# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Han-S-Zepeda-Ruiz-L-A-Ackland-G-J-et-al--W # implementation = 2003--Han-S--W--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 2022-05-24 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 1.755936997e+03 nan 0.60 nan nan nan nan nan nan nan nan 1.579675574e+03 nan 0.62 nan nan nan nan nan 1.228520558e+03 nan nan 1.425363531e+03 nan 0.64 nan nan nan nan nan 1.109474781e+03 nan nan 1.288174990e+03 nan 0.66 nan nan nan nan nan 1.003076280e+03 nan nan 1.165480373e+03 nan 0.68 nan nan nan nan nan 9.100216417e+02 nan nan 1.056910209e+03 nan 0.70 nan nan nan 1.895250973e+03 1.894438388e+03 8.279552532e+02 nan nan 9.616088221e+02 1.318128871e+03 0.72 nan 1.201405194e+03 nan 1.734722630e+03 1.734149517e+03 7.539092955e+02 1.221802027e+03 nan 8.777171068e+02 1.203140356e+03 0.74 nan 1.099871450e+03 nan 1.591216074e+03 1.591495530e+03 6.868758707e+02 1.119547828e+03 nan 8.031936966e+02 1.098914725e+03 0.76 nan 1.008618600e+03 nan 1.462363938e+03 1.463263096e+03 6.267142003e+02 1.025485453e+03 nan 7.363533787e+02 1.006261558e+03 0.78 nan 9.268730023e+02 nan 1.345777858e+03 1.346543903e+03 5.740986044e+02 9.398767771e+02 nan 6.759909986e+02 9.253581265e+02 0.80 1.241036030e+03 8.534312733e+02 1.131919858e+03 1.240438504e+03 1.240432085e+03 5.287655884e+02 8.638515559e+02 1.166241754e+03 6.210896113e+02 8.537266693e+02 0.82 1.148223223e+03 7.868804284e+02 1.047574264e+03 1.145928776e+03 1.145122209e+03 4.886194529e+02 7.968166556e+02 1.078142213e+03 5.707385942e+02 7.886030919e+02 0.84 1.063151221e+03 7.258927178e+02 9.705613818e+02 1.060939910e+03 1.059890277e+03 4.511725058e+02 7.369473031e+02 9.972121259e+02 5.244455011e+02 7.288729227e+02 0.86 9.842648510e+02 6.705302351e+02 8.985291071e+02 9.835590165e+02 9.829332453e+02 4.151306180e+02 6.828756414e+02 9.223860751e+02 4.823930108e+02 6.738995968e+02 0.88 9.115587808e+02 6.205900738e+02 8.314758088e+02 9.124025957e+02 9.124793019e+02 3.811944206e+02 6.333736578e+02 8.536909584e+02 4.447034704e+02 6.229089173e+02 0.90 8.451555625e+02 5.750717276e+02 7.697832356e+02 8.469466250e+02 8.476919470e+02 3.502561142e+02 5.873790419e+02 7.913461162e+02 4.109773156e+02 5.756753662e+02 0.92 7.850116685e+02 5.333527007e+02 7.138919127e+02 7.870279876e+02 7.881587144e+02 3.227095803e+02 5.441967529e+02 7.353104854e+02 3.803763370e+02 5.328616304e+02 0.94 7.309299111e+02 4.951668592e+02 6.637769469e+02 7.323506891e+02 7.333513320e+02 2.982774446e+02 5.040540736e+02 6.851135703e+02 3.522216922e+02 4.947173475e+02 0.96 6.821251047e+02 4.602572873e+02 6.188343152e+02 6.823128877e+02 6.827511111e+02 2.764857211e+02 4.675373906e+02 6.396210382e+02 3.264008206e+02 4.606751634e+02 0.98 6.377740154e+02 4.283996580e+02 5.780309221e+02 6.365527269e+02 6.362534555e+02 2.566393249e+02 4.347809845e+02 5.977915907e+02 3.028703649e+02 4.292037793e+02 1.00 5.970778593e+02 3.991899730e+02 5.409072128e+02 5.948554209e+02 5.939794998e+02 2.382930047e+02 4.051134680e+02 5.588052455e+02 2.814631127e+02 3.993203642e+02 1.02 5.589125658e+02 3.719981865e+02 5.067796273e+02 5.566857909e+02 5.555538994e+02 2.210392548e+02 3.776771892e+02 5.221349756e+02 2.618412270e+02 3.710532570e+02 1.04 5.225874069e+02 3.466143932e+02 4.752184523e+02 5.213910825e+02 5.203487532e+02 2.049575624e+02 3.519360311e+02 4.876552929e+02 2.436636144e+02 3.449837804e+02 1.06 4.882559196e+02 3.230080134e+02 4.452626924e+02 4.884841584e+02 4.877884165e+02 1.899804353e+02 3.277484598e+02 4.555880009e+02 2.267688090e+02 3.215010159e+02 1.08 4.564791114e+02 3.011118268e+02 4.161520868e+02 4.577342749e+02 4.575156412e+02 1.758859704e+02 3.051319410e+02 4.260759099e+02 2.109367635e+02 3.004807426e+02 1.10 4.274892526e+02 2.806601127e+02 3.880753908e+02 4.290457919e+02 4.293443582e+02 1.625539385e+02 2.844459262e+02 3.989155218e+02 1.961037352e+02 2.814840976e+02 1.12 4.009285543e+02 2.616238393e+02 3.617956583e+02 4.022974747e+02 4.030675916e+02 1.500832452e+02 2.658161966e+02 3.738455211e+02 1.821977164e+02 2.639523661e+02 1.14 3.765549744e+02 2.440826782e+02 3.380081754e+02 3.774039971e+02 3.784989376e+02 1.386631889e+02 2.491543410e+02 3.506211270e+02 1.691206330e+02 2.477149495e+02 1.16 3.537654409e+02 2.280827451e+02 3.167017581e+02 3.541060318e+02 3.553248422e+02 1.284009252e+02 2.340315131e+02 3.289082804e+02 1.568344157e+02 2.324465906e+02 1.18 3.323567808e+02 2.134616018e+02 2.974334329e+02 3.322733344e+02 3.333105155e+02 1.192301490e+02 2.200258797e+02 3.085193517e+02 1.453219861e+02 2.180334868e+02 1.20 3.122120202e+02 1.998744050e+02 2.797606660e+02 3.118131363e+02 3.124018379e+02 1.110472200e+02 2.067809870e+02 2.893714182e+02 1.346446331e+02 2.043915215e+02 1.22 2.931351986e+02 1.871537162e+02 2.631145455e+02 2.926671584e+02 2.927205651e+02 1.035264699e+02 1.941473972e+02 2.714740428e+02 1.248117506e+02 1.912946614e+02 1.24 2.751399347e+02 1.753103590e+02 2.471951852e+02 2.748195271e+02 2.744122651e+02 9.639939388e+01 1.820322330e+02 2.549543980e+02 1.157593034e+02 1.786474131e+02 1.26 2.584266057e+02 1.644372832e+02 2.320732305e+02 2.583299789e+02 2.576223812e+02 8.958849892e+01 1.704048073e+02 2.399071856e+02 1.074347357e+02 1.665028024e+02 1.28 2.432193232e+02 1.544722527e+02 2.178536347e+02 2.431797243e+02 2.423047923e+02 8.302700250e+01 1.592386293e+02 2.262640728e+02 9.976635581e+01 1.549611374e+02 1.30 2.295568923e+02 1.451515844e+02 2.046724453e+02 2.293346078e+02 2.283943878e+02 7.668189179e+01 1.485586239e+02 2.137848696e+02 9.270297060e+01 1.441371433e+02 1.32 2.171540507e+02 1.362262140e+02 1.926348470e+02 2.166337034e+02 2.157278865e+02 7.062233828e+01 1.384923815e+02 2.021016940e+02 8.619294057e+01 1.340607242e+02 1.34 2.056330175e+02 1.274950057e+02 1.817282573e+02 2.048507750e+02 2.040627407e+02 6.498475140e+01 1.291112195e+02 1.908515704e+02 8.013791126e+01 1.247334760e+02 1.36 1.946294700e+02 1.188685240e+02 1.718592256e+02 1.937456457e+02 1.931544201e+02 5.988119027e+01 1.204143650e+02 1.798309511e+02 7.441757903e+01 1.161718270e+02 1.38 1.838060168e+02 1.104586552e+02 1.628365392e+02 1.830508486e+02 1.827328404e+02 5.537086946e+01 1.123449665e+02 1.689831514e+02 6.893976000e+01 1.084132953e+02 1.40 1.729866516e+02 1.024548854e+02 1.543557802e+02 1.726052183e+02 1.726203507e+02 5.138463575e+01 1.047844808e+02 1.584541080e+02 6.371802546e+01 1.014010235e+02 1.42 1.623603046e+02 9.502944472e+01 1.460844663e+02 1.624717888e+02 1.628202612e+02 4.779601405e+01 9.763711119e+01 1.484890830e+02 5.878891926e+01 9.501135138e+01 1.44 1.521644568e+02 8.830788644e+01 1.378211280e+02 1.527593289e+02 1.533912795e+02 4.447943613e+01 9.083333843e+01 1.392454246e+02 5.420895796e+01 8.912035881e+01 1.46 1.426408804e+02 8.230453435e+01 1.295122107e+02 1.435854820e+02 1.444190250e+02 4.132113144e+01 8.435549123e+01 1.307686763e+02 5.002551267e+01 8.361083394e+01 1.48 1.339750756e+02 7.692410989e+01 1.212671666e+02 1.350616593e+02 1.359924089e+02 3.828741337e+01 7.826837146e+01 1.229941301e+02 4.619854251e+01 7.836780479e+01 1.50 1.261081685e+02 7.204461706e+01 1.132978200e+02 1.271690455e+02 1.280994914e+02 3.539873056e+01 7.262395799e+01 1.158378998e+02 4.265006737e+01 7.330020345e+01 1.52 1.189512866e+02 6.753108052e+01 1.057705608e+02 1.198615616e+02 1.206996052e+02 3.267773507e+01 6.746405683e+01 1.092050042e+02 3.931090146e+01 6.843524582e+01 1.54 1.123795964e+02 6.325072120e+01 9.874994089e+01 1.130421236e+02 1.136901982e+02 3.014869531e+01 6.280957177e+01 1.029804232e+02 3.613004701e+01 6.381110287e+01 1.56 1.062537157e+02 5.909206411e+01 9.223677844e+01 1.066189205e+02 1.070005181e+02 2.781007552e+01 5.862179265e+01 9.706824740e+01 3.307670818e+01 5.944941512e+01 1.58 1.004577477e+02 5.497690745e+01 8.613511233e+01 1.005151223e+02 1.005954688e+02 2.561111461e+01 5.481293803e+01 9.140834657e+01 3.014696747e+01 5.537438660e+01 1.60 9.491043861e+01 5.085702829e+01 8.036663681e+01 9.467610566e+01 9.446049295e+01 2.351589437e+01 5.129259843e+01 8.596372614e+01 2.736979621e+01 5.157321318e+01 1.62 8.951592322e+01 4.673555426e+01 7.490642146e+01 8.904441146e+01 8.858319633e+01 2.152566517e+01 4.800094311e+01 8.070048398e+01 2.475666641e+01 4.793966976e+01 1.64 8.418815813e+01 4.266537870e+01 6.975447441e+01 8.357273644e+01 8.296051129e+01 1.964631728e+01 4.486889592e+01 7.559694528e+01 2.229834191e+01 4.436131196e+01 1.66 7.892989368e+01 3.872836416e+01 6.492271483e+01 7.825956065e+01 7.758962151e+01 1.788862291e+01 4.182434434e+01 7.067546037e+01 1.998291828e+01 4.081925208e+01 1.68 7.381351600e+01 3.500576229e+01 6.044279297e+01 7.315255766e+01 7.249159932e+01 1.627322259e+01 3.881855066e+01 6.595421433e+01 1.780979602e+01 3.736523451e+01 1.70 6.890552662e+01 3.156338736e+01 5.633115918e+01 6.829570539e+01 6.768588416e+01 1.481068467e+01 3.584569032e+01 6.145163165e+01 1.577791889e+01 3.405311085e+01 1.72 6.425417778e+01 2.841942718e+01 5.257476421e+01 6.371974202e+01 6.318530626e+01 1.349914270e+01 3.290914537e+01 5.718209783e+01 1.389409373e+01 3.094389096e+01 1.74 5.990260103e+01 2.556928656e+01 4.915738765e+01 5.945189490e+01 5.900118877e+01 1.233656369e+01 3.001275882e+01 5.315090753e+01 1.216898682e+01 2.809934277e+01 1.76 5.583470239e+01 2.299257801e+01 4.606207312e+01 5.547903153e+01 5.512336068e+01 1.132059936e+01 2.718242800e+01 4.932699565e+01 1.061036522e+01 2.551819955e+01 1.78 5.200390026e+01 2.066121190e+01 4.324371266e+01 5.176266216e+01 5.152142406e+01 1.043488424e+01 2.447299563e+01 4.567106497e+01 9.205816105e+00 2.315976203e+01 1.80 4.836477018e+01 1.855069483e+01 4.062066246e+01 4.825614889e+01 4.814752759e+01 9.645173140e+00 2.191704101e+01 4.217306396e+01 7.935454886e+00 2.098330588e+01 1.82 4.487201084e+01 1.662850465e+01 3.811254793e+01 4.491228144e+01 4.495255204e+01 8.919581584e+00 1.952545595e+01 3.883812763e+01 6.778560848e+00 1.894826844e+01 1.84 4.149071925e+01 1.485599737e+01 3.564697562e+01 4.169162393e+01 4.189252860e+01 8.227329739e+00 1.730879389e+01 3.567528708e+01 5.714347218e+00 1.701938221e+01 1.86 3.823064252e+01 1.321520611e+01 3.317995813e+01 3.858830362e+01 3.894596471e+01 7.538747230e+00 1.527079377e+01 3.271289905e+01 4.723882860e+00 1.518544670e+01 1.88 3.512617424e+01 1.169468619e+01 3.068010825e+01 3.561539967e+01 3.610462510e+01 6.829984778e+00 1.338613727e+01 2.998910664e+01 3.793195469e+00 1.345441307e+01 1.90 3.221530984e+01 1.027429200e+01 2.811769464e+01 3.278881237e+01 3.336231489e+01 6.078887884e+00 1.162159664e+01 2.751956640e+01 2.911026800e+00 1.183778534e+01 1.92 2.953631964e+01 8.931212614e+00 2.547872958e+01 3.012852370e+01 3.072072775e+01 5.270983689e+00 9.961412932e+00 2.529902613e+01 2.073779335e+00 1.034724256e+01 1.94 2.712803765e+01 7.643013476e+00 2.282138033e+01 2.767284901e+01 2.821766037e+01 4.427543732e+00 8.401346991e+00 2.331247852e+01 1.280607954e+00 8.994858625e+00 1.96 2.499855370e+01 6.379993738e+00 2.021194145e+01 2.544070737e+01 2.588286104e+01 3.579972231e+00 6.938023398e+00 2.151643128e+01 5.330558863e-01 7.780231443e+00 1.98 2.310379530e+01 5.129360824e+00 1.770272275e+01 2.340815340e+01 2.371251150e+01 2.759503205e+00 5.569746994e+00 1.985778655e+01 -1.656667143e-01 6.684720611e+00 2.00 2.139366544e+01 3.894279206e+00 1.534565501e+01 2.154619599e+01 2.169872654e+01 1.997469486e+00 4.300599362e+00 1.828331824e+01 -8.119737367e-01 5.688011057e+00 2.02 1.981808691e+01 2.678091819e+00 1.319518571e+01 1.982642879e+01 1.983477068e+01 1.326965161e+00 3.136256437e+00 1.674146204e+01 -1.404979301e+00 4.769801542e+00 2.04 1.832700309e+01 1.488462762e+00 1.128781045e+01 1.821593520e+01 1.810486732e+01 7.723527272e-01 2.074330027e+00 1.519051430e+01 -1.947374873e+00 3.909805708e+00 2.06 1.687038146e+01 3.490488136e-01 9.613368337e+00 1.667014372e+01 1.646990598e+01 3.346433341e-01 1.109178124e+00 1.360951205e+01 -2.433889432e+00 3.087754640e+00 2.08 1.539999666e+01 -7.141217658e-01 8.149063300e+00 1.514353445e+01 1.488707224e+01 4.465779569e-03 2.323651176e-01 1.198240021e+01 -2.859722535e+00 2.284263003e+00 2.10 1.387245467e+01 -1.693995011e+00 6.862613829e+00 1.359316908e+01 1.331388349e+01 -2.402658744e-01 -5.645396418e-01 1.030384913e+01 -3.227906371e+00 1.482294446e+00 2.12 1.225557990e+01 -2.591875745e+00 5.721012424e+00 1.198574647e+01 1.171591305e+01 -4.228932971e-01 -1.289686078e+00 8.605429315e+00 -3.542870894e+00 6.686653571e-01 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