# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-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 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 nan nan 0.80 nan nan nan nan nan nan nan nan 5.076242915e+05 nan 0.82 nan nan nan nan nan nan nan nan 3.772848589e+05 nan 0.84 nan nan nan nan nan nan nan nan 2.824055865e+05 nan 0.86 nan nan nan nan nan nan nan nan 2.128166830e+05 nan 0.88 nan nan nan nan nan 1.964879729e+05 nan nan 1.614090905e+05 nan 0.90 nan nan nan nan nan 1.499608943e+05 nan nan 1.231716186e+05 nan 0.92 nan nan nan nan nan 1.151240329e+05 nan nan 9.454361110e+04 nan 0.94 nan nan nan nan nan 8.887641639e+04 nan nan 7.297575137e+04 nan 0.96 nan nan nan nan nan 6.898157155e+04 nan nan 5.662947542e+04 nan 0.98 nan nan nan nan nan 5.381524406e+04 nan nan 4.416955112e+04 nan 1.00 nan 3.758967825e+04 nan 1.267922128e+05 1.267943577e+05 4.218990934e+04 nan nan 3.461979276e+04 6.474965402e+04 1.02 nan 2.958903375e+04 nan 9.987672477e+04 9.987841231e+04 3.323177223e+04 4.402618242e+04 nan 2.726193387e+04 5.099769085e+04 1.04 nan 2.339483536e+04 nan 7.903068622e+04 7.903202005e+04 2.629392341e+04 3.482640828e+04 nan 2.156423011e+04 4.034754976e+04 1.06 nan 1.857604950e+04 nan 6.280683865e+04 6.280789760e+04 2.089459707e+04 2.766764644e+04 nan 1.713069796e+04 3.205950956e+04 1.08 nan 1.480988938e+04 nan 5.012124489e+04 5.012208921e+04 1.667297363e+04 2.207112456e+04 nan 1.366477882e+04 2.557956109e+04 1.10 nan 1.185331415e+04 nan 4.015764458e+04 4.015832050e+04 1.335734070e+04 1.767632185e+04 nan 1.094316270e+04 2.049051825e+04 1.12 3.229757435e+04 9.522366322e+03 2.421571921e+04 3.229811819e+04 3.229866114e+04 1.074201278e+04 1.421033561e+04 2.569404578e+04 8.796813186e+03 1.647657469e+04 1.14 2.607208545e+04 7.677105459e+03 1.954362517e+04 2.607252405e+04 2.607296132e+04 8.670498200e+03 1.146554228e+04 2.073716221e+04 7.097129720e+03 1.329745860e+04 1.16 2.112105889e+04 6.210558867e+03 1.582842097e+04 2.112141251e+04 2.112176545e+04 7.023150835e+03 9.283212543e+03 1.679545237e+04 5.745798290e+03 1.076947447e+04 1.18 1.716838562e+04 5.040571193e+03 1.286274926e+04 1.716867053e+04 1.716895602e+04 5.708065097e+03 7.541427640e+03 1.364893397e+04 4.667305103e+03 8.751520005e+03 1.20 1.400100801e+04 4.103762023e+03 1.048661013e+04 1.400123807e+04 1.400146991e+04 4.654324024e+03 6.146117790e+03 1.112786542e+04 3.803385885e+03 7.134719051e+03 1.22 1.145380107e+04 3.351021009e+03 8.576006046e+03 1.145398816e+04 1.145417748e+04 3.806966970e+03 5.024382637e+03 9.100698488e+03 3.108889124e+03 5.834695056e+03 1.24 9.398247530e+03 2.744135496e+03 7.034434146e+03 9.398401545e+03 9.398556990e+03 3.123219124e+03 4.119489230e+03 7.465053519e+03 2.548677220e+03 4.785781322e+03 1.26 7.733914090e+03 2.253250712e+03 5.786483403e+03 7.734042512e+03 7.734170780e+03 2.569653297e+03 3.387106632e+03 6.140926355e+03 2.095293873e+03 3.936662328e+03 1.28 6.382004132e+03 1.854950899e+03 4.772991799e+03 6.382111986e+03 6.382218296e+03 2.120044331e+03 2.792458033e+03 5.065550882e+03 1.727200276e+03 3.247079788e+03 1.30 5.280459004e+03 1.530799959e+03 3.947366402e+03 5.280549615e+03 5.280637847e+03 1.753738221e+03 2.308157837e+03 4.189496384e+03 1.427435511e+03 2.685330025e+03 1.32 4.380221220e+03 1.266229737e+03 3.272778391e+03 4.380296730e+03 4.380369767e+03 1.454408471e+03 1.912561284e+03 3.473690117e+03 1.182594380e+03 2.226353059e+03 1.34 3.642372411e+03 1.049687749e+03 2.720012945e+03 3.642433939e+03 3.642494066e+03 1.209103515e+03 1.588500410e+03 2.887136224e+03 9.820442602e+02 1.850268715e+03 1.36 3.035929732e+03 8.719809496e+02 2.265813821e+03 3.035978600e+03 3.036027754e+03 1.007513082e+03 1.322310462e+03 2.405160880e+03 8.173223367e+02 1.541251578e+03 1.38 2.536145609e+03 7.257696245e+02 1.891606379e+03 2.536183786e+03 2.536223735e+03 8.414016660e+02 1.103078175e+03 2.008057427e+03 6.816703589e+02 1.286661758e+03 1.40 2.123188532e+03 6.051743921e+02 1.582507295e+03 2.123218226e+03 2.123250536e+03 7.041697031e+02 9.220592510e+02 1.680035268e+03 5.696737503e+02 1.076371184e+03 1.42 1.781115860e+03 5.054714004e+02 1.326552794e+03 1.781139437e+03 1.781165635e+03 5.905121526e+02 7.722253055e+02 1.408401738e+03 4.769808529e+02 9.022394513e+02 1.44 1.497072317e+03 4.228543074e+02 1.114096314e+03 1.497092011e+03 1.497113612e+03 4.961515439e+02 6.479103317e+02 1.182922856e+03 4.000836773e+02 7.577034428e+02 1.46 1.260661755e+03 3.542466308e+02 9.373372495e+02 1.260679260e+03 1.260697536e+03 4.176288607e+02 5.445330377e+02 9.953230262e+02 3.361459908e+02 6.374560953e+02 1.48 1.063452090e+03 2.971545527e+02 7.899497781e+02 1.063468501e+03 1.063484395e+03 3.521389557e+02 4.583786948e+02 8.388909507e+02 2.828681754e+02 5.371932262e+02 1.50 8.985852338e+02 2.495512848e+02 6.667900597e+02 8.986010475e+02 8.986151811e+02 2.974008090e+02 3.864267868e+02 7.081687098e+02 2.383803855e+02 4.534144524e+02 1.52 7.604683163e+02 2.097850117e+02 5.636635822e+02 7.604834126e+02 7.604961388e+02 2.515543142e+02 3.262146997e+02 5.987057659e+02 2.011581680e+02 3.832653963e+02 1.54 6.445280593e+02 1.765057992e+02 4.771409890e+02 6.445419144e+02 6.445534143e+02 2.130786766e+02 2.757292627e+02 5.068631573e+02 1.699551830e+02 3.244124760e+02 1.56 5.470147126e+02 1.486078760e+02 4.044112407e+02 5.470269673e+02 5.470373454e+02 1.807270513e+02 2.333206231e+02 4.296578589e+02 1.437499678e+02 2.749429372e+02 1.58 4.648466011e+02 1.251835486e+02 3.431642987e+02 4.648570357e+02 4.648662873e+02 1.534745082e+02 1.976334770e+02 3.646386496e+02 1.217033336e+02 2.332852312e+02 1.60 3.954848696e+02 1.054859702e+02 2.914976548e+02 3.954933136e+02 3.955013249e+02 1.304768263e+02 1.675517874e+02 3.097863394e+02 1.031242850e+02 1.981448248e+02 1.62 3.368330544e+02 8.889890108e+01 2.478405234e+02 3.368392446e+02 3.368458251e+02 1.110370266e+02 1.421543779e+02 2.634336329e+02 8.744247255e+01 1.684529946e+02 1.64 2.871555821e+02 7.491263247e+01 2.108924995e+02 2.871594579e+02 2.871644498e+02 9.457808539e+01 1.206792990e+02 2.242007091e+02 7.418611906e+01 1.433249494e+02 1.66 2.450127684e+02 6.310492330e+01 1.795749443e+02 2.450144908e+02 2.450178397e+02 8.062133020e+01 1.024947578e+02 1.909431413e+02 6.296422415e+01 1.220268321e+02 1.68 2.092078760e+02 5.312533309e+01 1.529913419e+02 2.092077753e+02 2.092095936e+02 6.876883052e+01 8.707564567e+01 1.627098046e+02 5.345191900e+01 1.039487515e+02 1.70 1.787440140e+02 4.468241572e+01 1.303950202e+02 1.787425743e+02 1.787431001e+02 5.868907091e+01 7.398464722e+01 1.387086750e+02 4.537859419e+01 8.858274545e+01 1.72 1.527891664e+02 3.753306126e+01 1.111629625e+02 1.527868428e+02 1.527863574e+02 5.010536957e+01 6.285684530e+01 1.182788154e+02 3.851846021e+01 7.550496607e+01 1.74 1.306471978e+02 3.147415266e+01 9.477440978e+01 1.306445788e+02 1.306434340e+02 4.278640933e+01 5.338721161e+01 1.008674748e+02 3.268281662e+01 6.436116028e+01 1.76 1.117347039e+02 2.633582222e+01 8.079312179e+01 1.117324272e+02 1.117309858e+02 3.653848030e+01 4.532034918e+01 8.601165074e+01 2.771368781e+01 5.485480881e+01 1.78 9.556195233e+01 2.197579198e+01 6.885277168e+01 9.556056205e+01 9.555915513e+01 3.119894623e+01 3.844207008e+01 7.332281459e+01 2.347856706e+01 4.673720659e+01 1.80 8.171714907e+01 1.827474634e+01 5.864532496e+01 8.171704247e+01 8.171595064e+01 2.663105715e+01 3.257236624e+01 6.247430650e+01 1.986606231e+01 3.979898829e+01 1.82 6.985350804e+01 1.513243326e+01 4.991141818e+01 6.985481840e+01 6.985425141e+01 2.271968224e+01 2.755964215e+01 5.319100357e+01 1.678237432e+01 3.386368081e+01 1.84 5.967857517e+01 1.246427214e+01 4.243218956e+01 5.968104840e+01 5.968112221e+01 1.936759130e+01 2.327612778e+01 4.524081340e+01 1.414845418e+01 2.878244752e+01 1.86 5.094495961e+01 1.019881536e+01 3.602271782e+01 5.094812347e+01 5.094886888e+01 1.649257040e+01 1.961391695e+01 3.842747182e+01 1.189759952e+01 2.442946204e+01 1.88 4.344283408e+01 8.275694921e+00 3.052660009e+01 4.344627964e+01 4.344767338e+01 1.402504277e+01 1.648169984e+01 3.258471833e+01 9.973359157e+00 2.069809304e+01 1.90 3.699425720e+01 6.643886602e+00 2.581139673e+01 3.699766808e+01 3.699963359e+01 1.190603660e+01 1.380211240e+01 2.757167099e+01 8.327888100e+00 1.749793582e+01 1.92 3.144813134e+01 5.260253547e+00 2.176483980e+01 3.145122896e+01 3.145364020e+01 1.008551329e+01 1.150955214e+01 2.326870897e+01 6.920616560e+00 1.475224668e+01 1.94 2.667582671e+01 4.088259633e+00 1.829147478e+01 2.667847359e+01 2.668120204e+01 8.520974046e+00 9.548217177e+00 1.957413958e+01 5.717131104e+00 1.239574876e+01 1.96 2.256772216e+01 3.096949202e+00 1.530985946e+01 2.256992543e+01 2.257284791e+01 7.176183960e+00 7.870456195e+00 1.640145839e+01 4.688178667e+00 1.037286389e+01 1.98 1.903044029e+01 2.259997000e+00 1.275031945e+01 1.903221059e+01 1.903516722e+01 6.020124335e+00 6.435620789e+00 1.367689216e+01 3.808793944e+00 8.636252316e+00 2.00 1.598432521e+01 1.554897000e+00 1.055334942e+01 1.598561156e+01 1.598840227e+01 5.026298882e+00 5.209026330e+00 1.133742242e+01 3.057674584e+00 7.145563672e+00 2.02 1.336118955e+01 9.623771049e-01 8.668115635e+00 1.336192496e+01 1.336433948e+01 4.172061462e+00 4.161054999e+00 9.329134758e+00 2.416665572e+00 5.866269978e+00 2.04 1.110255015e+01 4.659594065e-01 7.051154959e+00 1.110272146e+01 1.110457723e+01 3.438025368e+00 3.266408259e+00 7.605866412e+00 1.870287268e+00 4.768754464e+00 2.06 9.158274489e+00 5.156709738e-02 5.665164201e+00 9.157929611e+00 9.159084626e+00 2.807510556e+00 2.503473432e+00 6.128087542e+00 1.405290649e+00 3.827675106e+00 2.08 7.485360352e+00 -2.928269678e-01 4.478156460e+00 7.484583944e+00 7.484948330e+00 2.266198672e+00 1.853760982e+00 4.861926174e+00 1.010292833e+00 3.021348766e+00 2.10 6.046892947e+00 -5.774964615e-01 3.462680772e+00 6.045745983e+00 6.045294321e+00 1.801797457e+00 1.301400489e+00 3.778307662e+00 6.754983331e-01 2.331218464e+00 2.12 4.811050952e+00 -8.112104899e-01 2.595139049e+00 4.809614247e+00 4.808398691e+00 1.403736612e+00 8.327736866e-01 2.852190640e+00 3.924808690e-01 1.741295875e+00 2.14 3.750387584e+00 -1.001442860e+00 1.855234434e+00 3.748791186e+00 3.746944007e+00 1.062923681e+00 4.362224368e-01 2.061997600e+00 1.539802526e-01 1.237829766e+00 2.16 2.841264678e+00 -1.154569322e+00 1.225505174e+00 2.839619368e+00 2.837291878e+00 7.715379159e-01 1.017253593e-01 1.389144451e+00 -4.624415119e-02 8.090239378e-01 2.18 2.063316685e+00 -1.276109629e+00 6.909301252e-01 2.061675750e+00 2.059007185e+00 5.228559498e-01 -1.793873916e-01 8.175952523e-01 -2.135535671e-01 4.447519777e-01 2.20 1.398999847e+00 -1.370825867e+00 2.385946269e-01 1.397350409e+00 1.394466793e+00 3.111042631e-01 -4.145691747e-01 3.335371753e-01 -3.525611697e-01 1.363298203e-01 2.22 8.331612244e-01 -1.442814383e+00 -1.426355412e-01 8.314300663e-01 8.284419422e-01 1.313128495e-01 -6.102099527e-01 -7.496871253e-02 -4.672362520e-01 -1.237171915e-01 2.24 3.525477851e-01 -1.495608098e+00 -4.625012500e-01 3.506839396e-01 3.477060228e-01 -2.086390211e-02 -7.718173442e-01 -4.183178605e-01 -5.610072955e-01 -3.419558533e-01 2.26 -5.436432934e-02 -1.532239410e+00 -7.294532371e-01 -5.636124065e-02 -5.920898352e-02 -1.491833554e-01 -9.041417620e-01 -7.055153979e-01 -6.368458507e-01 -5.240956446e-01 2.28 -3.975665973e-01 -1.555284892e+00 -9.507925006e-01 -3.996385457e-01 -4.022371565e-01 -2.568751864e-01 -1.011255197e+00 -9.443528058e-01 -6.973157649e-01 -6.750744006e-01 2.30 -6.857230289e-01 -1.566928889e+00 -1.132828606e+00 -6.877491806e-01 -6.899870958e-01 -3.467152359e-01 -1.096683603e+00 -1.141568106e+00 -7.446347833e-01 -7.991621429e-01 2.32 -9.263398793e-01 -1.569021764e+00 -1.281008313e+00 -9.281806674e-01 -9.299615636e-01 -4.210820860e-01 -1.163472526e+00 -1.302972730e+00 -7.807411228e-01 -9.000443812e-01 2.34 -1.125889096e+00 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