 -3.456147098e+00 -3.170812799e+00 -3.105701468e+00 -3.344246882e+00 2.20 -3.004314074e+00 -3.996459548e+00 -3.296733251e+00 -2.997112427e+00 -2.989910780e+00 -2.565013074e+00 -3.501633763e+00 -3.309636980e+00 -3.113610506e+00 -3.386225993e+00 2.22 -3.168921933e+00 -4.022867569e+00 -3.434545279e+00 -3.160148262e+00 -3.151374591e+00 -2.606324121e+00 -3.536670109e+00 -3.424339038e+00 -3.116915359e+00 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