# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--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 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 7.020720427e+02 nan 0.72 nan nan nan nan nan nan nan nan 6.405874306e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.849055462e+02 nan 0.76 nan nan nan nan nan 4.559900098e+02 nan nan 5.347897073e+02 nan 0.78 nan nan nan nan nan 4.177786380e+02 nan nan 4.899539374e+02 nan 0.80 nan nan nan nan nan 3.839124174e+02 nan nan 4.497216271e+02 nan 0.82 nan nan nan nan nan 3.538050675e+02 nan nan 4.132266506e+02 nan 0.84 nan nan nan nan nan 3.264134724e+02 nan nan 3.804400405e+02 nan 0.86 nan 4.888798852e+02 nan 7.144997126e+02 7.136683481e+02 3.009444834e+02 nan nan 3.506324841e+02 4.879252050e+02 0.88 nan 4.525625220e+02 nan 6.632807033e+02 6.628391229e+02 2.773922083e+02 4.596015749e+02 nan 3.233348125e+02 4.505953217e+02 0.90 nan 4.192680584e+02 nan 6.165585868e+02 6.163611654e+02 2.559337087e+02 4.250218675e+02 nan 2.985816605e+02 4.172040559e+02 0.92 nan 3.884143756e+02 nan 5.738133575e+02 5.738818548e+02 2.359974954e+02 3.935564744e+02 nan 2.762367691e+02 3.866505733e+02 0.94 nan 3.600563632e+02 nan 5.346779965e+02 5.349940746e+02 2.180383623e+02 3.651120827e+02 nan 2.559625970e+02 3.590235700e+02 0.96 nan 3.341455570e+02 nan 4.982666376e+02 4.987577981e+02 2.019525562e+02 3.390464722e+02 nan 2.373232813e+02 3.339733527e+02 0.98 4.638266746e+02 3.107073500e+02 4.236740707e+02 4.643501824e+02 4.649913152e+02 1.870200778e+02 3.151946443e+02 4.335445989e+02 2.202355792e+02 3.108508105e+02 1.00 4.324102604e+02 2.894453627e+02 3.944457044e+02 4.333042649e+02 4.339191973e+02 1.730344145e+02 2.932077438e+02 4.047542685e+02 2.047971423e+02 2.895464593e+02 1.02 4.044836080e+02 2.697269978e+02 3.669965097e+02 4.051539199e+02 4.055129149e+02 1.598715972e+02 2.728547621e+02 3.785164998e+02 1.906015601e+02 2.699798640e+02 1.04 3.788256925e+02 2.514182165e+02 3.420179124e+02 3.790660073e+02 3.791969068e+02 1.476128819e+02 2.542577497e+02 3.541605885e+02 1.773201007e+02 2.519303296e+02 1.06 3.549744211e+02 2.343429551e+02 3.193930976e+02 3.547859448e+02 3.546279979e+02 1.364923110e+02 2.375028485e+02 3.315626154e+02 1.647602953e+02 2.351552943e+02 1.08 3.327969138e+02 2.183179105e+02 2.988640136e+02 3.322538255e+02 3.317861309e+02 1.263903261e+02 2.222320792e+02 3.105407697e+02 1.529574877e+02 2.198071198e+02 1.10 3.122257311e+02 2.033047217e+02 2.799330181e+02 3.113622205e+02 3.106665749e+02 1.170302013e+02 2.081537729e+02 2.906932816e+02 1.420162211e+02 2.058747535e+02 1.12 2.927267365e+02 1.892045269e+02 2.623039270e+02 2.919105643e+02 2.912646552e+02 1.082542901e+02 1.950166457e+02 2.719012783e+02 1.317767523e+02 1.927064526e+02 1.14 2.740079482e+02 1.761873052e+02 2.458827363e+02 2.735723432e+02 2.731877248e+02 9.999602146e+01 1.826862042e+02 2.542536522e+02 1.221930108e+02 1.800913422e+02 1.16 2.560850351e+02 1.644236662e+02 2.306915196e+02 2.561232031e+02 2.560672842e+02 9.235203688e+01 1.711651028e+02 2.377158545e+02 1.132251314e+02 1.680182780e+02 1.18 2.396116680e+02 1.538538351e+02 2.164606220e+02 2.399649470e+02 2.401663718e+02 8.521546277e+01 1.602688298e+02 2.226150565e+02 1.048531209e+02 1.568637147e+02 1.20 2.249083845e+02 1.442039563e+02 2.030454061e+02 2.253417416e+02 2.256418267e+02 7.849767550e+01 1.499049491e+02 2.089434680e+02 9.716048458e+01 1.468495097e+02 1.22 2.114317983e+02 1.352948678e+02 1.905177332e+02 2.118518550e+02 2.121915618e+02 7.221085141e+01 1.402017382e+02 1.963329353e+02 9.007257727e+01 1.374617456e+02 1.24 1.989343039e+02 1.270200943e+02 1.789593049e+02 1.992923036e+02 1.996372184e+02 6.641104315e+01 1.310575416e+02 1.846420336e+02 8.343008677e+01 1.285248159e+02 1.26 1.873257700e+02 1.192449755e+02 1.683355955e+02 1.875803180e+02 1.878868792e+02 6.116620330e+01 1.224894418e+02 1.737738408e+02 7.721576560e+01 1.200988373e+02 1.28 1.764509545e+02 1.118837545e+02 1.584408045e+02 1.766176988e+02 1.768552623e+02 5.641290656e+01 1.145767802e+02 1.637034657e+02 7.140820251e+01 1.121984105e+02 1.30 1.662852198e+02 1.049293894e+02 1.491032996e+02 1.663605874e+02 1.664994054e+02 5.205112616e+01 1.071261570e+02 1.544266768e+02 6.598499940e+01 1.047736166e+02 1.32 1.569529686e+02 9.840233830e+01 1.403314659e+02 1.568605212e+02 1.568422188e+02 4.800554935e+01 1.000321176e+02 1.457900186e+02 6.093494210e+01 9.780823277e+01 1.34 1.484043598e+02 9.222362192e+01 1.320798027e+02 1.480794868e+02 1.478525254e+02 4.420514806e+01 9.328664039e+01 1.376566969e+02 5.622167908e+01 9.126094112e+01 1.36 1.403178627e+02 8.625320381e+01 1.242487535e+02 1.398227428e+02 1.394186850e+02 4.063368916e+01 8.690136899e+01 1.298970881e+02 5.187717745e+01 8.502059017e+01 1.38 1.325378767e+02 8.046995186e+01 1.170839386e+02 1.320517191e+02 1.316015501e+02 3.743790250e+01 8.091102126e+01 1.224487064e+02 4.791939494e+01 7.906958026e+01 1.40 1.250826862e+02 7.496147184e+01 1.106691905e+02 1.247553775e+02 1.243919040e+02 3.467189731e+01 7.531258875e+01 1.153066765e+02 4.427522755e+01 7.343887803e+01 1.42 1.179385640e+02 6.987177209e+01 1.046445463e+02 1.177939101e+02 1.175612347e+02 3.216851055e+01 7.003829840e+01 1.084186055e+02 4.088727115e+01 6.814177865e+01 1.44 1.110730884e+02 6.513786775e+01 9.879884694e+01 1.110914545e+02 1.109918334e+02 2.982959983e+01 6.507540871e+01 1.017660368e+02 3.771123576e+01 6.324395295e+01 1.46 1.044498124e+02 6.065446666e+01 9.310274821e+01 1.046041917e+02 1.046335378e+02 2.763292639e+01 6.046653944e+01 9.540596770e+01 3.473983729e+01 5.876031001e+01 1.48 9.804065143e+01 5.644480592e+01 8.759183761e+01 9.831237040e+01 9.846833833e+01 2.558155342e+01 5.621713300e+01 8.941270894e+01 3.198468209e+01 5.460472974e+01 1.50 9.189169812e+01 5.246856688e+01 8.229087189e+01 9.224382535e+01 9.251898563e+01 2.367136155e+01 5.230806932e+01 8.385132501e+01 2.940982702e+01 5.074187126e+01 1.52 8.623110318e+01 4.869575327e+01 7.717959408e+01 8.660019609e+01 8.695726317e+01 2.186016831e+01 4.869711737e+01 7.880920697e+01 2.696774842e+01 4.721679272e+01 1.54 8.117841597e+01 4.515390335e+01 7.225719849e+01 8.150419407e+01 8.187837119e+01 2.011640592e+01 4.533247237e+01 7.416451044e+01 2.462766565e+01 4.403747307e+01 1.56 7.653612161e+01 4.182890149e+01 6.754152103e+01 7.678186786e+01 7.711884405e+01 1.842604786e+01 4.217361563e+01 6.977398498e+01 2.237635031e+01 4.110393595e+01 1.58 7.212500778e+01 3.868188236e+01 6.304173026e+01 7.226985055e+01 7.253146641e+01 1.679485113e+01 3.919517018e+01 6.561947578e+01 2.021773658e+01 3.832696651e+01 1.60 6.794495844e+01 3.567400054e+01 5.879571612e+01 6.798728435e+01 6.814946797e+01 1.527913637e+01 3.638079801e+01 6.169370541e+01 1.817388508e+01 3.568211174e+01 1.62 6.398828214e+01 3.278285026e+01 5.487547340e+01 6.394217158e+01 6.400134835e+01 1.396976399e+01 3.374832166e+01 5.797670776e+01 1.628558500e+01 3.316247161e+01 1.64 6.023379990e+01 2.999132762e+01 5.127252880e+01 6.012691739e+01 6.009429243e+01 1.286422321e+01 3.128691953e+01 5.443927218e+01 1.455968992e+01 3.075615135e+01 1.66 5.665814740e+01 2.732391382e+01 4.787670201e+01 5.652103964e+01 5.640968396e+01 1.185740883e+01 2.894496757e+01 5.106282344e+01 1.295315365e+01 2.844486375e+01 1.68 5.325575162e+01 2.479675972e+01 4.463781376e+01 5.310846721e+01 5.293020013e+01 1.089650749e+01 2.669264714e+01 4.783771964e+01 1.142583523e+01 2.622804989e+01 1.70 5.001697250e+01 2.240519236e+01 4.154658050e+01 4.986627541e+01 4.963695140e+01 9.972802031e+00 2.450904225e+01 4.475704381e+01 9.968734814e+00 2.410805017e+01 1.72 4.692546242e+01 2.014397657e+01 3.859606596e+01 4.676478274e+01 4.650567360e+01 9.082419784e+00 2.237815397e+01 4.180657436e+01 8.581547050e+00 2.208052226e+01 1.74 4.394599514e+01 1.800528096e+01 3.577298819e+01 4.378142024e+01 4.351975528e+01 8.217836518e+00 2.029473700e+01 3.897540056e+01 7.278469142e+00 2.011469214e+01 1.76 4.106703447e+01 1.598438147e+01 3.310224603e+01 4.091142201e+01 4.067249277e+01 7.381972828e+00 1.826685857e+01 3.626683938e+01 6.099616292e+00 1.819404950e+01 1.78 3.829404708e+01 1.407091368e+01 3.059821720e+01 3.815116503e+01 3.794895286e+01 6.586786491e+00 1.631286124e+01 3.367305505e+01 5.074553703e+00 1.632039475e+01 1.80 3.563250503e+01 1.225140346e+01 2.825923234e+01 3.549882701e+01 3.534008788e+01 5.838734373e+00 1.448458396e+01 3.116564498e+01 4.166271475e+00 1.450324692e+01 1.82 3.306859368e+01 1.054708423e+01 2.607674767e+01 3.294081368e+01 3.282902650e+01 5.139468819e+00 1.281531624e+01 2.871994479e+01 3.323355524e+00 1.275065113e+01 1.84 3.057666207e+01 8.956327166e+00 2.401737552e+01 3.046617950e+01 3.040603462e+01 4.475838787e+00 1.126236960e+01 2.632647228e+01 2.521937363e+00 1.107838262e+01 1.86 2.816900872e+01 7.480355598e+00 2.206008220e+01 2.809605039e+01 2.809050963e+01 3.845423218e+00 9.779048904e+00 2.401287645e+01 1.758175963e+00 9.559355266e+00 1.88 2.587080356e+01 6.121246929e+00 2.019160087e+01 2.585510041e+01 2.590271244e+01 3.251241675e+00 8.356624233e+00 2.180828350e+01 1.037079895e+00 8.248199129e+00 1.90 2.367153309e+01 4.877206063e+00 1.839503091e+01 2.372035381e+01 2.381421633e+01 2.694417043e+00 6.997401672e+00 1.970621312e+01 3.607115415e-01 7.094588921e+00 1.92 2.154863261e+01 3.743414864e+00 1.665384572e+01 2.165481965e+01 2.178463401e+01 2.172630443e+00 5.707382451e+00 1.768922700e+01 -2.687510981e-01 6.025965732e+00 1.94 1.949865924e+01 2.707761623e+00 1.495129504e+01 1.964950040e+01 1.980561472e+01 1.671479688e+00 4.481863924e+00 1.574863622e+01 -8.507575840e-01 5.009650413e+00 1.96 1.752182094e+01 1.758320167e+00 1.327292932e+01 1.770354007e+01 1.787809275e+01 1.175130742e+00 3.320493433e+00 1.389756528e+01 -1.390069063e+00 4.033867240e+00 1.98 1.561720921e+01 8.882591934e-01 1.162381819e+01 1.581784965e+01 1.600394007e+01 6.814946857e-01 2.225699903e+00 1.216323710e+01 -1.893067385e+00 3.090884636e+00 2.00 1.378407127e+01 8.772157051e-02 1.001186124e+01 1.399354593e+01 1.418390697e+01 1.916300540e-01 1.196011025e+00 1.053970764e+01 -2.367578119e+00 2.173231229e+00 2.02 1.204699153e+01 -6.532012066e-01 8.457825818e+00 1.225354467e+01 1.243873117e+01 -2.850001179e-01 2.342227849e-01 9.031544022e+00 -2.814827586e+00 1.289124867e+00 2.04 1.044969549e+01 -1.346538549e+00 6.995493902e+00 1.063775447e+01 1.080682520e+01 -7.322689757e-01 -6.510897592e-01 7.645372182e+00 -3.230237109e+00 4.648389631e-01 2.06 8.989578543e+00 -2.007666234e+00 5.628475647e+00 9.142830182e+00 9.284411272e+00 -1.149709600e+00 -1.464059775e+00 6.368199785e+00 -3.620522273e+00 -2.963183460e-01 2.08 7.643486312e+00 -2.644862075e+00 4.357539175e+00 7.753268031e+00 7.858884282e+00 -1.538721907e+00 -2.200344087e+00 5.184721952e+00 -3.987245113e+00 -9.932850300e-01 2.10 6.399115654e+00 -3.264837189e+00 3.183213369e+00 6.462577887e+00 6.527543649e+00 -1.900820487e+00 -2.846376947e+00 4.086088827e+00 -4.329224974e+00 -1.626390602e+00 2.12 5.249066568e+00 -3.864563588e+00 2.098343070e+00 5.265707918e+00 5.287390888e+00 -2.237519975e+00 -3.391552507e+00 3.065433595e+00 -4.640189536e+00 -2.200604749e+00 2.14 4.182886161e+00 -4.426068901e+00 1.091105502e+00 4.154729929e+00 4.132670860e+00 -2.549695590e+00 -3.849290484e+00 2.115139261e+00 -4.908732587e+00 -2.721758270e+00 2.16 3.189555722e+00 -4.930023914e+00 1.589626902e-01 3.122953929e+00 3.060821106e+00 -2.836239609e+00 -4.242584248e+00 1.228273616e+00 -5.128597234e+00 -3.195518100e+00 2.18 2.258043014e+00 -5.379537239e+00 -7.068874932e-01 2.160968787e+00 2.065934138e+00 -3.099252282e+00 -4.589961744e+00 3.978997863e-01 -5.309738386e+00 -3.627549751e+00 2.20 1.377484186e+00 -5.796548981e+00 -1.512437039e+00 1.259337639e+00 1.141694857e+00 -3.340004437e+00 -4.897938341e+00 -3.856834349e-01 -5.464730270e+00 -4.023463583e+00 2.22 5.420930959e-01 -6.198491443e+00 -2.260551088e+00 4.127797771e-01 2.834823723e-01 -3.558730614e+00 -5.171912297e+00 -1.125885922e+00 -5.600885792e+00 -4.385012014e+00 2.24 -2.509683536e-01 -6.585256014e+00 -2.952818862e+00 -3.820255243e-01 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