# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--V # implementation = 1987--Ackland-G-J--V--LAMMPS--ipr1 # composition = V # 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 2025-12-17 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 1.586156983e+03 nan 0.62 nan nan nan nan nan nan nan nan 1.423751751e+03 nan 0.64 nan nan nan nan nan nan nan nan 1.281274369e+03 nan 0.66 nan nan nan nan nan 9.896313265e+02 nan nan 1.155711274e+03 nan 0.68 nan nan nan nan nan 8.934049829e+02 nan nan 1.044644346e+03 nan 0.70 nan nan nan nan nan 8.082471764e+02 nan nan 9.462169018e+02 nan 0.72 nan nan nan nan nan 7.325885809e+02 nan nan 8.586872055e+02 nan 0.74 nan nan nan 1.596281048e+03 1.596195866e+03 6.651532461e+02 nan nan 7.806045058e+02 nan 0.76 nan 9.911912948e+02 nan 1.461966983e+03 1.461950506e+03 6.049714357e+02 1.008184073e+03 nan 7.106719605e+02 9.927959365e+02 0.78 nan 9.063037529e+02 nan 1.341199588e+03 1.341249905e+03 5.510648594e+02 9.219815002e+02 nan 6.478710576e+02 9.080260892e+02 0.80 nan 8.298595436e+02 nan 1.232215506e+03 1.232292236e+03 5.027750677e+02 8.443621145e+02 nan 5.913274622e+02 8.318838204e+02 0.82 nan 7.608919320e+02 nan 1.133744815e+03 1.133801669e+03 4.594140158e+02 7.744806633e+02 nan 5.403213073e+02 7.631338061e+02 0.84 1.044696968e+03 6.984762115e+02 9.479024068e+02 1.044600364e+03 1.044621539e+03 4.203228082e+02 7.113449924e+02 9.768100489e+02 4.941971702e+02 7.008097631e+02 0.86 9.638500032e+02 6.419223044e+02 8.738163293e+02 9.637274552e+02 9.637272997e+02 3.848552917e+02 6.541270625e+02 9.006397306e+02 4.524437469e+02 6.442594059e+02 0.88 8.901796986e+02 5.905729644e+02 8.063579251e+02 8.901429954e+02 8.901284981e+02 3.525431453e+02 6.021287644e+02 8.312786278e+02 4.146489133e+02 5.928148115e+02 0.90 8.230100304e+02 5.439282811e+02 7.448682123e+02 8.230459583e+02 8.230214487e+02 3.231124348e+02 5.547639553e+02 7.680911636e+02 3.804641167e+02 5.458754704e+02 0.92 7.617145239e+02 5.013895126e+02 6.887314024e+02 7.617808320e+02 7.617647245e+02 2.963278667e+02 5.114491527e+02 7.104680306e+02 3.494690263e+02 5.030272227e+02 0.94 7.057203011e+02 4.625526002e+02 6.374612329e+02 7.057947823e+02 7.057915968e+02 2.718931221e+02 4.717554010e+02 6.578962630e+02 3.213000522e+02 4.639421909e+02 0.96 6.545597908e+02 4.270140456e+02 5.906603618e+02 6.545812993e+02 6.545646700e+02 2.496184321e+02 4.353966619e+02 6.098448325e+02 2.956096998e+02 4.283655332e+02 0.98 6.076624137e+02 3.943909474e+02 5.478314583e+02 6.076110586e+02 6.075725798e+02 2.293119418e+02 4.021642858e+02 5.657507830e+02 2.721534581e+02 3.959352070e+02 1.00 5.645488536e+02 3.644828440e+02 5.084815767e+02 5.644421758e+02 5.643968569e+02 2.107656900e+02 3.717920022e+02 5.251894474e+02 2.506805929e+02 3.662775998e+02 1.02 5.248684297e+02 3.370192332e+02 4.722565553e+02 5.247293739e+02 5.246932804e+02 1.937859257e+02 3.439756303e+02 4.878124372e+02 2.309639689e+02 3.390365319e+02 1.04 4.882279666e+02 3.117275336e+02 4.388449618e+02 4.881200904e+02 4.881086171e+02 1.782235244e+02 3.184526491e+02 4.533082359e+02 2.128343506e+02 3.140320736e+02 1.06 4.542685113e+02 2.884485105e+02 4.079418824e+02 4.542981157e+02 4.543282630e+02 1.639471708e+02 2.950038969e+02 4.214194153e+02 1.961356329e+02 2.910577407e+02 1.08 4.228852667e+02 2.670600872e+02 3.793182573e+02 4.230348006e+02 4.231061513e+02 1.508734063e+02 2.734274082e+02 3.919890741e+02 1.807112811e+02 2.699243862e+02 1.10 3.938885362e+02 2.473580581e+02 3.527237304e+02 3.940931629e+02 3.941958042e+02 1.388782306e+02 2.535492596e+02 3.648054795e+02 1.664536976e+02 2.504342820e+02 1.12 3.670879136e+02 2.291627398e+02 3.280077546e+02 3.672756805e+02 3.673828257e+02 1.278466696e+02 2.352272817e+02 3.396744982e+02 1.532505340e+02 2.324184423e+02 1.14 3.422957388e+02 2.123259818e+02 3.051641801e+02 3.424265749e+02 3.425213938e+02 1.177379128e+02 2.183603626e+02 3.164132517e+02 1.410358382e+02 2.157186988e+02 1.16 3.193103905e+02 1.967702490e+02 2.840710895e+02 3.193798548e+02 3.194551708e+02 1.084805493e+02 2.027807502e+02 2.948765994e+02 1.297389603e+02 2.001849275e+02 1.18 2.979949776e+02 1.823969403e+02 2.645892199e+02 2.979874612e+02 2.980321130e+02 1.000030733e+02 1.883328228e+02 2.749100902e+02 1.192775595e+02 1.857308452e+02 1.20 2.781745812e+02 1.690902554e+02 2.466047653e+02 2.780969647e+02 2.781004669e+02 9.225841533e+01 1.748796940e+02 2.563542676e+02 1.096060171e+02 1.722329074e+02 1.22 2.597294777e+02 1.567460839e+02 2.299772976e+02 2.596063765e+02 2.595560316e+02 8.517240189e+01 1.623229207e+02 2.391084284e+02 1.006842195e+02 1.596205977e+02 1.24 2.425760832e+02 1.452660104e+02 2.145674256e+02 2.424227841e+02 2.423173998e+02 7.867105686e+01 1.505627081e+02 2.230815183e+02 9.246903519e+01 1.478588387e+02 1.26 2.265952574e+02 1.346018381e+02 2.002470385e+02 2.264523037e+02 2.263175076e+02 7.268831843e+01 1.395535923e+02 2.081762896e+02 8.490601764e+01 1.368765642e+02 1.28 2.116856796e+02 1.247002506e+02 1.869043408e+02 2.115868205e+02 2.114490891e+02 6.716382985e+01 1.292277212e+02 1.943012633e+02 7.793990663e+01 1.266152846e+02 1.30 1.978253633e+02 1.155010551e+02 1.744984989e+02 1.977610405e+02 1.976346025e+02 6.207184113e+01 1.195489373e+02 1.813999383e+02 7.153248312e+01 1.170817072e+02 1.32 1.849240407e+02 1.069294533e+02 1.629310566e+02 1.848760857e+02 1.847744042e+02 5.736059849e+01 1.104865930e+02 1.693821762e+02 6.563673890e+01 1.082264339e+02 1.34 1.728907621e+02 9.891488196e+01 1.521072704e+02 1.728581992e+02 1.727936119e+02 5.298433593e+01 1.020159846e+02 1.581594828e+02 6.021588762e+01 1.000000772e+02 1.36 1.616481931e+02 9.140114461e+01 1.419578268e+02 1.616374954e+02 1.616169396e+02 4.891292253e+01 9.412548223e+01 1.476520234e+02 5.522467423e+01 9.236643504e+01 1.38 1.511283033e+02 8.435491026e+01 1.324494150e+02 1.511383879e+02 1.511592012e+02 4.515125440e+01 8.678509747e+01 1.377885841e+02 5.061668315e+01 8.530693323e+01 1.40 1.412528184e+02 7.773209488e+01 1.235167112e+02 1.412834306e+02 1.413407508e+02 4.166834506e+01 7.995896232e+01 1.285129245e+02 4.635139074e+01 7.878247956e+01 1.42 1.319578843e+02 7.151096463e+01 1.151079280e+02 1.320124015e+02 1.321011416e+02 3.844006725e+01 7.362036494e+01 1.197891817e+02 4.239616230e+01 7.275340093e+01 1.44 1.231740141e+02 6.569382676e+01 1.071733110e+02 1.232696422e+02 1.233856938e+02 3.544321618e+01 6.773844810e+01 1.115909185e+02 3.873227603e+01 6.717995338e+01 1.46 1.149148628e+02 6.026242822e+01 9.966993157e+01 1.150438327e+02 1.151753023e+02 3.265467228e+01 6.228125322e+01 1.039031685e+02 3.535029096e+01 6.202227969e+01 1.48 1.071737786e+02 5.519199083e+01 9.255457916e+01 1.073108602e+02 1.074400370e+02 3.005312697e+01 5.721838344e+01 9.668430994e+01 3.222233121e+01 5.724037059e+01 1.50 9.990532794e+01 5.046110896e+01 8.583496816e+01 1.000351715e+02 1.001544714e+02 2.762225699e+01 5.252541462e+01 8.989533395e+01 2.933217467e+01 5.279403007e+01 1.52 9.306565482e+01 4.604895140e+01 7.949146491e+01 9.317564638e+01 9.328066685e+01 2.534406332e+01 4.818330071e+01 8.349897007e+01 2.665636756e+01 4.864551051e+01 1.54 8.661704492e+01 4.193463471e+01 7.353652641e+01 8.670420010e+01 8.679064784e+01 2.322160030e+01 4.417539581e+01 7.747488233e+01 2.417300751e+01 4.476576010e+01 1.56 8.053356983e+01 3.809791272e+01 6.795306945e+01 8.059591604e+01 8.065826226e+01 2.124330832e+01 4.047498642e+01 7.180894740e+01 2.186117640e+01 4.112601727e+01 1.58 7.480531883e+01 3.451845878e+01 6.271738761e+01 7.483830968e+01 7.487130054e+01 1.939446142e+01 3.705529292e+01 6.647879858e+01 1.970785680e+01 3.773857067e+01 1.60 6.941344640e+01 3.117777948e+01 5.780607183e+01 6.941080706e+01 6.940816773e+01 1.766062052e+01 3.388949203e+01 6.146349985e+01 1.770559255e+01 3.458993655e+01 1.62 6.433589576e+01 2.805619973e+01 5.319766131e+01 6.429899047e+01 6.426208518e+01 1.603008196e+01 3.095182464e+01 5.674096106e+01 1.584327341e+01 3.165804978e+01 1.64 5.955021813e+01 2.514382922e+01 4.887397309e+01 5.948616733e+01 5.942211652e+01 1.449437262e+01 2.822038650e+01 5.230131185e+01 1.410782800e+01 2.892073981e+01 1.66 5.503455978e+01 2.242947035e+01 4.482293941e+01 5.495237807e+01 5.487019635e+01 1.305052764e+01 2.567191601e+01 4.812832208e+01 1.249632189e+01 2.635693247e+01 1.68 5.077401518e+01 1.991154319e+01 4.103946270e+01 5.068289812e+01 5.059178106e+01 1.170257001e+01 2.329476168e+01 4.420605721e+01 1.099895955e+01 2.395437384e+01 1.70 4.674734681e+01 1.758645521e+01 3.751104547e+01 4.665826026e+01 4.656917371e+01 1.044714479e+01 2.107387754e+01 4.051672810e+01 9.608828789e+00 2.169343668e+01 1.72 4.295725805e+01 1.544691760e+01 3.422456613e+01 4.287695304e+01 4.279664803e+01 9.280298887e+00 1.899210483e+01 3.706130667e+01 8.317373481e+00 1.957831986e+01 1.74 3.941017950e+01 1.348658166e+01 3.116671792e+01 3.934025667e+01 3.927033384e+01 8.197923528e+00 1.703405876e+01 3.383340082e+01 7.121390919e+00 1.761721508e+01 1.76 3.609237315e+01 1.169405910e+01 2.832400234e+01 3.603431823e+01 3.597626330e+01 7.195750595e+00 1.519395393e+01 3.081840570e+01 6.017937714e+00 1.579840694e+01 1.78 3.299010760e+01 1.005796046e+01 2.568272316e+01 3.294528033e+01 3.290045307e+01 6.269349163e+00 1.346991834e+01 2.800202265e+01 5.000032308e+00 1.411044419e+01 1.80 3.008964758e+01 8.566887483e+00 2.322898138e+01 3.005927069e+01 3.002889380e+01 5.414122280e+00 1.185332580e+01 2.537084718e+01 4.062721012e+00 1.254212508e+01 1.82 2.737724409e+01 7.209426040e+00 2.094867112e+01 2.736239219e+01 2.734754028e+01 4.625304174e+00 1.033431035e+01 2.291392660e+01 3.201658686e+00 1.108248317e+01 1.84 2.483912509e+01 5.974139794e+00 1.882747675e+01 2.484071370e+01 2.484230232e+01 3.897958038e+00 8.918201345e+00 2.061817721e+01 2.412465141e+00 9.720773594e+00 1.86 2.246272272e+01 4.850327973e+00 1.685174348e+01 2.248118927e+01 2.249965583e+01 3.226974633e+00 7.604281465e+00 1.847508260e+01 1.690720644e+00 8.447210763e+00 1.88 2.023851236e+01 3.828948415e+00 1.500953173e+01 2.027312401e+01 2.030773565e+01 2.607071951e+00 6.386714033e+00 1.648263392e+01 1.031961810e+00 7.254567099e+00 1.90 1.815513285e+01 2.898827399e+00 1.328628739e+01 1.820482172e+01 1.825451060e+01 2.032796232e+00 5.259720573e+00 1.463124795e+01 4.316776052e-01 6.136949394e+00 1.92 1.621106408e+01 2.053482894e+00 1.167358066e+01 1.627203262e+01 1.633300117e+01 1.498524652e+00 4.217643668e+00 1.291457311e+01 -1.143472568e-01 5.094103132e+00 1.94 1.440701959e+01 1.287598547e+00 1.016622196e+01 1.447256111e+01 1.453810264e+01 9.999552426e-01 3.256292425e+00 1.132696027e+01 -6.092055282e-01 4.126888139e+00 1.96 1.273504324e+01 5.915695918e-01 8.759813405e+00 1.279923948e+01 1.286343572e+01 5.380548758e-01 2.370735641e+00 9.859826027e+00 -1.057248235e+00 3.231826183e+00 1.98 1.118712617e+01 -4.388794896e-02 7.442869736e+00 1.124315350e+01 1.129918082e+01 1.080996765e-01 1.556168832e+00 8.504522993e+00 -1.461066668e+00 2.405408619e+00 2.00 9.755203444e+00 -6.236659426e-01 6.213428856e+00 9.797714109e+00 9.840224775e+00 -2.902601685e-01 8.119585521e-01 7.252337063e+00 -1.821698014e+00 1.644093813e+00 2.02 8.431151171e+00 -1.155477988e+00 5.085919921e+00 8.460360326e+00 8.489569482e+00 -6.492685175e-01 1.345812514e-01 6.094485271e+00 -2.142772314e+00 9.443046239e-01 2.04 7.206784048e+00 -1.646946904e+00 4.054809187e+00 7.223469187e+00 7.240154326e+00 -9.712393727e-01 -4.801780033e-01 5.022114242e+00 -2.427012970e+00 3.024259241e-01 2.06 6.073853365e+00 -2.093398303e+00 3.113825959e+00 6.079161151e+00 6.084468938e+00 -1.258942758e+00 -1.036464290e+00 4.026907913e+00 -2.677729353e+00 -2.851977904e-01 2.08 5.024045573e+00 -2.496166169e+00 2.256794594e+00 5.019507423e+00 5.014969272e+00 -1.515187332e+00 -1.538357201e+00 3.102624636e+00 -2.897106253e+00 -8.222646947e-01 2.10 4.048981456e+00 -2.860934105e+00 1.477629742e+00 4.036528552e+00 4.024075648e+00 -1.742821086e+00 -1.989875164e+00 2.240683983e+00 -3.088194608e+00 -1.312517787e+00 2.12 3.140215966e+00 -3.192135409e+00 7.703317011e-01 3.122193599e+00 3.104171231e+00 -1.944731598e+00 -2.394908790e+00 1.434882079e+00 -3.254370563e+00 -1.759746857e+00 2.14 2.290058723e+00 -3.489162357e+00 1.289819134e-01 2.269136971e+00 2.248215218e+00 -2.123845761e+00 -2.756621837e+00 6.900221119e-01 -3.396331830e+00 -2.167444896e+00 2.16 1.497708826e+00 -3.754918177e+00 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