# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Duan-X-Xie-F-Guo-X-et-al--Ta-He # implementation = 2019--Duan-X--Ta-He--LAMMPS--ipr1 # composition = He # 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 3.506783861e+01 nan 0.80 nan nan nan nan nan nan nan nan 3.141492896e+01 nan 0.82 nan nan nan nan nan nan nan nan 2.816164019e+01 nan 0.84 nan nan nan nan nan nan nan nan 2.526720048e+01 nan 0.86 nan nan nan nan nan 2.004499284e+01 nan nan 2.270290625e+01 nan 0.88 nan nan nan nan nan 1.808988953e+01 nan nan 2.041713138e+01 nan 0.90 nan nan nan nan nan 1.634034702e+01 nan nan 1.837193962e+01 nan 0.92 nan nan nan nan nan 1.477010736e+01 nan nan 1.653871171e+01 nan 0.94 nan nan nan nan nan 1.336231184e+01 nan nan 1.490148699e+01 nan 0.96 nan nan nan 3.404673495e+01 3.404781055e+01 1.209904651e+01 nan nan 1.343271596e+01 2.075279692e+01 0.98 nan nan nan 3.101782808e+01 3.101892845e+01 1.096383885e+01 nan nan 1.211517176e+01 1.880759338e+01 1.00 nan 1.629925276e+01 nan 2.827447312e+01 2.827552207e+01 9.942535459e+00 1.709265866e+01 nan 1.093419055e+01 1.705443702e+01 1.02 nan 1.474013445e+01 nan 2.578676278e+01 2.578779317e+01 9.023519194e+00 1.549171848e+01 nan 9.872237440e+00 1.547168231e+01 1.04 nan 1.333270681e+01 nan 2.352947429e+01 2.353041652e+01 8.194601832e+00 1.404472193e+01 nan 8.918340005e+00 1.404265486e+01 1.06 nan 1.205913875e+01 nan 2.147863571e+01 2.147958024e+01 7.446781587e+00 1.273883953e+01 nan 8.059463775e+00 1.275069910e+01 1.08 nan 1.091668340e+01 nan 1.961397410e+01 1.961483166e+01 6.771577318e+00 1.155597874e+01 nan 7.286748809e+00 1.158208495e+01 1.10 1.791623222e+01 9.878456603e+00 1.553471535e+01 1.791686015e+01 1.791757461e+01 6.161032502e+00 1.048493946e+01 1.623701769e+01 6.590643254e+00 1.052440423e+01 1.12 1.637027054e+01 8.939957089e+00 1.416425909e+01 1.637070957e+01 1.637138644e+01 5.607989587e+00 9.517793661e+00 1.481494986e+01 5.961973523e+00 9.565513527e+00 1.14 1.496028315e+01 8.094125411e+00 1.291323506e+01 1.496093958e+01 1.496157401e+01 5.106588630e+00 8.640880614e+00 1.351891277e+01 5.395884898e+00 8.696483486e+00 1.16 1.367417010e+01 7.325107933e+00 1.177692687e+01 1.367471723e+01 1.367547921e+01 4.651445357e+00 7.844269167e+00 1.233669192e+01 4.884015401e+00 7.907733607e+00 1.18 1.249857108e+01 6.630760978e+00 1.073854532e+01 1.249939868e+01 1.250011263e+01 4.238103897e+00 7.122036576e+00 1.125702781e+01 4.421357857e+00 7.191304339e+00 1.20 1.142370555e+01 6.001679364e+00 9.793521134e+00 1.142446236e+01 1.142508030e+01 3.862164804e+00 6.467290456e+00 1.027306671e+01 4.002933391e+00 6.539888571e+00 1.22 1.044454122e+01 5.430425918e+00 8.932311442e+00 1.044523279e+01 1.044580429e+01 3.521176551e+00 5.873481604e+00 9.379575375e+00 3.625424198e+00 5.949527403e+00 1.24 9.554332318e+00 4.914921449e+00 8.149973138e+00 9.554740683e+00 9.555273481e+00 3.212438049e+00 5.334958226e+00 8.563626910e+00 3.285019901e+00 5.415032026e+00 1.26 8.738085191e+00 4.446794947e+00 7.434792717e+00 8.738585279e+00 8.739043994e+00 2.930601438e+00 4.846238677e+00 7.816082235e+00 2.976405982e+00 4.928493090e+00 1.28 7.989766244e+00 4.023334570e+00 6.780291733e+00 7.990122287e+00 7.990538297e+00 2.673393682e+00 4.401161058e+00 7.135526814e+00 2.696420461e+00 4.484706914e+00 1.30 7.302941322e+00 3.638517885e+00 6.182375884e+00 7.303109979e+00 7.303464769e+00 2.438275186e+00 3.996117522e+00 6.512726431e+00 2.442545916e+00 4.079750340e+00 1.32 6.680417838e+00 3.290272131e+00 5.640250159e+00 6.680793720e+00 6.681191588e+00 2.226084119e+00 3.630497286e+00 5.943680770e+00 2.214128330e+00 3.714433824e+00 1.34 6.109023648e+00 2.975256206e+00 5.143391900e+00 6.109330680e+00 6.109661233e+00 2.031721559e+00 3.297080553e+00 5.425506814e+00 2.006625316e+00 3.380829627e+00 1.36 5.583146804e+00 2.688486837e+00 4.688595614e+00 5.583623354e+00 5.583926298e+00 1.853608179e+00 2.993481373e+00 4.950296942e+00 1.818035424e+00 3.075723214e+00 1.38 5.104446436e+00 2.429251948e+00 4.274799782e+00 5.104888167e+00 5.105247808e+00 1.691814653e+00 2.717785534e+00 4.516020777e+00 1.647704057e+00 2.799522839e+00 1.40 4.666468931e+00 2.194901789e+00 3.896838321e+00 4.666792600e+00 4.667121978e+00 1.544185760e+00 2.467723860e+00 4.120602411e+00 1.493266530e+00 2.548135448e+00 1.42 4.262574504e+00 1.981570199e+00 3.549815793e+00 4.262950666e+00 4.263250951e+00 1.408486362e+00 2.239137969e+00 3.756416225e+00 1.352717007e+00 2.317527995e+00 1.44 3.896106926e+00 1.788694980e+00 3.234977249e+00 3.896333726e+00 3.896569711e+00 1.285619720e+00 2.032542914e+00 3.426660078e+00 1.225918367e+00 2.109232864e+00 1.46 3.558743791e+00 1.614376666e+00 2.946772594e+00 3.559027101e+00 3.559242600e+00 1.173037989e+00 1.844207130e+00 3.122908412e+00 1.110585614e+00 1.918530634e+00 1.48 3.250367510e+00 1.456116688e+00 2.683179228e+00 3.250373634e+00 3.250511485e+00 1.069967142e+00 1.672815393e+00 2.847046434e+00 1.005931740e+00 1.744952689e+00 1.50 2.968232238e+00 1.312818572e+00 2.443343398e+00 2.968352356e+00 2.968513437e+00 9.763090643e-01 1.517343998e+00 2.593678633e+00 9.111007118e-01 1.586977378e+00 1.52 2.708998563e+00 1.182958413e+00 2.223296903e+00 2.709029237e+00 2.709175371e+00 8.900497245e-01 1.375454017e+00 2.362730598e+00 8.247396142e-01 1.442711596e+00 1.54 2.472794927e+00 1.065611076e+00 2.023413874e+00 2.472972556e+00 2.473104148e+00 8.116513554e-01 1.247007078e+00 2.151629649e+00 7.468341313e-01 1.311684400e+00 1.56 2.255705332e+00 9.594428782e-01 1.840305460e+00 2.255748012e+00 2.255827326e+00 7.397638557e-01 1.129886994e+00 1.958391724e+00 6.757702954e-01 1.192022889e+00 1.58 2.057707228e+00 8.633895963e-01 1.673526417e+00 2.057743523e+00 2.057813696e+00 6.742420708e-01 1.023706203e+00 1.782488840e+00 6.115015736e-01 1.083187815e+00 1.60 1.875843808e+00 7.764866968e-01 1.520896023e+00 1.875953256e+00 1.876015339e+00 6.141543388e-01 9.269924341e-01 1.621048350e+00 5.531542465e-01 9.837224082e-01 1.62 1.709752989e+00 6.978693562e-01 1.381892101e+00 1.709892273e+00 1.710027831e+00 5.593440267e-01 8.392552824e-01 1.474076860e+00 5.002951560e-01 8.932147106e-01 1.64 1.557858540e+00 6.270894992e-01 1.255115672e+00 1.558064694e+00 1.558187582e+00 5.092644690e-01 7.594843148e-01 1.340019385e+00 4.522281704e-01 8.108141860e-01 1.66 1.418572610e+00 5.627928217e-01 1.139029239e+00 1.418562664e+00 1.418634399e+00 4.632800869e-01 6.867375340e-01 1.217196194e+00 4.085287985e-01 7.354394728e-01 1.68 1.291884425e+00 5.047884486e-01 1.033992792e+00 1.291991563e+00 1.292095465e+00 4.216059530e-01 6.209562956e-01 1.105447847e+00 3.690697880e-01 6.672888170e-01 1.70 1.175464260e+00 4.523896266e-01 9.378342158e-01 1.175601122e+00 1.175695404e+00 3.834204345e-01 5.610067359e-01 1.003455569e+00 3.331953155e-01 6.049304222e-01 1.72 1.068926666e+00 4.050178523e-01 8.499424797e-01 1.069051894e+00 1.069137410e+00 3.484277447e-01 5.065940158e-01 9.103633502e-01 3.006314883e-01 5.484098725e-01 1.74 9.720524735e-01 3.624163320e-01 7.702477037e-01 9.722462219e-01 9.723237513e-01 3.166349962e-01 4.574320829e-01 8.255668070e-01 2.712451293e-01 4.968974708e-01 1.76 8.832363365e-01 3.242049588e-01 6.975916543e-01 8.834149547e-01 8.834852271e-01 2.876669408e-01 4.126162372e-01 7.480145845e-01 2.444546115e-01 4.498517325e-01 1.78 8.024081232e-01 2.895183870e-01 6.311207949e-01 8.022917798e-01 8.023152857e-01 2.610062463e-01 3.719383935e-01 6.776725155e-01 2.201321162e-01 4.071125380e-01 1.80 7.284742532e-01 2.582453770e-01 5.708509274e-01 7.283638781e-01 7.283840688e-01 2.367928550e-01 3.351751762e-01 6.134486937e-01 1.982705520e-01 3.682401876e-01 1.82 6.609309805e-01 2.300471986e-01 5.159839732e-01 6.608261165e-01 6.608432424e-01 2.146844082e-01 3.017390997e-01 5.549061594e-01 1.783881166e-01 3.328588554e-01 1.84 5.991805360e-01 2.046524362e-01 4.659668974e-01 5.991577527e-01 5.991720262e-01 1.944832639e-01 2.714507160e-01 5.016530321e-01 1.603411123e-01 3.006256613e-01 1.86 5.429400942e-01 1.818846876e-01 4.206548265e-01 5.428387278e-01 5.428112341e-01 1.760423151e-01 2.439765896e-01 4.530522035e-01 1.439590636e-01 2.713458679e-01 1.88 4.914908639e-01 1.613359146e-01 3.795788422e-01 4.915143794e-01 4.915270331e-01 1.593914045e-01 2.191576523e-01 4.088270947e-01 1.291628707e-01 2.446782817e-01 1.90 4.447469985e-01 1.429534981e-01 3.420422446e-01 4.447674522e-01 4.447777342e-01 1.441161619e-01 1.966075470e-01 3.687604978e-01 1.158696653e-01 2.205288918e-01 1.92 4.020992140e-01 1.264908582e-01 3.079191226e-01 4.021553554e-01 4.021635228e-01 1.301853429e-01 1.761745831e-01 3.322722947e-01 1.037411831e-01 1.985710715e-01 1.94 3.633735870e-01 1.116403003e-01 2.769043069e-01 3.633656363e-01 3.633522056e-01 1.174897404e-01 1.576754648e-01 2.991054143e-01 9.276345093e-02 1.787750281e-01 1.96 3.279354567e-01 9.825713597e-02 2.488294574e-01 3.279404191e-01 3.279266392e-01 1.060090008e-01 1.409412520e-01 2.689205417e-01 8.283342306e-02 1.606436650e-01 1.98 2.956659462e-01 8.627617417e-02 2.232691541e-01 2.956695734e-01 2.956555926e-01 9.548020282e-02 1.258052032e-01 2.415098032e-01 7.389581647e-02 1.441869643e-01 2.00 2.662986292e-01 7.553518741e-02 2.000838865e-01 2.663805844e-01 2.663665314e-01 8.590237101e-02 1.121746963e-01 2.166848115e-01 6.586283559e-02 1.292589938e-01 2.02 2.395864075e-01 6.592009721e-02 1.790740437e-01 2.396627068e-01 2.396486902e-01 7.719427175e-02 9.984783626e-02 1.941102880e-01 5.853349787e-02 1.157242529e-01 2.04 2.154571027e-01 5.732719504e-02 1.600317922e-01 2.154504207e-01 2.154365338e-01 6.928100345e-02 8.867753003e-02 1.737431797e-01 5.195924964e-02 1.036143704e-01 2.06 1.933807344e-01 4.964398742e-02 1.427949125e-01 1.934551536e-01 1.935227836e-01 6.209360882e-02 7.860530357e-02 1.551826828e-01 4.599159795e-02 9.249560211e-02 2.08 1.733297652e-01 4.291380296e-02 1.271961748e-01 1.733993701e-01 1.734625736e-01 5.556876064e-02 6.962542965e-02 1.384204314e-01 4.061242380e-02 8.242932647e-02 2.10 1.551271100e-01 3.679469011e-02 1.130841956e-01 1.551922872e-01 1.552514254e-01 4.964831545e-02 6.145402075e-02 1.232044572e-01 3.576649979e-02 7.332047770e-02 2.12 1.386104233e-01 3.138442117e-02 1.003275470e-01 1.386715264e-01 1.387269288e-01 4.427901838e-02 5.406950636e-02 1.094547753e-01 3.140378093e-02 6.508230769e-02 2.14 1.238714204e-01 2.658741596e-02 8.902050719e-02 1.238085398e-01 1.238204254e-01 3.951890476e-02 4.745372175e-02 9.716188517e-02 2.747856018e-02 5.783599225e-02 2.16 1.102794282e-01 2.227247211e-02 7.860523628e-02 1.102197966e-01 1.102307757e-01 3.510372220e-02 4.152634643e-02 8.590916881e-02 2.398828942e-02 5.109713683e-02 2.18 9.796459776e-02 1.845150861e-02 6.920633392e-02 9.790808305e-02 9.791829115e-02 3.110583000e-02 3.614942283e-02 7.574142074e-02 2.081636536e-02 4.501209758e-02 2.20 8.681315809e-02 1.506368235e-02 6.073076488e-02 8.675961292e-02 8.676915190e-02 2.748787448e-02 3.137494192e-02 6.658461573e-02 1.796892068e-02 3.952089212e-02 2.22 7.672100988e-02 1.206582442e-02 5.309365271e-02 7.675134913e-02 7.676033241e-02 2.421584223e-02 2.706370703e-02 5.832779861e-02 1.545453948e-02 3.456892711e-02 2.24 6.762702017e-02 9.428640917e-03 4.624044187e-02 6.765571911e-02 6.766421046e-02 2.126983468e-02 2.324247282e-02 5.089255500e-02 1.317218087e-02 3.012327816e-02 2.26 5.941012310e-02 7.105062216e-03 4.007734893e-02 5.943726860e-02 5.944528368e-02 1.860994747e-02 1.982106709e-02 4.420538720e-02 1.113035754e-02 2.612149669e-02 2.28 5.202749175e-02 5.139794886e-03 3.469327797e-02 5.203365419e-02 5.202169621e-02 1.636528572e-02 1.671215053e-02 3.822478117e-02 9.304553377e-03 2.259906550e-02 2.30 4.532698714e-02 3.345061158e-03 2.970993702e-02 4.533274838e-02 4.532133771e-02 1.419226637e-02 1.393238131e-02 3.281904579e-02 7.673900459e-03 1.935848945e-02 2.32 3.929234074e-02 1.778114594e-03 2.524441926e-02 3.929770735e-02 3.928679288e-02 1.223676927e-02 1.145615716e-02 2.797865108e-02 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