# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P # implementation = 2022--Chrobak-D--In-P--LAMMPS--ipr1 # composition = P # 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 2023-02-07 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 3.989108789e+03 nan nan nan nan 0.60 nan nan nan nan nan 3.478132027e+03 nan nan 4.006613734e+03 nan 0.62 nan nan nan nan nan 3.039908557e+03 nan nan 3.493491168e+03 nan 0.64 nan nan nan nan nan 2.662942648e+03 nan nan 3.052105347e+03 nan 0.66 nan 3.884489901e+03 nan nan nan 2.337563312e+03 4.006721678e+03 nan 2.671297804e+03 3.967314910e+03 0.68 nan 3.416168074e+03 nan nan nan 2.055731447e+03 3.529301642e+03 nan 2.341833953e+03 3.496944625e+03 0.70 nan 3.008558321e+03 nan nan nan 1.810968134e+03 3.113416626e+03 nan 2.056171955e+03 3.087103825e+03 0.72 nan 2.652915871e+03 3.875179489e+03 nan nan 1.598063957e+03 2.750263083e+03 nan 1.807928177e+03 2.729080178e+03 0.74 3.890900762e+03 2.341958199e+03 3.443453986e+03 3.891032927e+03 3.891168150e+03 1.412332384e+03 2.432387146e+03 3.576509356e+03 1.591665172e+03 2.415720783e+03 0.76 3.468755044e+03 2.069570852e+03 3.063535878e+03 3.468835216e+03 3.468929540e+03 1.249968543e+03 2.153672611e+03 3.183949074e+03 1.402868587e+03 2.141006914e+03 0.78 3.095741326e+03 1.830545272e+03 2.728366778e+03 3.095804982e+03 3.095872772e+03 1.107714650e+03 1.908969506e+03 2.837469921e+03 1.237820979e+03 1.899628827e+03 0.80 2.765694842e+03 1.620554547e+03 2.432143545e+03 2.765713713e+03 2.765773080e+03 9.827938910e+02 1.693666827e+03 2.531158271e+03 1.093262292e+03 1.687020438e+03 0.82 2.473074842e+03 1.435618648e+03 2.170010580e+03 2.473103105e+03 2.473168316e+03 8.728629918e+02 1.503897310e+03 2.259864772e+03 9.664534561e+02 1.499536582e+03 0.84 2.213117072e+03 1.272622214e+03 1.937702027e+03 2.213255531e+03 2.213338452e+03 7.760125651e+02 1.336421877e+03 2.019246433e+03 8.550442101e+02 1.334055910e+03 0.86 1.982043650e+03 1.128863541e+03 1.731454994e+03 1.982207533e+03 1.982303689e+03 6.905755512e+02 1.188389788e+03 1.805615384e+03 7.570276620e+02 1.187767271e+03 0.88 1.776389184e+03 1.001814523e+03 1.548024939e+03 1.776487218e+03 1.776576125e+03 6.149885942e+02 1.057400473e+03 1.615652143e+03 6.706833074e+02 1.058269424e+03 0.90 1.593047888e+03 8.894111611e+02 1.384899325e+03 1.593109886e+03 1.593191495e+03 5.480807507e+02 9.414350029e+02 1.446517788e+03 5.945519409e+02 9.434373798e+02 0.92 1.429429036e+03 7.899538182e+02 1.239691308e+03 1.429481085e+03 1.429565417e+03 4.888067925e+02 8.386284322e+02 1.295801503e+03 5.273517561e+02 8.415282761e+02 0.94 1.283253734e+03 7.018837965e+02 1.110226439e+03 1.283291734e+03 1.283369359e+03 4.362101323e+02 7.473467554e+02 1.161318256e+03 4.679411864e+02 7.509982788e+02 0.96 1.152529258e+03 6.237636965e+02 9.947024416e+02 1.152549631e+03 1.152592060e+03 3.895023813e+02 6.662251532e+02 1.041198810e+03 4.153988436e+02 6.704921216e+02 0.98 1.035532911e+03 5.543950313e+02 8.914881715e+02 1.035547356e+03 1.035559087e+03 3.479427829e+02 5.940921248e+02 9.338422663e+02 3.689006581e+02 5.988575249e+02 1.00 9.306847740e+02 4.927965169e+02 7.991587947e+02 9.307365226e+02 9.307545759e+02 3.108962247e+02 5.299065233e+02 8.377989463e+02 3.276927515e+02 5.350208071e+02 1.02 8.366982493e+02 4.381062193e+02 7.165699925e+02 8.367776169e+02 8.368091563e+02 2.778747919e+02 4.727511893e+02 7.518430071e+02 2.911370904e+02 4.781187689e+02 1.04 7.524405961e+02 3.894965896e+02 6.426754449e+02 7.524926093e+02 7.525271870e+02 2.484283232e+02 4.218070716e+02 6.748778842e+02 2.586942811e+02 4.274021724e+02 1.06 6.768057157e+02 3.462425097e+02 5.764578439e+02 6.768350347e+02 6.768745687e+02 2.220890219e+02 3.763953567e+02 6.058848916e+02 2.298887084e+02 3.821207467e+02 1.08 6.088658387e+02 3.077365415e+02 5.171130828e+02 6.088933591e+02 6.089365701e+02 1.985438167e+02 3.359090046e+02 5.439793644e+02 2.042966839e+02 3.416735980e+02 1.10 5.478114946e+02 2.734352373e+02 4.639355930e+02 5.478288987e+02 5.478707781e+02 1.775400224e+02 2.997862122e+02 4.883952296e+02 1.815303514e+02 3.055420789e+02 1.12 4.928458925e+02 2.428807151e+02 4.162419230e+02 4.928750609e+02 4.929234529e+02 1.587677164e+02 2.675293975e+02 4.384646859e+02 1.612583294e+02 2.732388984e+02 1.14 4.433499981e+02 2.156904659e+02 3.734163155e+02 4.434099308e+02 4.434667105e+02 1.419583092e+02 2.387147900e+02 3.936400484e+02 1.432084941e+02 2.443377045e+02 1.16 3.988304383e+02 1.914945287e+02 3.349267856e+02 3.989065938e+02 3.989587669e+02 1.268970712e+02 2.129550824e+02 3.534059613e+02 1.271430791e+02 2.184689968e+02 1.18 3.588210520e+02 1.699341836e+02 3.003176944e+02 3.588731899e+02 3.589111433e+02 1.133827063e+02 1.899128917e+02 3.172582003e+02 1.128412986e+02 1.953053733e+02 1.20 3.227938743e+02 1.507140227e+02 2.692304832e+02 3.228237239e+02 3.228547112e+02 1.012531478e+02 1.693067663e+02 2.847456646e+02 1.000987025e+02 1.745461075e+02 1.22 2.903219037e+02 1.335778969e+02 2.413290139e+02 2.903450048e+02 2.903753879e+02 9.037465377e+01 1.508837918e+02 2.555045300e+02 8.872945358e+01 1.559225299e+02 1.24 2.610563837e+02 1.182983349e+02 2.162830228e+02 2.610759870e+02 2.610994262e+02 8.062754280e+01 1.344072615e+02 2.292071113e+02 7.857823046e+01 1.392238377e+02 1.26 2.346845253e+02 1.046686024e+02 1.937699265e+02 2.346936524e+02 2.347040623e+02 7.188070137e+01 1.196614231e+02 2.055409581e+02 6.952178185e+01 1.242668653e+02 1.28 2.109172417e+02 9.250682726e+01 1.735174510e+02 2.109145884e+02 2.109133534e+02 6.401779699e+01 1.064589767e+02 1.842379893e+02 6.145062380e+01 1.108736421e+02 1.30 1.894849181e+02 8.165159620e+01 1.552971549e+02 1.894778639e+02 1.894722942e+02 5.694670732e+01 9.463459099e+01 1.650650444e+02 5.425670069e+01 9.886061047e+01 1.32 1.701350306e+02 7.196809355e+01 1.389086772e+02 1.701336594e+02 1.701329348e+02 5.059330389e+01 8.404682819e+01 1.477986668e+02 4.784064565e+01 8.806868187e+01 1.34 1.526615525e+02 6.333784982e+01 1.241714881e+02 1.526698582e+02 1.526773356e+02 4.489360734e+01 7.456583597e+01 1.322457672e+02 4.211301197e+01 7.836836303e+01 1.36 1.368967915e+02 5.565415092e+01 1.109180774e+02 1.369145301e+02 1.369301344e+02 3.978089270e+01 6.607283335e+01 1.182445924e+02 3.699626751e+01 6.965717308e+01 1.38 1.226920074e+02 4.881113105e+01 9.899507274e+01 1.227141847e+02 1.227336404e+02 3.518758927e+01 5.846245349e+01 1.056516680e+02 3.242909299e+01 6.185248530e+01 1.40 1.098984170e+02 4.271688342e+01 8.826915491e+01 1.099192541e+02 1.099374522e+02 3.106105546e+01 5.164493116e+01 9.432375128e+01 2.835920903e+01 5.486927225e+01 1.42 9.835741885e+01 3.728777421e+01 7.862066927e+01 9.837683307e+01 9.839373069e+01 2.735423048e+01 4.553840251e+01 8.412353048e+01 2.473335123e+01 4.860387448e+01 1.44 8.794546439e+01 3.245269400e+01 6.994213501e+01 8.796372861e+01 8.797959391e+01 2.402493025e+01 4.007098416e+01 7.493529002e+01 2.149949785e+01 4.298173579e+01 1.46 7.855158621e+01 2.814810833e+01 6.213646568e+01 7.856921742e+01 7.858461314e+01 2.103531838e+01 3.517946831e+01 6.666117480e+01 1.861614820e+01 3.793691429e+01 1.48 7.007133952e+01 2.431605158e+01 5.511463411e+01 7.009023795e+01 7.010736435e+01 1.835143801e+01 3.081266213e+01 5.921236643e+01 1.604630400e+01 3.340775135e+01 1.50 6.241815807e+01 2.090649150e+01 4.879967853e+01 6.243965375e+01 6.246001817e+01 1.594279693e+01 2.691296625e+01 5.251148705e+01 1.375693497e+01 2.934279325e+01 1.52 5.551595636e+01 1.787535790e+01 4.312261926e+01 5.554012442e+01 5.556376440e+01 1.378069113e+01 2.342428623e+01 4.648628660e+01 1.172021362e+01 2.569729897e+01 1.54 4.929709882e+01 1.518413291e+01 3.801646681e+01 4.932049075e+01 4.934394742e+01 1.181608806e+01 2.030280647e+01 4.106806180e+01 9.909893856e+00 2.243203258e+01 1.56 4.369810971e+01 1.279811039e+01 3.342308055e+01 4.371683296e+01 4.373615581e+01 1.001622309e+01 1.751196399e+01 3.619775596e+01 8.299030253e+00 1.951041468e+01 1.58 3.865331627e+01 1.068377720e+01 2.928946828e+01 3.866663531e+01 3.868111417e+01 8.369749539e+00 1.501962560e+01 3.181988920e+01 6.864795026e+00 1.689442734e+01 1.60 3.410832620e+01 8.808561163e+00 2.557740447e+01 3.411746629e+01 3.412818653e+01 6.893194302e+00 1.279731476e+01 2.788592763e+01 5.589118312e+00 1.455274122e+01 1.62 3.001508038e+01 7.143797614e+00 2.225841551e+01 3.002287926e+01 3.003237073e+01 5.618539312e+00 1.081806358e+01 2.435225188e+01 4.457489282e+00 1.245783036e+01 1.64 2.633015282e+01 5.668538026e+00 1.928925946e+01 2.633803096e+01 2.634755265e+01 4.510251841e+00 9.054628080e+00 2.117914173e+01 3.456773414e+00 1.058493839e+01 1.66 2.301429660e+01 4.368004417e+00 1.662717490e+01 2.302209251e+01 2.303148356e+01 3.521179760e+00 7.484708067e+00 1.833111553e+01 2.571966318e+00 8.911794437e+00 1.68 2.003203141e+01 3.222099683e+00 1.424201425e+01 2.003961228e+01 2.004873232e+01 2.639607011e+00 6.088515351e+00 1.577507130e+01 1.788981145e+00 7.418684361e+00 1.70 1.735106337e+01 2.213635582e+00 1.210656740e+01 1.735823276e+01 1.736672917e+01 1.854957411e+00 4.848268340e+00 1.347958397e+01 1.097646423e+00 6.092681955e+00 1.72 1.493878279e+01 1.330376840e+00 1.019627356e+01 1.494625121e+01 1.495459372e+01 1.157682120e+00 3.747986405e+00 1.141856890e+01 4.899439525e-01 4.916291806e+00 1.74 1.276365177e+01 5.577118678e-01 8.488961843e+00 1.277345278e+01 1.278344227e+01 5.391585351e-01 2.773305708e+00 9.571428531e+00 -4.233056486e-02 3.870007657e+00 1.76 1.080404234e+01 -1.183007097e-01 6.964617502e+00 1.081788180e+01 1.083116093e+01 -8.400596314e-03 1.911314201e+00 7.922497327e+00 -5.083430003e-01 2.937379970e+00 1.78 9.050472456e+00 -7.072523416e-01 5.605201948e+00 9.067319789e+00 9.083127865e+00 -4.931098353e-01 1.151415867e+00 6.458249093e+00 -9.151271196e-01 2.106168270e+00 1.80 7.492380322e+00 -1.217885314e+00 4.395194373e+00 7.508733749e+00 7.524112457e+00 -9.572036653e-01 4.874739819e-01 5.153568899e+00 -1.263657306e+00 1.367167644e+00 1.82 6.100047194e+00 -1.659393796e+00 3.318289529e+00 6.115113930e+00 6.129438114e+00 -1.439088699e+00 -9.189847271e-02 3.990958263e+00 -1.558288381e+00 7.132366526e-01 1.84 4.855446892e+00 -2.039450602e+00 2.357940471e+00 4.869113916e+00 4.882312121e+00 -1.970112691e+00 -5.985802559e-01 2.956472558e+00 -1.810323210e+00 1.360828654e-01 1.86 3.744364425e+00 -2.364793684e+00 1.501724064e+00 3.756726209e+00 3.768868753e+00 -2.550340415e+00 -1.042873900e+00 2.037503065e+00 -2.029378120e+00 -3.720555865e-01 1.88 2.753921683e+00 -2.641459637e+00 7.429915079e-01 2.765315573e+00 2.776657721e+00 -3.083763707e+00 -1.432895861e+00 1.222649388e+00 -2.220748732e+00 -8.181784703e-01 1.90 1.872452053e+00 -2.874855878e+00 7.759462260e-02 1.883395989e+00 1.894339925e+00 -3.386648503e+00 -1.774473816e+00 5.016041135e-01 -2.385990829e+00 -1.208598461e+00 1.92 1.089386836e+00 -3.069825401e+00 -5.056952707e-01 1.100121412e+00 1.110855989e+00 -3.538162164e+00 -2.069936452e+00 -1.349514831e-01 -2.525662528e+00 -1.549008660e+00 1.94 3.951523667e-01 -3.230704874e+00 -1.018138930e+00 4.056792896e-01 4.162062125e-01 -3.663437939e+00 -2.323607570e+00 -6.953760540e-01 -2.641480361e+00 -1.844543395e+00 1.96 -2.189232027e-01 -3.361376755e+00 -1.466866271e+00 -2.086020869e-01 -1.982809710e-01 -3.765212156e+00 -2.539929099e+00 -1.186488556e+00 -2.732131963e+00 -2.099832969e+00 1.98 -7.606943529e-01 -3.465316060e+00 -1.858319918e+00 -7.505770707e-01 -7.404597884e-01 -3.845961333e+00 -2.722897074e+00 -1.615276486e+00 -2.798642341e+00 -2.319052987e+00 2.00 -1.237274720e+00 -3.545632316e+00 -2.198320822e+00 -1.227359183e+00 -1.217443646e+00 -3.907926246e+00 -2.868881740e+00 -1.988563451e+00 -2.850766282e+00 -2.505968797e+00 2.02 -1.655106439e+00 -3.605107213e+00 -2.492127610e+00 -1.645390454e+00 -1.635674468e+00 -3.953133785e+00 -2.973603930e+00 -2.312507380e+00 -2.896939378e+00 -2.663975543e+00 2.04 -2.020022979e+00 -3.646228379e+00 -2.744490279e+00 -2.010504260e+00 -2.000985540e+00 -3.983416794e+00 -3.047692648e+00 -2.592470012e+00 -2.939042168e+00 -2.796134270e+00 2.06 -2.336650802e+00 -3.671219695e+00 -2.959698757e+00 -2.327283114e+00 -2.317915427e+00 -4.000432091e+00 -3.102655444e+00 -2.832585099e+00 -2.970933125e+00 -2.901787192e+00 2.08 -2.605810177e+00 -3.682068495e+00 -3.141626846e+00 -2.596287919e+00 -2.586765662e+00 -4.005676824e+00 -3.147449489e+00 -3.033822495e+00 -2.984899565e+00 -2.962952809e+00 2.10 -2.833153899e+00 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