# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-V # implementation = 2020--Chen-Y--W-V--LAMMPS--ipr1 # composition = W # 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 2022-12-14 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 8.463270370e+03 nan 0.70 nan nan nan nan nan nan nan nan 7.395208223e+03 nan 0.72 nan nan nan nan nan nan nan nan 6.486108985e+03 nan 0.74 nan nan nan nan nan 5.001374557e+03 nan nan 5.709113778e+03 nan 0.76 nan nan nan nan nan 4.432835634e+03 nan nan 5.043240075e+03 nan 0.78 nan nan nan nan nan 3.942113014e+03 nan nan 4.469831460e+03 nan 0.80 nan nan nan nan nan 3.516811644e+03 nan nan 3.973773545e+03 nan 0.82 nan nan nan nan nan 3.146557424e+03 nan nan 3.531789456e+03 nan 0.84 nan nan nan 7.891118693e+03 7.890489463e+03 2.821962423e+03 nan nan 3.130311539e+03 4.778655747e+03 0.86 nan 4.256642323e+03 nan 7.120428074e+03 7.120613405e+03 2.536301109e+03 4.330620814e+03 nan 2.782220888e+03 4.278725867e+03 0.88 nan 3.805033950e+03 nan 6.438476927e+03 6.439361678e+03 2.284635040e+03 3.876303180e+03 nan 2.479419356e+03 3.841067310e+03 0.90 nan 3.392780319e+03 nan 5.833612627e+03 5.834832003e+03 2.062157919e+03 3.478425877e+03 nan 2.214956845e+03 3.457290001e+03 0.92 nan 2.994140224e+03 nan 5.295793904e+03 5.296959008e+03 1.864906892e+03 3.129192999e+03 nan 1.983488433e+03 3.119919896e+03 0.94 nan 2.647708258e+03 nan 4.815448982e+03 4.816470510e+03 1.689778001e+03 2.822007912e+03 nan 1.780006674e+03 2.821368950e+03 0.96 4.384837164e+03 2.346455287e+03 3.769437318e+03 4.385505056e+03 4.386283970e+03 1.533709714e+03 2.535571865e+03 4.018428150e+03 1.600648677e+03 2.556281749e+03 0.98 3.999680806e+03 2.084215930e+03 3.411204871e+03 4.000204138e+03 4.000631323e+03 1.394074932e+03 2.280918496e+03 3.630289560e+03 1.442316898e+03 2.320111467e+03 1.00 3.654168665e+03 1.855243356e+03 3.092152868e+03 3.654282965e+03 3.654263387e+03 1.268746883e+03 2.055484967e+03 3.253704626e+03 1.302136259e+03 2.108924644e+03 1.02 3.247878311e+03 1.642916092e+03 2.744117067e+03 3.247353551e+03 3.246763436e+03 1.123989959e+03 1.823533310e+03 2.889226723e+03 1.153522945e+03 1.871901005e+03 1.04 2.890579008e+03 1.457188626e+03 2.439278116e+03 2.889647331e+03 2.888683683e+03 9.968404984e+02 1.620303429e+03 2.569156443e+03 1.023178097e+03 1.663602535e+03 1.06 2.576098079e+03 1.294437356e+03 2.173018128e+03 2.575243279e+03 2.574340724e+03 8.856590706e+02 1.442126477e+03 2.287812080e+03 9.087274697e+02 1.480566735e+03 1.08 2.298931097e+03 1.151960485e+03 1.939045606e+03 2.298283703e+03 2.297595508e+03 7.878292476e+02 1.285355896e+03 2.040124100e+03 8.080806185e+02 1.319644016e+03 1.10 2.054292083e+03 1.026934660e+03 1.732800423e+03 2.053921956e+03 2.053553512e+03 7.015019903e+02 1.147122193e+03 1.821774743e+03 7.194332454e+02 1.177827142e+03 1.12 1.838081630e+03 9.170637069e+02 1.550777527e+03 1.838076561e+03 1.838108241e+03 6.253008173e+02 1.025003970e+03 1.629356058e+03 6.412924724e+02 1.052535632e+03 1.14 1.646812325e+03 8.204563833e+02 1.389961143e+03 1.647191764e+03 1.647614301e+03 5.580482758e+02 9.169975720e+02 1.459539631e+03 5.723113770e+02 9.417090703e+02 1.16 1.477918207e+03 7.353685419e+02 1.247674736e+03 1.478564321e+03 1.479230969e+03 4.986520114e+02 8.213335723e+02 1.310063395e+03 5.112229872e+02 8.437781694e+02 1.18 1.329256642e+03 6.603097267e+02 1.121524318e+03 1.329926088e+03 1.330593183e+03 4.460857381e+02 7.364940433e+02 1.177787581e+03 4.570778086e+02 7.574149407e+02 1.20 1.197347193e+03 5.938031395e+02 1.009442195e+03 1.197945044e+03 1.198529896e+03 3.994549547e+02 6.612282616e+02 1.060450794e+03 4.090669886e+02 6.807747660e+02 1.22 1.080027447e+03 5.346591497e+02 9.096652734e+02 1.080508888e+03 1.080979513e+03 3.579987930e+02 5.944185820e+02 9.561458561e+02 3.664241337e+02 6.124730271e+02 1.24 9.755043994e+02 4.818944755e+02 8.211520298e+02 9.758781627e+02 9.762538799e+02 3.215077496e+02 5.352104080e+02 8.632746735e+02 3.286501350e+02 5.514289227e+02 1.26 8.822395531e+02 4.346815659e+02 7.421473850e+02 8.824813100e+02 8.827407381e+02 2.889655332e+02 4.824524323e+02 7.804786213e+02 2.950061388e+02 4.967913402e+02 1.28 7.989059365e+02 3.923084241e+02 6.714017882e+02 7.989841379e+02 7.990897696e+02 2.597690653e+02 4.353129501e+02 7.065719780e+02 2.648954781e+02 4.478493450e+02 1.30 7.243698436e+02 3.541774386e+02 6.080309003e+02 7.242715944e+02 7.241952910e+02 2.335609593e+02 3.930514885e+02 6.404709590e+02 2.379167925e+02 4.040118459e+02 1.32 6.576389646e+02 3.198068651e+02 5.512436326e+02 6.573613117e+02 6.570896624e+02 2.100261558e+02 3.550702013e+02 5.811975112e+02 2.137338089e+02 3.647571696e+02 1.34 5.977484627e+02 2.887555159e+02 5.003264482e+02 5.973257897e+02 5.968929479e+02 1.889063393e+02 3.208939885e+02 5.279070028e+02 1.920674486e+02 3.295604295e+02 1.36 5.438044837e+02 2.606572789e+02 4.546738272e+02 5.433253248e+02 5.428250001e+02 1.699881586e+02 2.901180719e+02 4.798645686e+02 1.728578067e+02 2.979258403e+02 1.38 4.950477735e+02 2.352523476e+02 4.137369941e+02 4.946252206e+02 4.941759025e+02 1.530664328e+02 2.626084939e+02 4.363804819e+02 1.555560166e+02 2.694343810e+02 1.40 4.508555608e+02 2.123312177e+02 3.769009478e+02 4.505673972e+02 4.502531102e+02 1.378841755e+02 2.378435840e+02 3.969595502e+02 1.399435057e+02 2.437337524e+02 1.42 4.108219311e+02 1.916663081e+02 3.435792469e+02 4.106951865e+02 4.105504092e+02 1.241859804e+02 2.154048878e+02 3.612675268e+02 1.258240858e+02 2.206936211e+02 1.44 3.746236212e+02 1.730050913e+02 3.132945178e+02 3.746500522e+02 3.746711836e+02 1.117667019e+02 1.950532178e+02 3.290201062e+02 1.130359332e+02 2.002058347e+02 1.46 3.417086853e+02 1.561154151e+02 2.856770625e+02 3.418666902e+02 3.420314538e+02 1.004892412e+02 1.765815081e+02 2.997975022e+02 1.014406049e+02 1.816351869e+02 1.48 3.118048441e+02 1.407905132e+02 2.604064765e+02 3.120609367e+02 3.123311607e+02 9.020774764e+01 1.598062736e+02 2.733333335e+02 9.093634216e+01 1.647994365e+02 1.50 2.846911853e+02 1.268489078e+02 2.372356076e+02 2.850008366e+02 2.853274579e+02 8.081774529e+01 1.445636855e+02 2.493768342e+02 8.140115977e+01 1.495427347e+02 1.52 2.601545225e+02 1.141352786e+02 2.159702292e+02 2.604692921e+02 2.608000525e+02 7.224479510e+01 1.307061755e+02 2.276391201e+02 7.272735266e+01 1.357183662e+02 1.54 2.378942090e+02 1.025260846e+02 1.964424402e+02 2.381770421e+02 2.384715223e+02 6.442216384e+01 1.181005173e+02 2.078406256e+02 6.482836894e+01 1.231559749e+02 1.56 2.176110131e+02 9.191269404e+01 1.785169869e+02 2.178392753e+02 2.180724408e+02 5.730116849e+01 1.066228465e+02 1.897389824e+02 5.763356773e+01 1.116961365e+02 1.58 1.990488209e+02 8.219910603e+01 1.620901527e+02 1.992115207e+02 1.993722054e+02 5.085215193e+01 9.616041547e+01 1.731497577e+02 5.109004170e+01 1.012004639e+02 1.60 1.820304750e+02 7.334204554e+01 1.470832447e+02 1.821221026e+02 1.822076689e+02 4.505673959e+01 8.662164730e+01 1.579158330e+02 4.515346462e+01 9.156706741e+01 1.62 1.663974360e+02 6.529211642e+01 1.334037501e+02 1.664190341e+02 1.664339391e+02 3.987344408e+01 7.808807772e+01 1.438933580e+02 3.977318243e+01 8.273799853e+01 1.64 1.520005791e+02 5.806105185e+01 1.209248894e+02 1.519595700e+02 1.519133584e+02 3.522451298e+01 7.028351878e+01 1.309634952e+02 3.496719603e+01 7.463027058e+01 1.66 1.387169087e+02 5.162043242e+01 1.095227229e+02 1.386239364e+02 1.385281178e+02 3.103486556e+01 6.312010967e+01 1.190229858e+02 3.061374909e+01 6.716702402e+01 1.68 1.264367807e+02 4.575445992e+01 9.909380330e+01 1.263057970e+02 1.261739090e+02 2.724754839e+01 5.653899760e+01 1.079804475e+02 2.663521476e+01 6.027946196e+01 1.70 1.150607443e+02 4.042253355e+01 8.955295781e+01 1.149078013e+02 1.147550469e+02 2.382453843e+01 5.049242908e+01 9.775815176e+01 2.300763347e+01 5.390526164e+01 1.72 1.045028739e+02 3.558842170e+01 8.081174308e+01 1.043428286e+02 1.041836960e+02 2.072618064e+01 4.493663490e+01 8.828977514e+01 1.971630747e+01 4.799507172e+01 1.74 9.469765142e+01 3.121696905e+01 7.290884590e+01 9.454355939e+01 9.439091820e+01 1.791767804e+01 3.983892579e+01 7.952698995e+01 1.674945026e+01 4.252206380e+01 1.76 8.559101722e+01 2.727230294e+01 6.580895037e+01 8.545413389e+01 8.531887200e+01 1.537113285e+01 3.517787232e+01 7.146454525e+01 1.409448799e+01 3.746311806e+01 1.78 7.714701952e+01 2.372126950e+01 5.930493888e+01 7.703575547e+01 7.692585102e+01 1.306117429e+01 3.093659552e+01 6.407465930e+01 1.172053263e+01 3.279925703e+01 1.80 6.937127388e+01 2.064642822e+01 5.334259694e+01 6.929069122e+01 6.921088779e+01 1.096563188e+01 2.709327747e+01 5.731746457e+01 9.593205886e+00 2.852186223e+01 1.82 6.224160088e+01 1.795520932e+01 4.787670664e+01 6.219408769e+01 6.214665212e+01 9.066529299e+00 2.360516387e+01 5.115580032e+01 7.678977083e+00 2.463135738e+01 1.84 5.573538390e+01 1.552001981e+01 4.286620813e+01 5.572011877e+01 5.570434359e+01 7.347211535e+00 2.042840690e+01 4.555921070e+01 5.952480944e+00 2.113183478e+01 1.86 4.982831286e+01 1.331780708e+01 3.827285256e+01 4.984135404e+01 4.985357448e+01 5.792236892e+00 1.752296859e+01 4.049276643e+01 4.395022078e+00 1.801891134e+01 1.88 4.447473941e+01 1.132456286e+01 3.406286303e+01 4.451038057e+01 4.454510966e+01 4.389218030e+00 1.486146446e+01 3.590933527e+01 2.990058683e+00 1.525400181e+01 1.90 3.962195903e+01 9.516494368e+00 3.020573471e+01 3.967390656e+01 3.972497091e+01 3.127448272e+00 1.247032449e+01 3.176152655e+01 1.723459033e+00 1.279095041e+01 1.92 3.521712607e+01 7.870903153e+00 2.667586752e+01 3.527989919e+01 3.534190500e+01 1.998632527e+00 1.029223072e+01 2.800438822e+01 5.839578869e-01 1.058298368e+01 1.94 3.121568612e+01 6.366703939e+00 2.345023877e+01 3.128474091e+01 3.135322451e+01 9.955238169e-01 8.293389750e+00 2.459965080e+01 -4.389051500e-01 8.596163353e+00 1.96 2.758051334e+01 4.984927672e+00 2.050762494e+01 2.765233318e+01 2.772383824e+01 1.116955637e-01 6.465818713e+00 2.175436398e+01 -1.354809721e+00 6.808208218e+00 1.98 2.427693087e+01 3.709315918e+00 1.782749249e+01 2.434904732e+01 2.442113561e+01 -6.595364713e-01 4.801426237e+00 1.915444847e+01 -2.171644592e+00 5.198313307e+00 2.00 2.127787115e+01 2.529231172e+00 1.538782947e+01 2.134812871e+01 2.141860751e+01 -1.327714941e+00 3.291945325e+00 1.677711256e+01 -2.896511403e+00 3.749555509e+00 2.02 1.890798957e+01 1.479448408e+00 1.339927265e+01 1.897448956e+01 1.904134458e+01 -1.786649105e+00 2.045550430e+00 1.472123702e+01 -3.449876588e+00 2.623146563e+00 2.04 1.672449307e+01 4.996079127e-01 1.156119011e+01 1.678553938e+01 1.684695734e+01 -2.186003912e+00 9.156934175e-01 1.283108361e+01 -3.943374749e+00 1.596970405e+00 2.06 1.471213878e+01 -4.158835790e-01 9.858260874e+00 1.476622392e+01 1.482061530e+01 -2.533054759e+00 -1.014915377e-01 1.109331111e+01 -4.380057998e+00 6.625930970e-01 2.08 1.285754411e+01 -1.267727437e+00 8.276810166e+00 1.290337065e+01 1.294939761e+01 -2.834499745e+00 -1.008357007e+00 9.495151271e+00 -4.760759991e+00 -1.872922828e-01 2.10 1.114823263e+01 -2.054559510e+00 6.805264400e+00 1.118465299e+01 1.122116970e+01 -3.096679680e+00 -1.807847647e+00 8.025515688e+00 -5.085761688e+00 -9.594285072e-01 2.12 9.573699778e+00 -2.774232094e+00 5.438045078e+00 9.599767893e+00 9.625866785e+00 -3.323979150e+00 -2.509673028e+00 6.673624498e+00 -5.354333884e+00 -1.659812069e+00 2.14 8.122893831e+00 -3.425922105e+00 4.170533435e+00 8.138310718e+00 8.153732448e+00 -3.519941382e+00 -3.125002107e+00 5.428999677e+00 -5.568046035e+00 -2.294469234e+00 2.16 6.785491233e+00 -4.018342654e+00 2.997902309e+00 6.790687915e+00 6.795884615e+00 -3.688054712e+00 -3.664634552e+00 4.282095442e+00 -5.733271322e+00 -2.867999180e+00 2.18 5.552133568e+00 -4.561337247e+00 1.915476411e+00 5.548166524e+00 5.544199481e+00 -3.831847374e+00 -4.138295887e+00 3.223488940e+00 -5.858074067e+00 -3.384144817e+00 2.20 4.413876612e+00 -5.063151087e+00 9.214938858e-01 4.402379993e+00 4.390883373e+00 -3.954803408e+00 -4.552457561e+00 2.244409571e+00 -5.950926388e+00 -3.846279526e+00 2.22 3.362423416e+00 -5.531316076e+00 1.494189938e-02 3.345281359e+00 3.328139301e+00 -4.060789962e+00 -4.914255738e+00 1.336797880e+00 -6.019203194e+00 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