# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Ta # 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 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 1.507734413e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.377493034e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.258810240e+03 nan 0.84 nan nan nan nan nan 1.054081221e+03 nan nan 1.143622966e+03 nan 0.86 nan nan nan nan nan 9.687471945e+02 nan nan 1.033049020e+03 nan 0.88 nan nan nan nan nan 8.857700409e+02 nan nan 9.282597276e+02 nan 0.90 nan nan nan nan nan 8.049940032e+02 nan nan 8.302971177e+02 nan 0.92 nan nan nan nan nan 7.263759981e+02 nan nan 7.397945909e+02 nan 0.94 nan nan nan 1.872685031e+03 1.872482380e+03 6.509407303e+02 nan nan 6.574411254e+02 1.100316897e+03 0.96 nan 7.719332429e+02 nan 1.678435016e+03 1.678246241e+03 5.792741129e+02 9.362338503e+02 nan 5.838052055e+02 9.862546164e+02 0.98 nan 6.762691452e+02 nan 1.492640721e+03 1.492466667e+03 5.118302730e+02 8.324020328e+02 nan 5.190113193e+02 8.767781849e+02 1.00 nan 5.961711269e+02 nan 1.317081717e+03 1.316935298e+03 4.491308558e+02 7.345251065e+02 nan 4.595223844e+02 7.729194711e+02 1.02 nan 5.270446678e+02 nan 1.153473871e+03 1.153407333e+03 3.916431949e+02 6.436335911e+02 nan 4.042685026e+02 6.760431574e+02 1.04 nan 4.691080033e+02 nan 1.003241716e+03 1.003318775e+03 3.396209313e+02 5.609539843e+02 nan 3.537743523e+02 5.870746004e+02 1.06 nan 4.221226374e+02 nan 8.680939592e+02 8.682754084e+02 2.932335971e+02 4.871069925e+02 7.446964508e+02 3.084157769e+02 5.070329065e+02 1.08 7.485830793e+02 3.847955849e+02 6.357465845e+02 7.487219475e+02 7.489656527e+02 2.524998838e+02 4.225107219e+02 6.415159515e+02 2.683123518e+02 4.362626637e+02 1.10 6.456687004e+02 3.511143182e+02 5.590354807e+02 6.456782186e+02 6.459042041e+02 2.174849538e+02 3.675115435e+02 5.551344012e+02 2.332429164e+02 3.750058169e+02 1.12 5.591083344e+02 3.196711562e+02 4.932729611e+02 5.591088574e+02 5.593002121e+02 1.882884760e+02 3.219592173e+02 4.853659646e+02 2.032045668e+02 3.231389932e+02 1.14 4.886416537e+02 2.906480768e+02 4.382348953e+02 4.887813897e+02 4.890044087e+02 1.648729906e+02 2.851616116e+02 4.318108000e+02 1.781112868e+02 2.806944902e+02 1.16 4.336915754e+02 2.640541165e+02 3.929880769e+02 4.340254707e+02 4.342891917e+02 1.466983068e+02 2.548014893e+02 3.933911728e+02 1.576558828e+02 2.473991085e+02 1.18 3.937666873e+02 2.398262644e+02 3.573622840e+02 3.941438892e+02 3.943716214e+02 1.333399702e+02 2.303550777e+02 3.660975856e+02 1.416136355e+02 2.226475479e+02 1.20 3.674968260e+02 2.178993203e+02 3.307285476e+02 3.678823578e+02 3.680668008e+02 1.243668054e+02 2.115794325e+02 3.432897709e+02 1.296576510e+02 2.056006790e+02 1.22 3.473841613e+02 1.976445178e+02 3.081526215e+02 3.477376082e+02 3.478582019e+02 1.171927871e+02 1.959687213e+02 3.225316963e+02 1.199128782e+02 1.923609974e+02 1.24 3.270882889e+02 1.784280991e+02 2.862199318e+02 3.274015810e+02 3.275597165e+02 1.100394150e+02 1.812393329e+02 3.018415793e+02 1.107057189e+02 1.795661720e+02 1.26 3.069304972e+02 1.606427997e+02 2.649797901e+02 3.070884166e+02 3.072367817e+02 1.029352011e+02 1.673052244e+02 2.814374511e+02 1.020319069e+02 1.672464726e+02 1.28 2.869411906e+02 1.441622242e+02 2.445847984e+02 2.868538255e+02 2.869346910e+02 9.595011463e+01 1.540765734e+02 2.611797734e+02 9.385188711e+01 1.554528534e+02 1.30 2.671314396e+02 1.289362848e+02 2.250783646e+02 2.668565061e+02 2.668404781e+02 8.908536742e+01 1.415231373e+02 2.412974994e+02 8.606579621e+01 1.441171960e+02 1.32 2.474320155e+02 1.148914512e+02 2.063964901e+02 2.471682284e+02 2.470775324e+02 8.228961485e+01 1.296310693e+02 2.217360374e+02 7.866584152e+01 1.331389023e+02 1.34 2.279040520e+02 1.021213327e+02 1.886480431e+02 2.278033097e+02 2.277145912e+02 7.572602463e+01 1.184070311e+02 2.029953807e+02 7.170379218e+01 1.225044329e+02 1.36 2.092493779e+02 9.066533579e+01 1.718056509e+02 2.092423005e+02 2.091517896e+02 6.937568819e+01 1.077547611e+02 1.851540650e+02 6.509731484e+01 1.124310842e+02 1.38 1.914067176e+02 8.035472324e+01 1.558398488e+02 1.914305461e+02 1.913401605e+02 6.316471240e+01 9.771799652e+01 1.682884688e+02 5.883979848e+01 1.028257112e+02 1.40 1.744386883e+02 7.113898156e+01 1.408096997e+02 1.744722385e+02 1.743817953e+02 5.706130062e+01 8.831980777e+01 1.524991112e+02 5.299067735e+01 9.367725153e+01 1.42 1.584996184e+02 6.298097693e+01 1.267398000e+02 1.585010301e+02 1.583963932e+02 5.106502736e+01 7.956747167e+01 1.378425891e+02 4.759868531e+01 8.505048639e+01 1.44 1.436809823e+02 5.573430752e+01 1.138559333e+02 1.436108234e+02 1.434938128e+02 4.547162865e+01 7.150291006e+01 1.242446183e+02 4.271904865e+01 7.694163513e+01 1.46 1.299210893e+02 4.926966525e+01 1.020804228e+02 1.297759642e+02 1.296546785e+02 4.025119293e+01 6.406958977e+01 1.116140367e+02 3.834269850e+01 6.933388145e+01 1.48 1.171041297e+02 4.351674171e+01 9.140635271e+01 1.169400180e+02 1.168478969e+02 3.543105977e+01 5.724373275e+01 9.986299178e+01 3.435205093e+01 6.228274195e+01 1.50 1.051158693e+02 3.844485812e+01 8.178770414e+01 1.050066341e+02 1.049690007e+02 3.104329916e+01 5.104604718e+01 8.898836976e+01 3.063098686e+01 5.580670212e+01 1.52 9.396879460e+01 3.398288696e+01 7.312938808e+01 9.395142491e+01 9.396227674e+01 2.709010133e+01 4.541092359e+01 7.901765026e+01 2.712362796e+01 4.984639544e+01 1.54 8.374326775e+01 3.006624286e+01 6.528909295e+01 8.381657725e+01 8.386452499e+01 2.352784660e+01 4.031111117e+01 7.001855187e+01 2.385233902e+01 4.449961555e+01 1.56 7.441709865e+01 2.665267152e+01 5.814601254e+01 7.456037541e+01 7.463808622e+01 2.030170125e+01 3.571571411e+01 6.195057527e+01 2.083108099e+01 3.970127691e+01 1.58 6.596855016e+01 2.371428486e+01 5.160485603e+01 6.617376733e+01 6.628607247e+01 1.736036619e+01 3.152450925e+01 5.476080158e+01 1.816300317e+01 3.537361578e+01 1.60 5.841215836e+01 2.120728993e+01 4.568256231e+01 5.864562318e+01 5.878806071e+01 1.470565287e+01 2.782073040e+01 4.839132616e+01 1.573854411e+01 3.140657797e+01 1.62 5.171326402e+01 1.904222150e+01 4.042394833e+01 5.192205178e+01 5.209202528e+01 1.234683174e+01 2.453043635e+01 4.276392223e+01 1.355509874e+01 2.772601041e+01 1.64 4.572563633e+01 1.715034855e+01 3.582740475e+01 4.589683414e+01 4.609075656e+01 1.027951238e+01 2.163214348e+01 3.777546027e+01 1.163781098e+01 2.424955380e+01 1.66 4.045127781e+01 1.549451146e+01 3.181840523e+01 4.059173172e+01 4.079909442e+01 8.478810468e+00 1.910181032e+01 3.343162758e+01 9.970626609e+00 2.119019033e+01 1.68 3.582678816e+01 1.403841545e+01 2.832883029e+01 3.593970439e+01 3.613087311e+01 6.914974208e+00 1.690398427e+01 2.965834208e+01 8.492687713e+00 1.849284425e+01 1.70 3.181806204e+01 1.274542391e+01 2.530839278e+01 3.189081564e+01 3.202658435e+01 5.574149644e+00 1.500025471e+01 2.638310109e+01 7.144598543e+00 1.614900204e+01 1.72 2.835379348e+01 1.157153444e+01 2.267751119e+01 2.838079832e+01 2.844463863e+01 4.427073223e+00 1.332581792e+01 2.354803318e+01 5.903638806e+00 1.412597769e+01 1.74 2.532960437e+01 1.048775460e+01 2.035770316e+01 2.531615724e+01 2.531061810e+01 3.438804430e+00 1.188089860e+01 2.107734237e+01 4.775925988e+00 1.236301576e+01 1.76 2.265609932e+01 9.450730473e+00 1.830041197e+01 2.260884723e+01 2.254382501e+01 2.584219053e+00 1.060673869e+01 1.889433202e+01 3.758189068e+00 1.079791921e+01 1.78 2.028584597e+01 8.500811885e+00 1.648150420e+01 2.021193257e+01 2.010542993e+01 1.849333449e+00 9.474910565e+00 1.697717074e+01 2.837258825e+00 9.381143556e+00 1.80 1.818959665e+01 7.611426495e+00 1.487746972e+01 1.810707542e+01 1.798240289e+01 1.216743229e+00 8.464571839e+00 1.530139083e+01 2.003988118e+00 8.082258915e+00 1.82 1.634312784e+01 6.784714309e+00 1.345792307e+01 1.627205078e+01 1.614399363e+01 6.696415396e-01 7.548843903e+00 1.385088392e+01 1.263977916e+00 6.887268614e+00 1.84 1.474915008e+01 6.011964178e+00 1.219107041e+01 1.469080506e+01 1.457213972e+01 1.899017392e-01 6.694026796e+00 1.262106031e+01 6.139202132e-01 5.806701145e+00 1.86 1.340902022e+01 5.287313742e+00 1.104595807e+01 1.335490878e+01 1.325947671e+01 -2.243989037e-01 5.845056103e+00 1.158775265e+01 3.781642353e-02 4.852834093e+00 1.88 1.229073016e+01 4.597269719e+00 1.007638914e+01 1.223530523e+01 1.216909549e+01 -5.746786881e-01 5.043286864e+00 1.069847353e+01 -4.922739837e-01 4.019984029e+00 1.90 1.134055941e+01 3.911788751e+00 9.236412670e+00 1.128396064e+01 1.124542842e+01 -8.672874167e-01 4.256654807e+00 9.910054532e+00 -9.465007173e-01 3.281139576e+00 1.92 1.051511613e+01 3.273778765e+00 8.506276203e+00 1.045704737e+01 1.043576273e+01 -1.143496143e+00 3.506002066e+00 9.189247946e+00 -1.350145803e+00 2.621566140e+00 1.94 9.774601670e+00 2.690763620e+00 7.873510205e+00 9.729136334e+00 9.723041404e+00 -1.459021522e+00 2.819249991e+00 8.512892029e+00 -1.712662487e+00 2.034316526e+00 1.96 9.087484309e+00 2.120526850e+00 7.321548835e+00 9.055080401e+00 9.058346040e+00 -1.688220961e+00 2.204231340e+00 7.868713688e+00 -2.034338151e+00 1.515331110e+00 1.98 8.430116382e+00 1.557046204e+00 6.819779750e+00 8.413203568e+00 8.426891969e+00 -1.854725243e+00 1.644406091e+00 7.239289346e+00 -2.402846213e+00 1.047877326e+00 2.00 7.794021013e+00 1.005700104e+00 6.295816993e+00 7.802373660e+00 7.831599474e+00 -1.995410901e+00 1.127704978e+00 6.621624353e+00 -2.806860340e+00 6.165202323e-01 2.02 7.176901143e+00 4.789171137e-01 5.815912762e+00 7.220080670e+00 7.268826033e+00 -2.139652031e+00 6.361854825e-01 6.021495726e+00 -3.159845300e+00 2.133905942e-01 2.04 6.571965305e+00 -1.502211537e-02 5.313346089e+00 6.659246961e+00 6.734747855e+00 -2.295283776e+00 1.616824132e-01 5.444986960e+00 -3.478182294e+00 -1.678471802e-01 2.06 5.981887672e+00 -4.803215311e-01 4.779928927e+00 6.107106936e+00 6.208138205e+00 -2.456906425e+00 -2.980915142e-01 4.889066237e+00 -3.766813553e+00 -5.273400298e-01 2.08 5.416534678e+00 -9.370552761e-01 4.222941343e+00 5.564380126e+00 5.685225574e+00 -2.623046484e+00 -7.557811768e-01 4.329758531e+00 -4.024000762e+00 -8.674618484e-01 2.10 4.874000622e+00 -1.331969856e+00 3.644329426e+00 5.033370139e+00 5.170089416e+00 -2.811718225e+00 -1.211586367e+00 3.833904381e+00 -4.258867376e+00 -1.202396655e+00 2.12 4.352128076e+00 -1.706881115e+00 3.053204375e+00 4.517869526e+00 4.669187943e+00 -3.019756584e+00 -1.647925671e+00 3.372582573e+00 -4.474870666e+00 -1.534373164e+00 2.14 3.826905482e+00 -2.064834475e+00 2.445292141e+00 4.000102063e+00 4.165866819e+00 -3.243074997e+00 -2.060571525e+00 2.927642674e+00 -4.673575976e+00 -1.865233145e+00 2.16 3.329578854e+00 -2.407301668e+00 1.847406711e+00 3.507937467e+00 3.680805835e+00 -3.462754341e+00 -2.468396663e+00 2.501016190e+00 -4.845817102e+00 -2.170147334e+00 2.18 2.904645236e+00 -2.737585214e+00 1.289224849e+00 3.075082975e+00 3.241145734e+00 -3.655744008e+00 -3.018805481e+00 2.094352400e+00 -4.988535603e+00 -2.425679310e+00 2.20 2.531267256e+00 -3.138993157e+00 7.595409533e-01 2.675010612e+00 2.817563087e+00 -3.823782823e+00 -3.488452527e+00 1.679597779e+00 -5.118765802e+00 -2.846359065e+00 2.22 2.188274181e+00 -3.709365217e+00 2.537947820e-01 2.291939794e+00 2.399890791e+00 -3.979220343e+00 -3.905034727e+00 1.239693829e+00 -5.243583732e+00 -3.217978453e+00 2.24 1.837603350e+00 -4.264405166e+00 -2.339508894e-01 1.897452172e+00 1.967370014e+00 -4.131438783e+00 -4.275629924e+00 7.084852613e-01 -5.367396368e+00 -3.560234978e+00 2.26 1.442819488e+00 -4.774774893e+00 -7.065019527e-01 1.466744935e+00 1.504765961e+00 -4.284290769e+00 -4.610516005e+00 2.039390825e-01 -5.493605484e+00 -3.888883210e+00 2.28 9.812954658e-01 -5.214405183e+00 -1.165156969e+00 9.788612625e-01 9.899002354e-01 -4.433449457e+00 -4.906684533e+00 -3.293370546e-01 -5.614849229e+00 -4.193115243e+00 2.30 4.589759206e-01 -5.595620348e+00 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