# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Tseplyaev-V-I-Starikov-S-V--U-N # implementation = 2016--Tseplyaev-V-I--U-N--LAMMPS--ipr1 # composition = U # 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 2.258371197e+05 nan 0.80 nan nan nan nan nan nan nan nan 1.892101090e+05 nan 0.82 nan nan nan nan nan nan nan nan 1.586566851e+05 nan 0.84 nan nan nan nan nan 1.413290916e+05 nan nan 1.331424120e+05 nan 0.86 nan nan nan nan nan 1.196695885e+05 nan nan 1.118150377e+05 nan 0.88 nan nan nan nan nan 1.013768679e+05 nan nan 9.397023020e+04 nan 0.90 nan nan nan nan nan 8.591780443e+04 nan nan 7.902444833e+04 nan 0.92 nan nan nan nan nan 7.284337620e+04 nan nan 6.649568545e+04 nan 0.94 nan nan nan 1.857905025e+05 1.857991589e+05 6.177891648e+04 nan nan 5.598602389e+04 9.848883434e+04 0.96 nan 6.375103575e+04 nan 1.576882892e+05 1.576953020e+05 5.241050375e+04 7.774634774e+04 nan 4.716257169e+04 8.330221347e+04 0.98 nan 5.328042448e+04 nan 1.338617233e+05 1.338674574e+05 4.447455097e+04 6.554409728e+04 nan 3.974960095e+04 7.048326666e+04 1.00 nan 4.454091233e+04 nan 1.136546801e+05 1.136592482e+05 3.774951474e+04 5.527652499e+04 nan 3.351762717e+04 5.965768959e+04 1.02 nan 3.724379823e+04 nan 9.651280193e+04 9.651633611e+04 3.204868802e+04 4.663204790e+04 nan 2.827527406e+04 5.051122299e+04 1.04 nan 3.115032875e+04 nan 8.196945815e+04 8.197158635e+04 2.721432658e+04 3.935101089e+04 nan 2.386259059e+04 4.278117534e+04 1.06 nan 2.605969852e+04 nan 6.962637001e+04 6.962719673e+04 2.311283198e+04 3.321714041e+04 5.881935781e+04 2.014691436e+04 3.624437857e+04 1.08 5.914895487e+04 2.180485059e+04 4.658239847e+04 5.914969493e+04 5.915070937e+04 1.963453119e+04 2.804767591e+04 4.982118707e+04 1.701614045e+04 3.071425141e+04 1.10 5.025351142e+04 1.825055372e+04 3.944627917e+04 5.025465760e+04 5.025597231e+04 1.668193858e+04 2.368897474e+04 4.220369666e+04 1.437685041e+04 2.603407455e+04 1.12 4.269960071e+04 1.527852648e+04 3.340736735e+04 4.270109701e+04 4.270256136e+04 1.417467695e+04 2.001239192e+04 3.575357853e+04 1.215050518e+04 2.207192235e+04 1.14 3.628414242e+04 1.279363525e+04 2.829626005e+04 3.628587254e+04 3.628741863e+04 1.204527689e+04 1.691019326e+04 3.029312739e+04 1.027243396e+04 1.871661577e+04 1.16 3.083251514e+04 1.071456105e+04 2.396975190e+04 3.083467541e+04 3.083657571e+04 1.023658664e+04 1.429183549e+04 2.566822702e+04 8.687066993e+03 1.587376474e+04 1.18 2.620607911e+04 8.975017888e+03 2.030676201e+04 2.620794221e+04 2.620952755e+04 8.700135238e+03 1.208133515e+04 2.175324469e+04 7.348109703e+03 1.346684616e+04 1.20 2.227640184e+04 7.519148400e+03 1.720519921e+04 2.227776783e+04 2.227893733e+04 7.394857412e+03 1.021483212e+04 1.843661452e+04 6.216953707e+03 1.142738346e+04 1.22 1.893684146e+04 6.300447756e+03 1.457870663e+04 1.893772186e+04 1.893856544e+04 6.285866889e+03 8.638467783e+03 1.562614772e+04 5.261092780e+03 9.698237330e+03 1.24 1.609830942e+04 5.280113148e+03 1.235360868e+04 1.609876701e+04 1.609931377e+04 5.342879660e+03 7.306590090e+03 1.324452795e+04 4.452701267e+03 8.231684527e+03 1.26 1.368561709e+04 4.425765856e+03 1.047091526e+04 1.368589729e+04 1.368634332e+04 4.543434253e+03 6.181693316e+03 1.122630170e+04 3.770161768e+03 6.987584621e+03 1.28 1.163485089e+04 3.710266182e+03 8.876233269e+03 1.163499065e+04 1.163535178e+04 3.864047990e+03 5.230758453e+03 9.515965911e+03 3.192975840e+03 5.932017584e+03 1.30 9.891630707e+03 3.110929334e+03 7.524870840e+03 9.891659546e+03 9.891905628e+03 3.286177843e+03 4.426565804e+03 8.066471478e+03 2.704513970e+03 5.036308540e+03 1.32 8.409804110e+03 2.608755514e+03 6.379593669e+03 8.409750764e+03 8.409858873e+03 2.794645715e+03 3.746395327e+03 6.837944066e+03 2.291066725e+03 4.276124787e+03 1.34 7.150097022e+03 2.187840201e+03 5.408966107e+03 7.150004411e+03 7.149958911e+03 2.376602024e+03 3.171014052e+03 5.796429601e+03 1.941063685e+03 3.630822510e+03 1.36 6.079166167e+03 1.834947891e+03 4.586275618e+03 6.079052522e+03 6.078855542e+03 2.021073200e+03 2.684163501e+03 4.913934478e+03 1.644588818e+03 3.082953944e+03 1.38 5.168713022e+03 1.539020085e+03 3.888912602e+03 5.168563613e+03 5.168252395e+03 1.718710662e+03 2.271560741e+03 4.165923979e+03 1.394319940e+03 2.617806230e+03 1.40 4.394606168e+03 1.290824751e+03 3.297705075e+03 4.394447094e+03 4.394098186e+03 1.461521159e+03 1.923554740e+03 3.531812557e+03 1.182358638e+03 2.222865238e+03 1.42 3.735768965e+03 1.082661883e+03 2.796472360e+03 3.735648688e+03 3.735335839e+03 1.242724689e+03 1.629161301e+03 2.993802536e+03 1.002631432e+03 1.886309447e+03 1.44 3.176628724e+03 9.080849786e+02 2.371533709e+03 3.176557827e+03 3.176329962e+03 1.056583912e+03 1.379802806e+03 2.538347745e+03 8.502456987e+02 1.602685308e+03 1.46 2.701429167e+03 7.616478565e+02 2.011273824e+03 2.701383821e+03 2.701270012e+03 8.982535949e+02 1.168536929e+03 2.152284192e+03 7.210109294e+02 1.362305932e+03 1.48 2.297335640e+03 6.387597167e+02 1.705776458e+03 2.297317497e+03 2.297340280e+03 7.635695350e+02 9.895605756e+02 1.824829408e+03 6.114127676e+02 1.158170964e+03 1.50 1.953528939e+03 5.355934129e+02 1.446640371e+03 1.953562344e+03 1.953723749e+03 6.489864684e+02 8.379590905e+02 1.546952571e+03 5.184449821e+02 9.845306015e+02 1.52 1.660971299e+03 4.489901909e+02 1.226809494e+03 1.661097122e+03 1.661385961e+03 5.515129331e+02 7.095452113e+02 1.311151024e+03 4.395783967e+02 8.368381533e+02 1.54 1.412032018e+03 3.762921458e+02 1.040317898e+03 1.412255725e+03 1.412635692e+03 4.686148955e+02 6.007694400e+02 1.111108575e+03 3.726669415e+02 7.112628132e+02 1.56 1.200183019e+03 3.152613943e+02 8.820568771e+02 1.200511339e+03 1.200937876e+03 3.981035152e+02 5.086232125e+02 9.414268353e+02 3.158878079e+02 6.045051549e+02 1.58 1.019910228e+03 2.640349683e+02 7.477085059e+02 1.020331313e+03 1.020766103e+03 3.381209192e+02 4.305627002e+02 7.975443179e+02 2.677183536e+02 5.137758658e+02 1.60 8.665287334e+02 2.210727417e+02 6.336054261e+02 8.670089854e+02 8.674180264e+02 2.870775960e+02 3.644818264e+02 6.755667744e+02 2.268571171e+02 4.366795110e+02 1.62 7.360893112e+02 1.850763968e+02 5.366629311e+02 7.365767802e+02 7.369293738e+02 2.436310631e+02 3.082368043e+02 5.722071961e+02 1.921851941e+02 3.711467880e+02 1.64 6.252541398e+02 1.543053779e+02 4.542926198e+02 6.256606519e+02 6.259281296e+02 2.066326145e+02 2.611615834e+02 4.846180634e+02 1.625370678e+02 3.154085204e+02 1.66 5.311093193e+02 1.294631106e+02 3.843384227e+02 5.313786960e+02 5.315468191e+02 1.751156552e+02 2.213645963e+02 4.103759171e+02 1.377837178e+02 2.679651623e+02 1.68 4.511289607e+02 1.087842009e+02 3.249818626e+02 4.512369901e+02 4.513015280e+02 1.482684686e+02 1.876218033e+02 3.474168155e+02 1.168397363e+02 2.275783201e+02 1.70 3.831491543e+02 9.145564155e+01 2.746616206e+02 3.831120020e+02 3.830759645e+02 1.253998649e+02 1.589988945e+02 2.940146870e+02 9.903816285e+01 1.931873249e+02 1.72 3.253194617e+02 7.679499449e+01 2.320611789e+02 3.251746841e+02 3.250486621e+02 1.059427162e+02 1.347270241e+02 2.487019759e+02 8.384648219e+01 1.638831438e+02 1.74 2.761048840e+02 6.438542859e+01 1.954484104e+02 2.758655094e+02 2.756630127e+02 8.941080670e+01 1.141382533e+02 2.102445924e+02 7.088005407e+01 1.389201909e+02 1.76 2.342089894e+02 5.387669857e+01 1.654201666e+02 2.338987554e+02 2.336368419e+02 7.537324495e+01 9.666210042e+01 1.775915447e+02 5.981796726e+01 1.176701107e+02 1.78 1.985185630e+02 4.497486594e+01 1.401920933e+02 1.981715783e+02 1.978715815e+02 6.345538665e+01 8.181093861e+01 1.498486901e+02 5.039001713e+01 9.958193928e+01 1.80 1.680954804e+02 3.693116979e+01 1.188960377e+02 1.677522740e+02 1.674357309e+02 5.333326924e+01 6.916889976e+01 1.262779357e+02 4.235944596e+01 8.417451691e+01 1.82 1.421673943e+02 3.092508752e+01 1.007814457e+02 1.418589983e+02 1.415469963e+02 4.472921666e+01 5.839640047e+01 1.062556019e+02 3.551875426e+01 7.104900017e+01 1.84 1.200718949e+02 2.602025500e+01 8.535473114e+01 1.198212650e+02 1.195418302e+02 3.741933637e+01 4.921612194e+01 8.925808156e+01 2.970262835e+01 5.986479318e+01 1.86 1.012455268e+02 2.194052941e+01 7.222053006e+01 1.010696758e+02 1.008461618e+02 3.120933031e+01 4.138805890e+01 7.484521150e+01 2.476499675e+01 5.033112350e+01 1.88 8.521491173e+01 1.846715216e+01 6.103982082e+01 8.512591026e+01 8.497373708e+01 2.593281817e+01 3.470818784e+01 6.264164837e+01 2.056923591e+01 4.220403927e+01 1.90 7.159085695e+01 1.551199635e+01 5.152458933e+01 7.158748547e+01 7.151540923e+01 2.144767819e+01 2.885138497e+01 5.232701149e+01 1.699804922e+01 3.528928553e+01 1.92 6.003559782e+01 1.301969623e+01 4.343538291e+01 6.010593831e+01 6.011601274e+01 1.763952036e+01 2.410661003e+01 4.362626084e+01 1.395437106e+01 2.941873922e+01 1.94 5.026052410e+01 1.093017917e+01 3.656733722e+01 5.038490571e+01 5.046829681e+01 1.441162713e+01 2.010249762e+01 3.636611663e+01 1.136541069e+01 2.444924017e+01 1.96 4.200453949e+01 9.178830662e+00 3.074185766e+01 4.216910222e+01 4.230867570e+01 1.167909248e+01 1.670316026e+01 2.960787615e+01 9.169750500e+00 2.024616222e+01 1.98 3.504503755e+01 7.702433317e+00 2.580314407e+01 3.522844291e+01 3.540153431e+01 9.368539032e+00 1.379496992e+01 2.497632459e+01 7.309183711e+00 1.669839982e+01 2.00 2.929240787e+01 6.460172581e+00 2.168092212e+01 2.947125481e+01 2.965694799e+01 7.450626403e+00 1.134038074e+01 2.130715142e+01 5.760941483e+00 1.376075149e+01 2.02 2.345866723e+01 5.268418680e+00 1.751414223e+01 2.362141574e+01 2.380777118e+01 5.500431070e+00 8.919957825e+00 1.793726325e+01 4.202943772e+00 1.078575345e+01 2.04 2.009135825e+01 4.438601055e+00 1.500102304e+01 2.023762062e+01 2.041909651e+01 4.372224974e+00 7.387253940e+00 1.554161021e+01 3.270096316e+00 9.043660359e+00 2.06 1.751242966e+01 3.755360129e+00 1.302229914e+01 1.764973916e+01 1.782418914e+01 3.511912347e+00 6.182666280e+00 1.352851615e+01 2.540369427e+00 7.691288491e+00 2.08 1.540150776e+01 3.172826270e+00 1.136199229e+01 1.553703737e+01 1.570471319e+01 2.816386269e+00 5.189166343e+00 1.178683993e+01 1.927119066e+00 6.567429804e+00 2.10 1.352055500e+01 2.656263503e+00 9.861198537e+00 1.365499620e+01 1.381229101e+01 2.207993679e+00 4.303592317e+00 1.024337026e+01 1.363813419e+00 5.559921330e+00 2.12 1.181730914e+01 2.188308278e+00 8.487413076e+00 1.195036162e+01 1.209325290e+01 1.666947313e+00 3.505055881e+00 8.876296126e+00 8.411328714e-01 4.642967469e+00 2.14 1.028509724e+01 1.760635929e+00 7.235567312e+00 1.041260199e+01 1.053638319e+01 1.186334768e+00 2.784118120e+00 7.675327880e+00 3.605612474e-01 3.810307167e+00 2.16 8.919176158e+00 1.365507036e+00 6.100294866e+00 9.028060352e+00 9.123100424e+00 5.697536642e-01 2.133405156e+00 6.627128569e+00 -1.371623948e-01 3.055805559e+00 2.18 7.711378421e+00 9.992909499e-01 5.074565059e+00 7.792506756e+00 7.850675469e+00 -5.633460825e-02 1.544003114e+00 5.713833727e+00 -8.329552270e-01 2.372148144e+00 2.20 6.651222774e+00 6.575855387e-01 4.153377032e+00 6.698505237e+00 6.715814573e+00 -6.254262285e-01 1.016866713e+00 4.917327669e+00 -1.411328331e+00 1.751767874e+00 2.22 5.731256530e+00 3.389758943e-01 3.344700651e+00 5.738126234e+00 5.712701238e+00 -1.154711486e+00 5.500071874e-01 4.217983887e+00 -1.947702729e+00 1.193349367e+00 2.24 4.939748485e+00 3.900113272e-02 2.651007136e+00 4.901731596e+00 4.835445671e+00 -1.617670060e+00 1.402263442e-01 3.592684949e+00 -2.419552362e+00 6.913729376e-01 2.26 4.254269257e+00 -2.461190860e-01 2.073075970e+00 4.173325612e+00 4.073270259e+00 -1.996543570e+00 -2.175469949e-01 3.018091684e+00 -2.813653584e+00 2.389919638e-01 2.28 3.649094873e+00 -5.210210817e-01 1.603611201e+00 3.533018927e+00 3.410161480e+00 -2.293994417e+00 -5.300634860e-01 2.483628547e+00 -3.134698158e+00 -1.705911113e-01 2.30 3.098950377e+00 -1.043368473e+00 1.230115764e+00 2.959440904e+00 2.826359657e+00 -2.522375519e+00 -8.006441636e-01 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