# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C # implementation = 2014--Kang-K-H--Si-C--LAMMPS--ipr1 # composition = Si # 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 3.977408655e+02 nan nan nan nan 0.68 nan nan nan nan nan 3.751820133e+02 nan nan nan nan 0.70 nan nan nan nan nan 3.538028045e+02 nan nan 4.288698313e+02 nan 0.72 nan nan nan nan nan 3.335444942e+02 nan nan 4.017085718e+02 nan 0.74 nan nan nan nan nan 3.143511691e+02 nan nan 3.761343081e+02 nan 0.76 nan nan nan nan nan 2.961696138e+02 nan nan 3.520581953e+02 nan 0.78 nan 1.020418686e+03 nan nan nan 2.789491843e+02 4.257018365e+02 nan 3.293962303e+02 6.053391529e+02 0.80 nan 9.603187210e+02 nan nan nan 2.626416859e+02 3.998076970e+02 nan 3.080689851e+02 5.735525719e+02 0.82 nan 9.036751855e+02 nan nan nan 2.472012582e+02 3.753461596e+02 nan 2.880013514e+02 5.433370611e+02 0.84 nan 8.502849445e+02 8.776587763e+02 nan nan 2.325842645e+02 3.522411403e+02 nan 2.691222939e+02 5.146175550e+02 0.86 1.048511069e+03 7.999573616e+02 8.308547546e+02 9.484571846e+02 8.484033001e+02 2.187491867e+02 3.304201124e+02 1.001174005e+03 2.513646133e+02 4.873224986e+02 0.88 9.944351207e+02 7.525135217e+02 7.864204222e+02 9.032241687e+02 8.120132167e+02 2.056565252e+02 3.098138805e+02 9.484044406e+02 2.346647169e+02 4.613836856e+02 0.90 9.430070592e+02 7.077854943e+02 7.442390674e+02 8.599559250e+02 7.769047908e+02 1.932687029e+02 2.903564009e+02 8.982733994e+02 2.189623976e+02 4.367361041e+02 0.92 8.941010078e+02 6.656156353e+02 7.041996352e+02 8.185608664e+02 7.430207249e+02 1.815499742e+02 2.719846673e+02 8.506528340e+02 2.042006231e+02 4.133177890e+02 0.94 8.475969601e+02 6.258559304e+02 6.661964553e+02 7.789552836e+02 7.103136071e+02 1.704663382e+02 2.546386747e+02 8.054207934e+02 1.903253382e+02 3.910696819e+02 0.96 8.033805107e+02 5.883673758e+02 6.301289841e+02 7.410621172e+02 6.787437237e+02 1.599854556e+02 2.382614724e+02 7.624611367e+02 1.772852830e+02 3.699354964e+02 0.98 7.613425969e+02 5.530193979e+02 5.959015582e+02 7.048099053e+02 6.482772138e+02 1.500765697e+02 2.227993009e+02 7.216632598e+02 1.650318332e+02 3.498615904e+02 1.00 7.213792529e+02 5.196893095e+02 5.634231606e+02 6.701319005e+02 6.188845482e+02 1.407104311e+02 2.082017976e+02 6.829218353e+02 1.535188667e+02 3.307968437e+02 1.02 6.833913749e+02 4.882618004e+02 5.326071965e+02 6.369653361e+02 5.905392973e+02 1.318592259e+02 1.944222388e+02 6.461365644e+02 1.427026606e+02 3.126925415e+02 1.04 6.472844970e+02 4.586284615e+02 5.033712818e+02 6.052508260e+02 5.632171551e+02 1.234965071e+02 1.814177763e+02 6.112119399e+02 1.325418218e+02 2.955022629e+02 1.06 6.129685771e+02 4.306873415e+02 4.756370400e+02 5.749318800e+02 5.368951829e+02 1.155971296e+02 1.691496201e+02 5.780570208e+02 1.229972509e+02 2.791817749e+02 1.08 5.803577929e+02 4.043425340e+02 4.493299095e+02 5.459545151e+02 5.115512372e+02 1.081371874e+02 1.575831137e+02 5.465852172e+02 1.140321370e+02 2.636889308e+02 1.10 5.493703471e+02 3.795037965e+02 4.243789606e+02 5.182669485e+02 4.871635499e+02 1.010939550e+02 1.466876633e+02 5.167140848e+02 1.056119784e+02 2.489835737e+02 1.12 5.199282811e+02 3.560862040e+02 4.007167200e+02 4.918193568e+02 4.637104324e+02 9.444583035e+01 1.364364870e+02 4.883651300e+02 9.770462102e+01 2.350274440e+02 1.14 4.919572981e+02 3.340098437e+02 3.782790057e+02 4.665636888e+02 4.411700795e+02 8.817228119e+01 1.268061767e+02 4.614636227e+02 9.028030765e+01 2.217840916e+02 1.16 4.653865932e+02 3.131995596e+02 3.570047696e+02 4.424535213e+02 4.195204493e+02 8.225379359e+01 1.177760840e+02 4.359384194e+02 8.331172714e+01 2.092187915e+02 1.18 4.401486922e+02 2.935847557e+02 3.368359501e+02 4.194439481e+02 3.987392040e+02 7.667182309e+01 1.093275629e+02 4.117217930e+02 7.677405529e+01 1.972984639e+02 1.20 4.161792971e+02 2.750992585e+02 3.177173360e+02 3.974914959e+02 3.788036947e+02 7.140874798e+01 1.014431227e+02 3.887492717e+02 7.064497164e+01 1.859915976e+02 1.22 3.934171393e+02 2.576812239e+02 2.995964441e+02 3.765540595e+02 3.596909796e+02 6.644782488e+01 9.410555193e+01 3.669594852e+02 6.490463145e+01 1.752681771e+02 1.24 3.718038388e+02 2.412730559e+02 2.824234134e+02 3.565908517e+02 3.413778647e+02 6.177314639e+01 8.729708322e+01 3.462940176e+02 5.953556331e+01 1.650996127e+02 1.26 3.512837704e+02 2.258212808e+02 2.661509164e+02 3.375623655e+02 3.238409605e+02 5.736960068e+01 8.099866245e+01 3.266972687e+02 5.452245960e+01 1.554586743e+02 1.28 3.318039364e+02 2.112763210e+02 2.507340865e+02 3.194303424e+02 3.070567484e+02 5.322283311e+01 7.518937947e+01 3.081163215e+02 4.985183164e+01 1.463194283e+02 1.30 3.133138451e+02 1.975921184e+02 2.361304532e+02 3.021577482e+02 2.910016513e+02 4.931920946e+01 6.984610371e+01 2.905008194e+02 4.551151987e+01 1.376571771e+02 1.32 2.957653966e+02 1.847255950e+02 2.222998736e+02 2.857087526e+02 2.756521086e+02 4.564578115e+01 6.494335198e+01 2.738028532e+02 4.149007814e+01 1.294484028e+02 1.34 2.791127763e+02 1.726359782e+02 2.092044417e+02 2.700487139e+02 2.609846515e+02 4.219025185e+01 6.045339709e+01 2.579768623e+02 3.777608511e+01 1.216707143e+02 1.36 2.633123597e+02 1.612840599e+02 1.968083616e+02 2.551441702e+02 2.469759808e+02 3.894094589e+01 5.634660651e+01 2.429795551e+02 3.435746521e+01 1.143028001e+02 1.38 2.483226301e+02 1.506314881e+02 1.850777736e+02 2.409628402e+02 2.336030502e+02 3.588677799e+01 5.259198035e+01 2.287698537e+02 3.122091664e+01 1.073243879e+02 1.40 2.341041175e+02 1.406401930e+02 1.739805379e+02 2.274736384e+02 2.208431592e+02 3.301722457e+01 4.915784092e+01 2.153088689e+02 2.835153939e+01 1.007162141e+02 1.42 2.206193607e+02 1.312720324e+02 1.634859928e+02 2.146467107e+02 2.086740606e+02 3.032229629e+01 4.601261153e+01 2.025599038e+02 2.573273051e+01 9.446000549e+01 1.44 2.078328987e+02 1.224887056e+02 1.535647178e+02 2.024534928e+02 1.970740869e+02 2.779251199e+01 4.312561410e+01 1.904884819e+02 2.334637257e+01 8.853847546e+01 1.46 1.957112903e+02 1.142519357e+02 1.441883385e+02 1.908667922e+02 1.860222940e+02 2.541887385e+01 4.046781311e+01 1.790623818e+02 2.117329068e+01 8.293533394e+01 1.48 1.842231517e+02 1.065238759e+02 1.353294061e+02 1.798608835e+02 1.754986152e+02 2.319284368e+01 3.801243955e+01 1.682516519e+02 1.919390668e+01 7.763530686e+01 1.50 1.733391960e+02 9.926765729e+01 1.269613723e+02 1.694116016e+02 1.654840071e+02 2.110632043e+01 3.573544223e+01 1.580285717e+02 1.738898513e+01 7.262415612e+01 1.52 1.630322458e+02 9.244798026e+01 1.190586576e+02 1.594964025e+02 1.559605593e+02 1.915161864e+01 3.361573388e+01 1.483675240e+02 1.574035242e+01 6.788868630e+01 1.54 1.532771854e+02 8.603165545e+01 1.115967902e+02 1.500943611e+02 1.469115368e+02 1.732144811e+01 3.163522357e+01 1.392447498e+02 1.423148131e+01 6.341672119e+01 1.56 1.440508200e+02 7.998802632e+01 1.045525717e+02 1.411860707e+02 1.383213213e+02 1.560889431e+01 2.977865133e+01 1.306379749e+02 1.284786427e+01 5.919703359e+01 1.58 1.353316172e+02 7.428923962e+01 9.790421604e+01 1.327534222e+02 1.301752271e+02 1.400739994e+01 2.803326194e+01 1.225259186e+02 1.157714249e+01 5.521921649e+01 1.60 1.270993236e+02 6.891036491e+01 9.163140791e+01 1.247792552e+02 1.224591868e+02 1.251074725e+01 2.638836989e+01 1.148877220e+02 1.040900248e+01 5.147349178e+01 1.62 1.193344731e+02 6.382938690e+01 8.571524541e+01 1.172468971e+02 1.151593212e+02 1.111304122e+01 2.483487475e+01 1.077023536e+02 9.334888039e+00 4.795046445e+01 1.64 1.120178242e+02 5.902710182e+01 8.013805224e+01 1.101396291e+02 1.082614340e+02 9.808693569e+00 2.336478477e+01 1.009480679e+02 8.347597220e+00 4.464084198e+01 1.66 1.051297893e+02 5.448694412e+01 7.488307722e+01 1.034401406e+02 1.017504918e+02 8.592407567e+00 2.197079932e+01 9.460199193e+01 7.440839176e+00 4.153514878e+01 1.68 9.864992419e+01 5.019475855e+01 6.993412500e+01 9.713004278e+01 9.561016136e+01 7.459163488e+00 2.064598717e+01 8.863990719e+01 6.608817680e+00 3.862347162e+01 1.70 9.255655346e+01 4.613852414e+01 6.527518024e+01 9.118951509e+01 8.982247672e+01 6.404204845e+00 1.938358208e+01 8.303627225e+01 5.845891749e+00 3.589527248e+01 1.72 8.682659175e+01 4.230803472e+01 6.089009337e+01 8.559714560e+01 8.436769944e+01 5.423025240e+00 1.817690083e+01 7.776449905e+01 5.146343751e+00 3.333929941e+01 1.74 8.143560069e+01 3.869454570e+01 5.676238726e+01 8.033000549e+01 7.922441030e+01 4.511355886e+00 1.701937354e+01 7.279746236e+01 4.504266054e+00 3.094361530e+01 1.76 7.635809095e+01 3.529040488e+01 5.287522346e+01 7.536396700e+01 7.436984306e+01 3.665153686e+00 1.590466419e+01 6.810818864e+01 3.913560654e+00 2.869574919e+01 1.78 7.156804648e+01 3.208869260e+01 4.921153891e+01 7.067424194e+01 6.978043740e+01 2.880589937e+00 1.482685136e+01 6.367064447e+01 3.368033773e+00 2.658295860e+01 1.80 6.703961666e+01 2.908289766e+01 4.575433443e+01 6.623608680e+01 6.543255694e+01 2.154039553e+00 1.378063521e+01 5.946053153e+01 2.861558854e+00 2.459257586e+01 1.82 6.274789849e+01 2.626665192e+01 4.248707109e+01 6.202559672e+01 6.130329495e+01 1.482070802e+00 1.276153755e+01 5.545599493e+01 2.388277174e+00 2.271239945e+01 1.84 5.866971862e+01 2.363353690e+01 3.939411454e+01 5.802049811e+01 5.737127760e+01 8.614355826e-01 1.176606611e+01 5.163816593e+01 1.942804720e+00 2.093108522e+01 1.86 5.478432497e+01 2.117696503e+01 3.646116161e+01 5.420084988e+01 5.361737479e+01 2.890601153e-01 1.079182095e+01 4.799148508e+01 1.520416924e+00 1.923849246e+01 1.88 5.107391220e+01 1.889012814e+01 3.367559009e+01 5.054957758e+01 5.002524296e+01 -2.379638542e-01 9.837530207e+00 4.450378314e+01 1.117188899e+00 1.762594682e+01 1.90 4.752392894e+01 1.676599915e+01 3.102668730e+01 4.705278846e+01 4.658164798e+01 -7.223874664e-01 8.903011197e+00 4.116612832e+01 7.300766233e-01 1.608639412e+01 1.92 4.412314542e+01 1.479736990e+01 2.850573433e+01 4.369984618e+01 4.327654694e+01 -1.166812736e+00 7.989062375e+00 3.797247571e+01 3.569335665e-01 1.461443441e+01 1.94 4.086349127e+01 1.297690881e+01 2.610594460e+01 4.048321504e+01 4.010293881e+01 -1.573700124e+00 7.097298605e+00 3.491917337e+01 -3.534282804e-03 1.320624104e+01 1.96 3.773969940e+01 1.129722523e+01 2.382227492e+01 3.739810959e+01 3.705651977e+01 -1.945375799e+00 6.229947446e+00 3.200438715e+01 -3.518650556e-01 1.185938279e+01 1.98 3.474881059e+01 9.750931347e+00 2.165114139e+01 3.444200446e+01 3.413519832e+01 -2.284038463e+00 5.389626620e+00 2.922750620e+01 -6.879745790e-01 1.057257635e+01 2.00 3.188960101e+01 8.330696825e+00 1.959007912e+01 3.161406656e+01 3.133853212e+01 -2.591765923e+00 4.579122163e+00 2.658858138e+01 -1.011310400e+00 9.345400256e+00 2.02 2.916199399e+01 7.029294296e+00 1.763738525e+01 2.891457117e+01 2.866714834e+01 -2.870521271e+00 3.801184444e+00 2.408783583e+01 -1.321010060e+00 8.178000985e+00 2.04 2.656650766e+01 5.839636282e+00 1.579177936e+01 2.634435329e+01 2.612219891e+01 -3.122158810e+00 3.058354659e+00 2.172527146e+01 -1.616050110e+00 7.070816885e+00 2.06 2.410377668e+01 4.754804962e+00 1.405210699e+01 2.390433294e+01 2.370488920e+01 -3.348429659e+00 2.352829704e+00 1.950038099e+01 -1.895375813e+00 6.024339249e+00 2.08 2.177417075e+01 3.768076506e+00 1.241710181e+01 2.159513674e+01 2.141610272e+01 -3.550987089e+00 1.686368285e+00 1.741196309e+01 -2.158005613e+00 5.038921704e+00 2.10 1.957751823e+01 2.872941425e+00 1.088521297e+01 1.941682433e+01 1.925613043e+01 -3.731391604e+00 1.060237035e+00 1.545802981e+01 -2.403108078e+00 4.114642187e+00 2.12 1.751293157e+01 2.063121934e+00 9.454495998e+00 1.736871639e+01 1.722450121e+01 -3.891115753e+00 4.751923087e-01 1.363579051e+01 -2.630052120e+00 3.251215814e+00 2.14 1.557872314e+01 1.332586782e+00 8.122560577e+00 1.544931268e+01 1.531990222e+01 -4.031548718e+00 -6.850859999e-02 1.194169407e+01 -2.838433367e+00 2.447952915e+00 2.16 1.377239497e+01 6.755637157e-01 6.886564982e+00 1.365628392e+01 1.354017287e+01 -4.154000672e+00 -5.710738589e-01 1.037151216e+01 -3.028080842e+00 1.703754074e+00 2.18 1.209068478e+01 8.654945588e-02 5.743245901e+00 1.198651963e+01 1.188235449e+01 -4.259706906e+00 -1.033128086e+00 8.920447275e+00 -3.199048505e+00 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