# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Howells-C-A-Mishin-Y--Cr-Ni # implementation = 2018--Howells-C-A--Cr-Ni--LAMMPS--ipr1 # composition = Cr # 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 5.139963868e+02 nan 0.70 nan nan nan nan nan nan nan nan 4.671537906e+02 nan 0.72 nan nan nan nan nan 3.595887600e+02 nan nan 4.259234212e+02 nan 0.74 nan nan nan nan nan 3.303242718e+02 nan nan 3.894064375e+02 nan 0.76 nan nan nan nan nan 3.043969664e+02 nan nan 3.566783345e+02 nan 0.78 nan nan nan nan nan 2.812385507e+02 nan nan 3.272271801e+02 nan 0.80 nan nan nan nan nan 2.604485356e+02 nan nan 3.006276424e+02 nan 0.82 nan nan nan 5.701460035e+02 5.701737921e+02 2.416936624e+02 nan nan 2.764340673e+02 3.833770530e+02 0.84 nan 3.607585165e+02 nan 5.297801767e+02 5.297806701e+02 2.248719867e+02 3.617185333e+02 nan 2.546945056e+02 3.545462752e+02 0.86 nan 3.312716965e+02 nan 4.925799515e+02 4.925582225e+02 2.086895440e+02 3.340434219e+02 nan 2.352279720e+02 3.283414220e+02 0.88 nan 3.041887689e+02 nan 4.581661390e+02 4.581555525e+02 1.931115103e+02 3.088302030e+02 nan 2.176699881e+02 3.042908234e+02 0.90 nan 2.791818104e+02 nan 4.261192510e+02 4.261526103e+02 1.782023662e+02 2.856825879e+02 nan 2.009422993e+02 2.822057417e+02 0.92 nan 2.565280541e+02 nan 3.960477919e+02 3.960846016e+02 1.640521939e+02 2.642961462e+02 nan 1.850976559e+02 2.619329930e+02 0.94 3.676708654e+02 2.361866347e+02 3.295160178e+02 3.677760745e+02 3.677988481e+02 1.506071302e+02 2.445167826e+02 3.426046233e+02 1.701195164e+02 2.431075982e+02 0.96 3.410961711e+02 2.179973027e+02 3.050159471e+02 3.411167181e+02 3.411292061e+02 1.378316196e+02 2.263324465e+02 3.167921336e+02 1.560030685e+02 2.257540595e+02 0.98 3.158749299e+02 2.011183303e+02 2.821009293e+02 3.158253469e+02 3.158149445e+02 1.257232963e+02 2.093537486e+02 2.923466760e+02 1.427080170e+02 2.091633167e+02 1.00 2.918716267e+02 1.852580101e+02 2.607075753e+02 2.917561469e+02 2.917339478e+02 1.142628928e+02 1.931180726e+02 2.697837641e+02 1.301486313e+02 1.929392690e+02 1.02 2.695107901e+02 1.704412959e+02 2.409785332e+02 2.694442190e+02 2.694263431e+02 1.035508147e+02 1.778457183e+02 2.492284774e+02 1.184521307e+02 1.774865189e+02 1.04 2.493763948e+02 1.566872294e+02 2.233105986e+02 2.493969212e+02 2.493912074e+02 9.374736385e+01 1.636355969e+02 2.307579274e+02 1.077441001e+02 1.631652657e+02 1.06 2.312158653e+02 1.439742339e+02 2.072024501e+02 2.312830828e+02 2.312972307e+02 8.482854095e+01 1.504548743e+02 2.142503941e+02 9.789343339e+01 1.499864375e+02 1.08 2.149521737e+02 1.322523301e+02 1.920298245e+02 2.150299127e+02 2.150659185e+02 7.673286093e+01 1.382781160e+02 1.988459891e+02 8.883342141e+01 1.378407871e+02 1.10 1.998089316e+02 1.213899063e+02 1.779060609e+02 1.998671642e+02 1.998976453e+02 6.938587465e+01 1.270149475e+02 1.844246505e+02 8.054276266e+01 1.265859193e+02 1.12 1.856060895e+02 1.113468901e+02 1.648056261e+02 1.856295692e+02 1.856448093e+02 6.272605804e+01 1.165998948e+02 1.709924295e+02 7.298427223e+01 1.161531090e+02 1.14 1.723735510e+02 1.020762020e+02 1.526108437e+02 1.723531093e+02 1.723579960e+02 5.664023727e+01 1.069864931e+02 1.584670735e+02 6.608392821e+01 1.065294053e+02 1.16 1.599908049e+02 9.346977842e+01 1.412432609e+02 1.599562105e+02 1.599572693e+02 5.107187015e+01 9.807984491e+01 1.467938802e+02 5.977144604e+01 9.763105017e+01 1.18 1.484162597e+02 8.549704823e+01 1.306501893e+02 1.483966103e+02 1.483922245e+02 4.601046960e+01 8.982504833e+01 1.359152133e+02 5.399276461e+01 8.938705780e+01 1.20 1.376332639e+02 7.813913101e+01 1.207916822e+02 1.376156049e+02 1.376015307e+02 4.141666766e+01 8.218822778e+01 1.257628027e+02 4.870841546e+01 8.175575393e+01 1.22 1.275559373e+02 7.135068742e+01 1.115994563e+02 1.275340450e+02 1.275156454e+02 3.723198142e+01 7.514561935e+01 1.162776298e+02 4.391476010e+01 7.470847809e+01 1.24 1.181193417e+02 6.510487057e+01 1.030257628e+02 1.181105643e+02 1.180994645e+02 3.340560127e+01 6.866343762e+01 1.074502835e+02 3.960651334e+01 6.819747881e+01 1.26 1.093387712e+02 5.936908469e+01 9.504613264e+01 1.093413524e+02 1.093413146e+02 2.990553793e+01 6.267114579e+01 9.924730549e+01 3.570603002e+01 6.220004888e+01 1.28 1.011812016e+02 5.408390197e+01 8.761823227e+01 1.011895584e+02 1.011944004e+02 2.669268120e+01 5.713032390e+01 9.160726366e+01 3.214661547e+01 5.669368999e+01 1.30 9.355592232e+01 4.917774754e+01 8.071341429e+01 9.357236144e+01 9.357830378e+01 2.374683946e+01 5.201156364e+01 8.447047753e+01 2.890628241e+01 5.163934668e+01 1.32 8.639943716e+01 4.463842150e+01 7.429660047e+01 8.643390991e+01 8.644224758e+01 2.106369239e+01 4.728240721e+01 7.781801225e+01 2.595207778e+01 4.700338966e+01 1.34 7.972774369e+01 4.048466091e+01 6.833122490e+01 7.976291475e+01 7.977036924e+01 1.864214711e+01 4.293962021e+01 7.165083132e+01 2.323811736e+01 4.276581576e+01 1.36 7.354765364e+01 3.671617879e+01 6.279622136e+01 7.356205606e+01 7.356698424e+01 1.645114079e+01 3.898394501e+01 6.594341055e+01 2.072898378e+01 3.889827500e+01 1.38 6.783327953e+01 3.326381520e+01 5.765757578e+01 6.781224892e+01 6.781387187e+01 1.444860423e+01 3.538779009e+01 6.064681410e+01 1.841442198e+01 3.536438625e+01 1.40 6.251213357e+01 3.007509303e+01 5.288995657e+01 6.247321836e+01 6.247362101e+01 1.263005767e+01 3.210597201e+01 5.571839830e+01 1.630243805e+01 3.211853856e+01 1.42 5.753467192e+01 2.714922777e+01 4.847099388e+01 5.750741038e+01 5.750992692e+01 1.101657044e+01 2.910793944e+01 5.112642714e+01 1.437800762e+01 2.912907844e+01 1.44 5.290682464e+01 2.447824568e+01 4.437605438e+01 5.289694731e+01 5.290278716e+01 9.592476300e+00 2.636879719e+01 4.684414857e+01 1.260719401e+01 2.638571004e+01 1.46 4.858451077e+01 2.203081362e+01 4.058286202e+01 4.859351579e+01 4.860413878e+01 8.322697877e+00 2.384471570e+01 4.286210279e+01 1.098228835e+01 2.385774745e+01 1.48 4.454833904e+01 1.977316961e+01 3.707236409e+01 4.457121933e+01 4.458415793e+01 7.169777025e+00 2.149608600e+01 3.918840388e+01 9.508915174e+00 2.151922322e+01 1.50 4.080939662e+01 1.767252495e+01 3.382158658e+01 4.083364001e+01 4.084337950e+01 6.111886355e+00 1.931526782e+01 3.581379243e+01 8.182151052e+00 1.934930409e+01 1.52 3.736787765e+01 1.571549936e+01 3.081707424e+01 3.739214233e+01 3.739757397e+01 5.150509334e+00 1.729535669e+01 3.270137710e+01 6.989484967e+00 1.732679442e+01 1.54 3.419658292e+01 1.391663888e+01 2.803949718e+01 3.422478709e+01 3.422824549e+01 4.278825039e+00 1.543746141e+01 2.982954634e+01 5.910135405e+00 1.545180629e+01 1.56 3.127027113e+01 1.228032437e+01 2.547216881e+01 3.129909368e+01 3.130345218e+01 3.490404748e+00 1.373979987e+01 2.718637663e+01 4.918171349e+00 1.373441651e+01 1.58 2.856800977e+01 1.078552401e+01 2.310193947e+01 2.859151856e+01 2.859995078e+01 2.788508159e+00 1.218189084e+01 2.475157150e+01 3.995406624e+00 1.214736285e+01 1.60 2.606790621e+01 9.419398699e+00 2.091337494e+01 2.608543946e+01 2.609878021e+01 2.172099100e+00 1.073785897e+01 2.249570120e+01 3.142907423e+00 1.066667350e+01 1.62 2.375629561e+01 8.180407770e+00 1.889377015e+01 2.376410052e+01 2.377713516e+01 1.637334109e+00 9.404353937e+00 2.039992503e+01 2.370194353e+00 9.303911336e+00 1.64 2.162139412e+01 7.060671401e+00 1.703037981e+01 2.160851210e+01 2.161266180e+01 1.174611732e+00 8.184630225e+00 1.845061777e+01 1.683554427e+00 8.079190009e+00 1.66 1.963913658e+01 6.041722490e+00 1.531284666e+01 1.960430798e+01 1.959724024e+01 7.671153736e-01 7.079535300e+00 1.663148406e+01 1.080092559e+00 6.976320901e+00 1.68 1.777929961e+01 5.108168422e+00 1.372918377e+01 1.773308889e+01 1.771744089e+01 4.005967675e-01 6.077929380e+00 1.493501002e+01 5.515712213e-01 5.959892201e+00 1.70 1.602640108e+01 4.249632826e+00 1.226845478e+01 1.598427801e+01 1.596453675e+01 6.822272631e-02 5.158699658e+00 1.336075158e+01 8.312987388e-02 5.009677521e+00 1.72 1.439608881e+01 3.461260262e+00 1.092422006e+01 1.436522478e+01 1.434363273e+01 -2.224872283e-01 4.308124107e+00 1.191122167e+01 -3.391650834e-01 4.128679910e+00 1.74 1.289270836e+01 2.736014989e+00 9.684786183e+00 1.287306062e+01 1.285065479e+01 -4.717258589e-01 3.510586821e+00 1.056927419e+01 -7.215391158e-01 3.314533322e+00 1.76 1.150449545e+01 2.068938762e+00 8.542921386e+00 1.149150421e+01 1.146906888e+01 -6.887070447e-01 2.757254013e+00 9.327555858e+00 -1.068935137e+00 2.565674112e+00 1.78 1.021175141e+01 1.460663820e+00 7.492363754e+00 1.020423241e+01 1.018345325e+01 -8.885831220e-01 2.051937928e+00 8.189751437e+00 -1.380111948e+00 1.881539381e+00 1.80 9.011641631e+00 9.133904030e-01 6.522557774e+00 9.011182756e+00 8.993886357e+00 -1.082153754e+00 1.404930377e+00 7.162158964e+00 -1.654063959e+00 1.259561261e+00 1.82 7.914595481e+00 4.302797440e-01 5.630482529e+00 7.919826714e+00 7.905880599e+00 -1.262896475e+00 8.215629397e-01 6.238785635e+00 -1.890517807e+00 7.011553601e-01 1.84 6.929879609e+00 3.178667563e-03 4.808388444e+00 6.935650391e+00 6.923528178e+00 -1.427202333e+00 2.987090738e-01 5.400066553e+00 -2.091148021e+00 2.043630691e-01 1.86 6.051610311e+00 -3.822018691e-01 4.050370224e+00 6.050428972e+00 6.038798031e+00 -1.575388558e+00 -1.682421127e-01 4.625832470e+00 -2.262342131e+00 -2.375119775e-01 1.88 5.257425754e+00 -7.408833286e-01 3.351740988e+00 5.244730344e+00 5.234017246e+00 -1.706609706e+00 -5.879761525e-01 3.901938676e+00 -2.414579722e+00 -6.359451522e-01 1.90 4.516402488e+00 -1.080054315e+00 2.707397530e+00 4.497443862e+00 4.490474960e+00 -1.818878100e+00 -9.669345506e-01 3.214172568e+00 -2.553559010e+00 -9.968164122e-01 1.92 3.805650368e+00 -1.395378355e+00 2.112619330e+00 3.792214230e+00 3.792843243e+00 -1.909359991e+00 -1.307313120e+00 2.560934041e+00 -2.678625809e+00 -1.322038571e+00 1.94 3.128157583e+00 -1.689391059e+00 1.564224995e+00 3.126118077e+00 3.134727343e+00 -1.975538860e+00 -1.613654277e+00 1.948172816e+00 -2.788077847e+00 -1.613220350e+00 1.96 2.491161298e+00 -1.964503317e+00 1.056870750e+00 2.498995404e+00 2.512140231e+00 -2.019195733e+00 -1.891888522e+00 1.381896631e+00 -2.883618748e+00 -1.870690191e+00 1.98 1.895106911e+00 -2.221453120e+00 5.879351790e-01 1.909633960e+00 1.924006009e+00 -2.051508205e+00 -2.147393044e+00 8.643098060e-01 -2.962978743e+00 -2.094218590e+00 2.00 1.344042819e+00 -2.459434895e+00 1.555695996e-01 1.362278000e+00 1.377124319e+00 -2.084101094e+00 -2.382487762e+00 3.937726359e-01 -3.022675571e+00 -2.284483970e+00 2.02 8.395519926e-01 -2.676979428e+00 -2.465366870e-01 8.585007047e-01 8.743186637e-01 -2.124795361e+00 -2.596144747e+00 -3.419382805e-02 -3.061933815e+00 -2.445376714e+00 2.04 3.795279561e-01 -2.874891895e+00 -6.176100763e-01 3.992365074e-01 4.175316284e-01 -2.176269242e+00 -2.786183566e+00 -4.219140001e-01 -3.081974105e+00 -2.585587915e+00 2.06 -4.082842258e-02 -3.053947581e+00 -9.616255473e-01 -1.778631037e-02 4.991573803e-03 -2.207809511e+00 -2.954583604e+00 -7.719644001e-01 -3.087836178e+00 -2.717656563e+00 2.08 -4.243751897e-01 -3.213386070e+00 -1.280763933e+00 -3.955866505e-01 -3.667991019e-01 -2.194011767e+00 -3.102873678e+00 -1.092312100e+00 -3.087087636e+00 -2.846520647e+00 2.10 -7.732663117e-01 -3.351892511e+00 -1.576508382e+00 -7.388391601e-01 -7.044120086e-01 -2.166057805e+00 -3.231769805e+00 -1.386569455e+00 -3.083325873e+00 -2.963869137e+00 2.12 -1.093814954e+00 -3.469003467e+00 -1.850795943e+00 -1.056901303e+00 -1.019987651e+00 -2.131255099e+00 -3.341558600e+00 -1.658267305e+00 -3.076826971e+00 -3.065425776e+00 2.14 -1.387437935e+00 -3.565746869e+00 -2.105115291e+00 -1.352212554e+00 -1.316987174e+00 -2.092896669e+00 -3.432854052e+00 -1.911420622e+00 -3.070944126e+00 -3.149561837e+00 2.16 -1.653999245e+00 -3.644422928e+00 -2.340753379e+00 -1.623172380e+00 -1.592345515e+00 -2.056184473e+00 -3.507032292e+00 -2.146866256e+00 -3.070574871e+00 -3.214387770e+00 2.18 -1.894589945e+00 -3.707175108e+00 -2.558860732e+00 -1.870306193e+00 -1.846022441e+00 -2.028322522e+00 -3.566172629e+00 -2.361786031e+00 -3.062532377e+00 -3.258511369e+00 2.20 -2.111402477e+00 -3.756813469e+00 -2.760446576e+00 -2.095493626e+00 -2.079584776e+00 -2.015329735e+00 -3.611981708e+00 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