# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Pt # implementation = 2004--Zhou-X-W--Pt--LAMMPS--ipr1 # composition = Pt # 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 nan nan nan 9.934016323e+02 nan 0.80 nan nan nan nan nan nan nan nan 9.092026885e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.332492134e+02 nan 0.84 nan nan nan nan nan 6.544230518e+02 nan nan 7.645965565e+02 nan 0.86 nan nan nan nan nan 6.008615987e+02 nan nan 7.024628152e+02 nan 0.88 nan nan nan nan nan 5.523668271e+02 nan nan 6.461705132e+02 nan 0.90 nan nan nan nan nan 5.083698691e+02 nan nan 5.950793841e+02 nan 0.92 nan nan nan nan nan 4.683539229e+02 nan nan 5.485923403e+02 nan 0.94 nan nan nan 1.078351073e+03 1.078361672e+03 4.318797352e+02 nan nan 5.061859577e+02 7.195044046e+02 0.96 nan 6.627364059e+02 nan 1.001953336e+03 1.001981910e+03 3.985754403e+02 6.762427204e+02 nan 4.674134268e+02 6.664530653e+02 0.98 nan 6.141776010e+02 nan 9.318747406e+02 9.319067936e+02 3.681170288e+02 6.268747398e+02 nan 4.318982123e+02 6.179116472e+02 1.00 nan 5.696309472e+02 nan 8.674761356e+02 8.674940352e+02 3.402272424e+02 5.815768310e+02 nan 3.993213678e+02 5.734448312e+02 1.02 nan 5.287142498e+02 nan 8.082067879e+02 8.082001857e+02 3.146611082e+02 5.400049987e+02 nan 3.694063547e+02 5.326160281e+02 1.04 nan 4.910690164e+02 nan 7.536002977e+02 7.535714459e+02 2.911788473e+02 5.018212966e+02 nan 3.419058746e+02 4.950210657e+02 1.06 nan 4.563717444e+02 nan 7.032364144e+02 7.032003665e+02 2.695459784e+02 4.666795712e+02 6.545217149e+02 3.165966291e+02 4.603280935e+02 1.08 6.567760008e+02 4.243503679e+02 5.914015045e+02 6.567206296e+02 6.566987726e+02 2.495548809e+02 4.342586351e+02 6.107811465e+02 2.932824062e+02 4.282786215e+02 1.10 6.136691492e+02 3.947766359e+02 5.520389658e+02 6.136870487e+02 6.136947119e+02 2.310460670e+02 4.042891649e+02 5.703096577e+02 2.717955232e+02 3.986506990e+02 1.12 5.737289522e+02 3.674470929e+02 5.155524474e+02 5.738110849e+02 5.738492114e+02 2.139144877e+02 3.765485912e+02 5.328339192e+02 2.519880563e+02 3.712337731e+02 1.14 5.367061128e+02 3.421687674e+02 4.817423039e+02 5.368178861e+02 5.368759931e+02 1.980863438e+02 3.508386771e+02 4.981154916e+02 2.337167571e+02 3.458342741e+02 1.16 5.023712115e+02 3.187537647e+02 4.504122857e+02 5.024738120e+02 5.025368600e+02 1.834842839e+02 3.269760159e+02 4.659333213e+02 2.168360845e+02 3.222888382e+02 1.18 4.705043381e+02 2.970319857e+02 4.213637211e+02 4.705712396e+02 4.706235553e+02 1.700120932e+02 3.048010204e+02 4.360760825e+02 2.012061646e+02 3.004635039e+02 1.20 4.408962494e+02 2.768570367e+02 3.944083795e+02 4.409153230e+02 4.409423425e+02 1.575653893e+02 2.841859805e+02 4.083422882e+02 1.867047464e+02 2.802368905e+02 1.22 4.133507520e+02 2.581015845e+02 3.693624700e+02 4.133197683e+02 4.133119041e+02 1.460428144e+02 2.650292161e+02 3.825419902e+02 1.732316220e+02 2.614821317e+02 1.24 3.876860157e+02 2.406524156e+02 3.460443589e+02 3.876119711e+02 3.875695190e+02 1.353496370e+02 2.472370718e+02 3.584994879e+02 1.607046793e+02 2.440613439e+02 1.26 3.637423788e+02 2.244095313e+02 3.242884517e+02 3.636391566e+02 3.635729329e+02 1.254001877e+02 2.307094008e+02 3.360594050e+02 1.490510120e+02 2.278374695e+02 1.28 3.413787601e+02 2.092771025e+02 3.039580064e+02 3.412655888e+02 3.411922926e+02 1.161210748e+02 2.153375370e+02 3.150875122e+02 1.382009672e+02 2.126925095e+02 1.30 3.204638196e+02 1.951608220e+02 2.849451885e+02 3.203653928e+02 3.203022569e+02 1.074544733e+02 2.010146041e+02 2.954672900e+02 1.280887199e+02 1.985386267e+02 1.32 3.008733223e+02 1.819745096e+02 2.671558803e+02 3.008177271e+02 3.007787480e+02 9.935615029e+01 1.876463773e+02 2.770971923e+02 1.186545789e+02 1.853134982e+02 1.34 2.825010493e+02 1.696489424e+02 2.504988814e+02 2.825107933e+02 2.825044931e+02 9.179115994e+01 1.751531300e+02 2.598919085e+02 1.098448564e+02 1.729658913e+02 1.36 2.652671684e+02 1.581285460e+02 2.348833035e+02 2.653462483e+02 2.653744740e+02 8.472705217e+01 1.634670533e+02 2.437789514e+02 1.016114195e+02 1.614417808e+02 1.38 2.491112575e+02 1.473608456e+02 2.202253186e+02 2.492408148e+02 2.492988536e+02 7.812929885e+01 1.525292971e+02 2.286921874e+02 9.391188394e+01 1.506809322e+02 1.40 2.339747364e+02 1.372913092e+02 2.064557707e+02 2.341221762e+02 2.342006859e+02 7.196123635e+01 1.422893119e+02 2.145657711e+02 8.670978726e+01 1.406185517e+02 1.42 2.197935315e+02 1.278675463e+02 1.935255721e+02 2.199266218e+02 2.200142381e+02 6.618912887e+01 1.327027579e+02 2.013328856e+02 7.997281473e+01 1.311910120e+02 1.44 2.064997935e+02 1.190440004e+02 1.813990391e+02 2.065966243e+02 2.066823993e+02 6.078476790e+01 1.237276021e+02 1.889291865e+02 7.367159576e+01 1.223405197e+02 1.46 1.940274106e+02 1.107818988e+02 1.700424652e+02 1.940783188e+02 1.941529082e+02 5.572527828e+01 1.153195811e+02 1.772934430e+02 6.777752685e+01 1.140186154e+02 1.48 1.823139767e+02 1.030449983e+02 1.594130769e+02 1.823187736e+02 1.823743686e+02 5.098877987e+01 1.074318091e+02 1.663678036e+02 6.226233602e+01 1.061861683e+02 1.50 1.713019269e+02 9.579482767e+01 1.494593170e+02 1.712660936e+02 1.712960763e+02 4.655337750e+01 1.000185743e+02 1.560975380e+02 5.709883854e+01 9.881122133e+01 1.52 1.609378806e+02 8.899050639e+01 1.401257137e+02 1.608704262e+02 1.608697867e+02 4.239668289e+01 9.303917990e+01 1.464320903e+02 5.226263473e+01 9.186581806e+01 1.54 1.511736524e+02 8.259174705e+01 1.313574530e+02 1.510861584e+02 1.510528538e+02 3.849605654e+01 8.646007715e+01 1.373272161e+02 4.773189706e+01 8.532511713e+01 1.56 1.419658700e+02 7.656358743e+01 1.231028023e+02 1.418717126e+02 1.418083601e+02 3.482874157e+01 8.025395727e+01 1.287451363e+02 4.348612857e+01 7.916608950e+01 1.58 1.332767172e+02 7.087899199e+01 1.153162542e+02 1.331891937e+02 1.331036428e+02 3.137361152e+01 7.439801752e+01 1.206530645e+02 3.950503779e+01 7.336736748e+01 1.60 1.250731107e+02 6.551813210e+01 1.079604849e+02 1.250033412e+02 1.249074715e+02 2.811263613e+01 6.887234067e+01 1.130215165e+02 3.576841162e+01 6.790863310e+01 1.62 1.173268628e+02 6.046499292e+01 1.010067167e+02 1.172811895e+02 1.171879466e+02 2.503174310e+01 6.365868154e+01 1.058233418e+02 3.225702462e+01 6.277128569e+01 1.64 1.100141297e+02 5.570374749e+01 9.443301667e+01 1.099925558e+02 1.099130406e+02 2.212023201e+01 5.874023490e+01 9.903229349e+01 2.895369448e+01 5.793872400e+01 1.66 1.031120804e+02 5.121689800e+01 8.822035412e+01 1.031093835e+02 1.030511534e+02 1.936939311e+01 5.410180579e+01 9.262197333e+01 2.584330143e+01 5.339505299e+01 1.68 9.659662663e+01 4.698539822e+01 8.234948853e+01 9.660547543e+01 9.657238413e+01 1.681178041e+01 4.972982571e+01 8.656528734e+01 2.291235737e+01 4.912427297e+01 1.70 9.044151720e+01 4.299032290e+01 7.680068006e+01 9.045606217e+01 9.044896237e+01 1.450717785e+01 4.561211747e+01 8.083490329e+01 2.014829821e+01 4.510914341e+01 1.72 8.461941038e+01 3.921468089e+01 7.155479464e+01 8.463710716e+01 8.465469602e+01 1.243599794e+01 4.173661833e+01 7.540541140e+01 1.753893563e+01 4.133278905e+01 1.74 7.910427072e+01 3.564428072e+01 6.659347424e+01 7.912545419e+01 7.916492824e+01 1.057783544e+01 3.809065529e+01 7.025487429e+01 1.507738812e+01 3.777926273e+01 1.76 7.387137569e+01 3.226783680e+01 6.189866633e+01 7.389854710e+01 7.395622301e+01 8.912557416e+00 3.466043521e+01 6.536564705e+01 1.282632657e+01 3.443305547e+01 1.78 6.889943950e+01 2.907668565e+01 5.745165914e+01 6.893577094e+01 6.900747063e+01 7.420015226e+00 3.143119776e+01 6.072469564e+01 1.079229505e+01 3.127886886e+01 1.80 6.417161661e+01 2.606389585e+01 5.323315475e+01 6.421985465e+01 6.430110820e+01 6.080812461e+00 2.838820096e+01 5.632301554e+01 8.957264062e+00 2.830153783e+01 1.82 5.967636488e+01 2.322314624e+01 4.922445645e+01 5.973735707e+01 5.982330985e+01 4.877267106e+00 2.551714906e+01 5.215348956e+01 7.305405150e+00 2.548628779e+01 1.84 5.540692655e+01 2.054725804e+01 4.540938163e+01 5.547880373e+01 5.556426526e+01 3.794265251e+00 2.280488645e+01 4.820930050e+01 5.822127436e+00 2.281927403e+01 1.86 5.135923443e+01 1.802750048e+01 4.177514182e+01 5.143682340e+01 5.151637220e+01 2.819173867e+00 2.023947102e+01 4.448206875e+01 4.493264952e+00 2.028787867e+01 1.88 4.752882820e+01 1.565350660e+01 3.831348763e+01 4.760457694e+01 4.767307820e+01 1.941661237e+00 1.781053002e+01 4.096093968e+01 3.304809383e+00 1.788088896e+01 1.90 4.390846799e+01 1.341533710e+01 3.502007931e+01 4.397409464e+01 4.402729747e+01 1.153144518e+00 1.550934122e+01 3.763300329e+01 2.243287010e+00 1.558872972e+01 1.92 4.048721614e+01 1.135670822e+01 3.189313633e+01 4.053569201e+01 4.057067070e+01 4.462451541e-01 1.333686042e+01 3.448440652e+01 1.296153319e+00 1.342060111e+01 1.94 3.725171570e+01 9.487056333e+00 2.893128153e+01 3.727841899e+01 3.729362678e+01 -1.857308601e-01 1.134842716e+01 3.150148578e+01 4.521930418e-01 1.143310498e+01 1.96 3.418784423e+01 7.787507135e+00 2.613194905e+01 3.419095619e+01 3.418603276e+01 -7.490744464e-01 9.542173868e+00 2.867170897e+01 -2.984311958e-01 9.620710158e+00 1.98 3.128210706e+01 6.242250114e+00 2.349021887e+01 3.126214839e+01 3.123769586e+01 -1.249765129e+00 7.902443515e+00 2.598368792e+01 -9.642698939e-01 7.972598571e+00 2.00 2.852236090e+01 4.838015513e+00 2.099861082e+01 2.848148974e+01 2.843895014e+01 -1.693422057e+00 6.414454840e+00 2.342732675e+01 -1.552906672e+00 6.478499138e+00 2.02 2.589761539e+01 3.563647995e+00 1.864770373e+01 2.583928077e+01 2.578108698e+01 -2.085201743e+00 5.064578382e+00 2.099350848e+01 -2.071263090e+00 5.127726803e+00 2.04 2.339791625e+01 2.409748379e+00 1.642709374e+01 2.332641868e+01 2.325597759e+01 -2.429806536e+00 3.840626181e+00 1.867426693e+01 -2.525850053e+00 3.909042932e+00 2.06 2.101415590e+01 1.368138185e+00 1.432646149e+01 2.093451746e+01 2.085623565e+01 -2.731556958e+00 2.731796074e+00 1.646264224e+01 -2.922830460e+00 2.810993832e+00 2.08 1.873806115e+01 4.314801605e-01 1.235139492e+01 1.865582764e+01 1.857488042e+01 -2.994504936e+00 1.728693224e+00 1.435299683e+01 -3.267990542e+00 1.822565329e+00 2.10 1.656268830e+01 -4.071254296e-01 1.054316857e+01 1.648341641e+01 1.640524277e+01 -3.222588090e+00 8.231532574e-01 1.235281857e+01 -3.566697830e+00 9.338373180e-01 2.12 1.448225361e+01 -1.154510670e+00 8.890951443e+00 1.441113854e+01 1.434089429e+01 -3.419554691e+00 7.885544318e-03 1.051236144e+01 -3.823816206e+00 1.361268691e-01 2.14 1.250179630e+01 -1.817642495e+00 7.381061470e+00 1.244529857e+01 1.238943527e+01 -3.590153748e+00 -7.236436048e-01 8.828232972e+00 -4.043709344e+00 -5.779591617e-01 2.16 1.067296500e+01 -2.403666502e+00 6.001237282e+00 1.063419019e+01 1.059586744e+01 -3.741935117e+00 -1.377501346e+00 7.290272542e+00 -4.230327029e+00 -1.215017166e+00 2.18 8.997443728e+00 -2.919740782e+00 4.740426601e+00 8.975491278e+00 8.953837171e+00 -3.876609548e+00 -1.959350915e+00 5.888847571e+00 -4.387231041e+00 -1.781202466e+00 2.20 7.466811829e+00 -3.372849023e+00 3.588604264e+00 7.459393256e+00 7.452168352e+00 -3.995071434e+00 -2.474548458e+00 4.614464171e+00 -4.518188259e+00 -2.282600356e+00 2.22 6.072214990e+00 -3.769530585e+00 2.536836885e+00 6.076253139e+00 6.080415412e+00 -4.098145418e+00 -2.928264232e+00 3.457644231e+00 -4.630960349e+00 -2.725306056e+00 2.24 4.804073490e+00 -4.115716981e+00 1.577068171e+00 4.816296255e+00 4.828597803e+00 -4.186374847e+00 -3.325527843e+00 2.408941700e+00 -4.727936606e+00 -3.115285048e+00 2.26 3.652391066e+00 -4.416604346e+00 7.022181875e-01 3.669752603e+00 3.687163661e+00 -4.260197008e+00 -3.671286945e+00 1.459189346e+00 -4.809891443e+00 -3.458110948e+00 2.28 2.607126391e+00 -4.676665911e+00 -9.396164599e-02 2.627061738e+00 2.647027889e+00 -4.319938695e+00 -3.970415020e+00 5.997782444e-01 -4.877541160e+00 -3.758784378e+00 2.30 1.658734129e+00 -4.899726139e+00 -8.169582626e-01 1.679237849e+00 1.699766005e+00 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