# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ko-W-S-Kim-N-J-Lee-B-J--P # implementation = 2012--Ko-W-S--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 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 1.720698722e+02 nan nan nan nan 0.74 nan nan nan nan nan 1.624266612e+02 nan nan nan nan 0.76 nan nan nan nan nan 1.532748700e+02 nan nan 1.902749929e+02 nan 0.78 nan nan nan nan nan 1.445907264e+02 nan nan 1.786167902e+02 nan 0.80 nan nan nan nan nan 1.363515700e+02 nan nan 1.676209432e+02 nan 0.82 nan nan nan nan nan 1.285358007e+02 nan nan 1.572509689e+02 nan 0.84 nan 3.136533490e+02 nan nan nan 1.211228313e+02 1.878605219e+02 nan 1.474723829e+02 1.889603797e+02 0.86 nan 2.940165149e+02 nan nan nan 1.140930403e+02 1.769367273e+02 nan 1.382525883e+02 1.782858556e+02 0.88 nan 2.755304792e+02 nan nan nan 1.074277285e+02 1.665926423e+02 nan 1.295607703e+02 1.681603708e+02 0.90 nan 2.581306664e+02 nan nan nan 1.011090760e+02 1.567990192e+02 nan 1.213677979e+02 1.585571521e+02 0.92 nan 2.417560159e+02 2.421403936e+02 nan nan 9.512010286e+01 1.475280394e+02 3.039716458e+02 1.136461308e+02 1.494506859e+02 0.94 3.027955764e+02 2.263487949e+02 2.282687066e+02 3.027876714e+02 3.027797664e+02 8.944462968e+01 1.387532443e+02 2.868214719e+02 1.063697312e+02 1.408166612e+02 0.96 2.860325868e+02 2.118544211e+02 2.151306086e+02 2.860247080e+02 2.860168291e+02 8.406724144e+01 1.304494710e+02 2.705701818e+02 9.951398163e+01 1.326319138e+02 0.98 2.701313292e+02 1.982212948e+02 2.026891328e+02 2.701234767e+02 2.701156242e+02 7.897325214e+01 1.225927898e+02 2.551728944e+02 9.305560635e+01 1.248743741e+02 1.00 2.550496160e+02 1.854006395e+02 1.909091157e+02 2.550417901e+02 2.550339643e+02 7.414867131e+01 1.151604454e+02 2.405868932e+02 8.697259805e+01 1.175230162e+02 1.02 2.407472543e+02 1.733463513e+02 1.797571115e+02 2.407394554e+02 2.407316565e+02 6.958017198e+01 1.081308008e+02 2.267715245e+02 8.124414819e+01 1.105578106e+02 1.04 2.271859540e+02 1.620148558e+02 1.692013100e+02 2.271781822e+02 2.271704105e+02 6.525506012e+01 1.014832831e+02 2.136881006e+02 7.585058149e+01 1.039596775e+02 1.06 2.143292397e+02 1.513649728e+02 1.592114586e+02 2.143214955e+02 2.143137512e+02 6.116124539e+01 9.519833309e+01 2.012998073e+02 7.077329395e+01 9.771044375e+01 1.08 2.021423676e+02 1.413577881e+02 1.497587878e+02 2.021346511e+02 2.021269346e+02 5.728721329e+01 8.925735610e+01 1.895716152e+02 6.599469448e+01 9.179280041e+01 1.10 1.905922451e+02 1.319565315e+02 1.408159402e+02 1.905845566e+02 1.905768681e+02 5.362199854e+01 8.364267578e+01 1.784701961e+02 6.149814966e+01 8.619026312e+01 1.12 1.796473544e+02 1.231264621e+02 1.323569028e+02 1.796396943e+02 1.796320341e+02 5.015515962e+01 7.833748988e+01 1.679638422e+02 5.726793162e+01 8.088713384e+01 1.14 1.692776802e+02 1.148347589e+02 1.243569431e+02 1.692700486e+02 1.692624170e+02 4.687675453e+01 7.332582813e+01 1.580223897e+02 5.328916882e+01 7.586846446e+01 1.16 1.594546393e+02 1.070504177e+02 1.167925467e+02 1.594470366e+02 1.594394339e+02 4.377731760e+01 6.859251212e+01 1.486171458e+02 4.954779956e+01 7.112002202e+01 1.18 1.501510149e+02 9.974415299e+01 1.096413600e+02 1.501434413e+02 1.501358678e+02 4.084783738e+01 6.412311709e+01 1.397208188e+02 4.603052803e+01 6.662825551e+01 1.20 1.413408927e+02 9.288830526e+01 1.028821332e+02 1.413333486e+02 1.413258044e+02 3.807973550e+01 5.990393549e+01 1.313074517e+02 4.272478275e+01 6.238026418e+01 1.22 1.329996005e+02 8.645675328e+01 9.649466823e+01 1.329920861e+02 1.329845717e+02 3.546484653e+01 5.592194234e+01 1.233523589e+02 3.961867742e+01 5.836376728e+01 1.24 1.251036506e+02 8.042483085e+01 9.045976742e+01 1.250961662e+02 1.250886817e+02 3.299539872e+01 5.216476214e+01 1.158320658e+02 3.670097377e+01 5.456707520e+01 1.26 1.176306841e+02 7.476924800e+01 8.475918558e+01 1.176232300e+02 1.176157759e+02 3.066399565e+01 4.862063743e+01 1.087242510e+02 3.396104652e+01 5.097906190e+01 1.28 1.105594190e+02 6.946801646e+01 7.937558396e+01 1.105519955e+02 1.105445720e+02 2.846359868e+01 4.527839877e+01 1.020076914e+02 3.138885028e+01 4.758913859e+01 1.30 1.038695993e+02 6.450037897e+01 7.429248649e+01 1.038622066e+02 1.038548140e+02 2.638751020e+01 4.212743623e+01 9.566221007e+01 2.897488817e+01 4.438722862e+01 1.32 9.754194719e+01 5.984674237e+01 6.949423806e+01 9.753458573e+01 9.752722427e+01 2.442935772e+01 3.915767217e+01 8.966862579e+01 2.671018224e+01 4.136374352e+01 1.34 9.155811759e+01 5.548861433e+01 6.496596476e+01 9.155078760e+01 9.154345761e+01 2.258307857e+01 3.635953533e+01 8.400870585e+01 2.458624544e+01 3.850956013e+01 1.36 8.590065403e+01 5.140854333e+01 6.069353605e+01 8.589335582e+01 8.588605761e+01 2.084290537e+01 3.372393617e+01 7.866512048e+01 2.259505516e+01 3.581599876e+01 1.38 8.055294722e+01 4.759006188e+01 5.666352871e+01 8.054568109e+01 8.053841495e+01 1.920335216e+01 3.124224338e+01 7.362139957e+01 2.072902814e+01 3.327480238e+01 1.40 7.549919516e+01 4.401763283e+01 5.286319246e+01 7.549196140e+01 7.548472764e+01 1.765920116e+01 2.890626151e+01 6.886189142e+01 1.898099679e+01 3.087811672e+01 1.42 7.072436521e+01 4.067659843e+01 4.928041729e+01 7.071716413e+01 7.070996305e+01 1.620549012e+01 2.670820963e+01 6.437172342e+01 1.734418680e+01 2.861847134e+01 1.44 6.621415787e+01 3.755313219e+01 4.590370225e+01 6.620698978e+01 6.619982168e+01 1.483750026e+01 2.464070109e+01 6.013676455e+01 1.581219591e+01 2.648876149e+01 1.46 6.195497221e+01 3.463419332e+01 4.272212581e+01 6.194783740e+01 6.194070260e+01 1.355074479e+01 2.269672418e+01 5.614358965e+01 1.437897386e+01 2.448223088e+01 1.48 5.793387289e+01 3.190748351e+01 3.972531758e+01 5.792677169e+01 5.791967048e+01 1.234095792e+01 2.086962375e+01 5.237944539e+01 1.303880342e+01 2.259245520e+01 1.50 5.413855874e+01 2.936140619e+01 3.690343140e+01 5.413149144e+01 5.412442415e+01 1.120408437e+01 1.915308367e+01 4.883221778e+01 1.178628245e+01 2.081332641e+01 1.52 5.055733269e+01 2.698502781e+01 3.424711971e+01 5.055029962e+01 5.054326654e+01 1.013626943e+01 1.754111020e+01 4.549040129e+01 1.061630688e+01 1.913903774e+01 1.54 4.717907321e+01 2.476804130e+01 3.174750913e+01 4.717207467e+01 4.716507613e+01 9.133849402e+00 1.602801609e+01 4.234306933e+01 9.524054637e+00 1.756406940e+01 1.56 4.399320696e+01 2.270073146e+01 2.939617723e+01 4.398624327e+01 4.397927958e+01 8.193342504e+00 1.460840546e+01 3.937984621e+01 8.504970475e+00 1.608317492e+01 1.58 4.098968275e+01 2.077394221e+01 2.718513038e+01 4.098275422e+01 4.097582570e+01 7.311440233e+00 1.327715946e+01 3.659088036e+01 7.554751536e+00 1.469136821e+01 1.60 3.815894671e+01 1.897904562e+01 2.510678271e+01 3.815205367e+01 3.814516063e+01 6.484999078e+00 1.202942254e+01 3.396681884e+01 6.669333749e+00 1.338391104e+01 1.62 3.549191859e+01 1.730791262e+01 2.315393604e+01 3.548506136e+01 3.547820413e+01 5.711032645e+00 1.086058944e+01 3.149878308e+01 5.844878930e+00 1.215630133e+01 1.64 3.297996917e+01 1.575288523e+01 2.131976074e+01 3.297314807e+01 3.296632697e+01 4.986704136e+00 9.766292769e+00 2.917834568e+01 5.077762583e+00 1.100426175e+01 1.66 3.061489871e+01 1.430675035e+01 1.959777761e+01 3.060811406e+01 3.060132941e+01 4.309319181e+00 8.742391217e+00 2.699750846e+01 4.364562348e+00 9.923729075e+00 1.68 2.838891640e+01 1.296271499e+01 1.798184054e+01 2.838216853e+01 2.837542066e+01 3.676319006e+00 7.784958310e+00 2.494868138e+01 3.702047075e+00 8.910843814e+00 1.70 2.629462077e+01 1.171438274e+01 1.646612003e+01 2.628791000e+01 2.628119924e+01 3.085273911e+00 6.890271724e+00 2.302466258e+01 3.087166475e+00 7.961940503e+00 1.72 2.432498099e+01 1.055573163e+01 1.504508752e+01 2.431830766e+01 2.431163433e+01 2.533877054e+00 6.054803106e+00 2.121861934e+01 2.517041325e+00 7.073538343e+00 1.74 2.247331909e+01 9.481093130e+00 1.371350045e+01 2.246668353e+01 2.246004797e+01 2.019938536e+00 5.275208397e+00 1.952406993e+01 1.988954205e+00 6.242332315e+00 1.76 2.073329297e+01 8.485132294e+00 1.246638809e+01 2.072669551e+01 2.072009805e+01 1.541379743e+00 4.548318616e+00 1.793486631e+01 1.500340720e+00 5.465184701e+00 1.78 1.909888018e+01 7.562829013e+00 1.129903797e+01 1.909232116e+01 1.908576213e+01 1.096227967e+00 3.871131099e+00 1.644517772e+01 1.048781194e+00 4.739116998e+00 1.80 1.756436253e+01 6.709460262e+00 1.020698303e+01 1.755784228e+01 1.755132203e+01 6.826112745e-01 3.240801159e+00 1.504947499e+01 6.319928133e-01 4.061302216e+00 1.82 1.612431137e+01 5.920583336e+00 9.185989401e+00 1.611783023e+01 1.611134909e+01 2.987536135e-01 2.654634152e+00 1.374251564e+01 2.478221807e-01 3.429057535e+00 1.84 1.477357353e+01 5.192019988e+00 8.232044725e+00 1.476713184e+01 1.476069016e+01 -5.702984839e-02 2.110077930e+00 1.251932963e+01 -1.057617247e-01 2.839837303e+00 1.86 1.350725801e+01 4.519841450e+00 7.341347082e+00 1.350085612e+01 1.349445423e+01 -3.863371664e-01 1.604715665e+00 1.137520592e+01 -4.306742164e-01 2.291226367e+00 1.88 1.232072322e+01 3.900354256e+00 6.510294441e+00 1.231436146e+01 1.230799971e+01 -6.906838535e-01 1.136259017e+00 1.030567952e+01 -7.287212112e-01 1.780933712e+00 1.90 1.120956482e+01 3.330086864e+00 5.735474625e+00 1.120324355e+01 1.119692228e+01 -9.715069145e-01 7.025416413e-01 9.306519288e+00 -1.001605203e+00 1.306786407e+00 1.92 1.016960420e+01 2.805776997e+00 5.013655762e+00 1.016332376e+01 1.015704332e+01 -1.230168691e+00 3.015130103e-01 8.373716233e+00 -1.250930915e+00 8.667238309e-01 1.94 9.196877409e+00 2.324359690e+00 4.341777207e+00 9.190638153e+00 9.184398897e+00 -1.467960526e+00 -6.876745963e-02 7.503472437e+00 -1.478210658e+00 4.587921684e-01 1.96 8.287624707e+00 1.882955991e+00 3.716940903e+00 8.281426985e+00 8.275229264e+00 -1.686106251e+00 -4.101359964e-01 6.692190475e+00 -1.684869387e+00 8.113917323e-02 1.98 7.438280509e+00 1.478862293e+00 3.136403162e+00 7.432124676e+00 7.425968842e+00 -1.885765511e+00 -7.243297840e-01 5.936463368e+00 -1.872249505e+00 -2.679908265e-01 2.00 6.645463882e+00 1.109540242e+00 2.597566852e+00 6.639350293e+00 6.633236703e+00 -2.068036937e+00 -1.012992012e+00 5.233065008e+00 -2.041615395e+00 -5.902616845e-01 2.02 5.905969456e+00 7.726072211e-01 2.097973964e+00 5.899898469e+00 5.893827481e+00 -2.233961155e+00 -1.277676681e+00 4.578941057e+00 -2.194157716e+00 -8.872499676e-01 2.04 5.216758776e+00 4.658273483e-01 1.635298545e+00 5.210730750e+00 5.204702724e+00 -2.384523666e+00 -1.519853166e+00 3.971200281e+00 -2.330997473e+00 -1.160449271e+00 2.06 4.574952062e+00 1.871029820e-01 1.207339973e+00 4.568967358e+00 4.562982655e+00 -2.520657580e+00 -1.740910558e+00 3.407106306e+00 -2.453189858e+00 -1.411274329e+00 2.08 3.977820360e+00 -6.553330321e-02 8.120165702e-01 3.971879343e+00 3.965938326e+00 -2.643246222e+00 -1.942161790e+00 2.884069780e+00 -2.561727893e+00 -1.641064929e+00 2.10 3.422778073e+00 -2.939262942e-01 4.473595217e-01 3.416881108e+00 3.410984144e+00 -2.753125614e+00 -2.124847561e+00 2.399640912e+00 -2.657545875e+00 -1.851089641e+00 2.12 2.907375840e+00 -4.998052922e-01 1.115071017e-01 2.901523295e+00 2.895670750e+00 -2.851086841e+00 -2.290140059e+00 1.951502374e+00 -2.741522639e+00 -2.042549368e+00 2.14 2.429293760e+00 -6.847908679e-01 -1.973008206e-01 2.423486004e+00 2.417678249e+00 -2.937878299e+00 -2.439146509e+00 1.537462555e+00 -2.814484640e+00 -2.216580723e+00 2.16 1.986334939e+00 -8.504012359e-01 -4.807280030e-01 1.980572344e+00 1.974809749e+00 -3.014207837e+00 -2.572912538e+00 1.155449142e+00 -2.877208873e+00 -2.374259250e+00 2.18 1.576419345e+00 -9.980582742e-01 -7.403467924e-01 1.570702284e+00 1.564985224e+00 -3.080744796e+00 -2.692425372e+00 8.035030134e-01 -2.930425634e+00 -2.516602490e+00 2.20 1.197577960e+00 -1.129093202e+00 -9.776428424e-01 1.191906810e+00 1.186235659e+00 -3.138121955e+00 -2.798616881e+00 4.797724363e-01 -2.974821135e+00 -2.644572891e+00 2.22 8.479472117e-01 -1.244751941e+00 -1.194019597e+00 8.423223488e-01 8.366974859e-01 -3.186937372e+00 -2.892366462e+00 1.825075478e-01 -3.011039976e+00 -2.759080593e+00 2.24 5.257636702e-01 -1.346200172e+00 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