# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Thompson-A-P-Swiler-L-P-Trott-C-R-et-al--Ta # implementation = 2015--Thompson-A-P--Ta--LAMMPS--ipr2 # 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 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 -1.764986074e+04 nan nan nan nan 0.78 nan nan nan nan nan -1.350184369e+04 nan nan nan nan 0.80 nan nan nan nan nan -1.040144231e+04 nan nan -1.738535309e+04 nan 0.82 nan nan nan nan nan -8.029297688e+03 nan nan -1.359745055e+04 nan 0.84 nan nan nan nan nan -6.191688700e+03 nan nan -1.065969047e+04 nan 0.86 nan nan nan nan nan -4.767313273e+03 nan nan -8.361130355e+03 nan 0.88 nan -1.799387015e+04 nan nan nan -3.664754683e+03 -1.871989981e+04 nan -6.561745979e+03 -1.778068939e+04 0.90 nan -1.440695646e+04 nan nan nan -2.815217228e+03 -1.496302257e+04 nan -5.148420620e+03 -1.422382171e+04 0.92 nan -1.155965111e+04 nan nan nan -2.155734320e+03 -1.199912390e+04 nan -4.041317172e+03 -1.143191565e+04 0.94 nan -9.308290106e+03 nan nan nan -1.644360207e+03 -9.661675823e+03 nan -3.174073903e+03 -9.202256047e+03 0.96 nan -7.509533222e+03 -1.809125676e+04 nan nan -1.247230599e+03 -7.813064007e+03 nan -2.493187103e+03 -7.396840695e+03 0.98 -1.949118622e+04 -6.064867584e+03 -1.475360854e+04 -1.947671841e+04 -1.946874263e+04 -9.322034455e+02 -6.325438893e+03 -1.604045831e+04 -1.956808649e+03 -5.935111688e+03 1.00 -1.594849166e+04 -4.898841968e+03 -1.205202383e+04 -1.597294410e+04 -1.597704720e+04 -6.840644960e+02 -5.109605978e+03 -1.311380292e+04 -1.531953326e+03 -4.766849497e+03 1.02 -1.308296604e+04 -3.967919512e+03 -9.844593667e+03 -1.312023635e+04 -1.313495373e+04 -4.902600117e+02 -4.122306827e+03 -1.074449059e+04 -1.195349931e+03 -3.838739645e+03 1.04 -1.076229742e+04 -3.216644197e+03 -8.059154358e+03 -1.079307561e+04 -1.080727985e+04 -3.403365763e+02 -3.324822975e+03 -8.827222216e+03 -9.290906165e+02 -3.096351813e+03 1.06 -8.878348272e+03 -2.610519253e+03 -6.630680908e+03 -8.892227966e+03 -8.899323029e+03 -2.262072408e+02 -2.682911716e+03 -7.273040030e+03 -7.175659421e+02 -2.497429544e+03 1.08 -7.352157003e+03 -2.116923603e+03 -5.471593098e+03 -7.344336736e+03 -7.344105578e+03 -1.389008507e+02 -2.164613379e+03 -6.009851277e+03 -5.484319601e+02 -2.014272705e+03 1.10 -6.095742056e+03 -1.711379682e+03 -4.522388634e+03 -6.079004597e+03 -6.074598820e+03 -7.166698875e+01 -1.744664764e+03 -4.969656159e+03 -4.110909302e+02 -1.624550841e+03 1.12 -5.057340245e+03 -1.382430105e+03 -3.740027787e+03 -5.040966554e+03 -5.033643853e+03 -1.833970155e+01 -1.406620074e+03 -4.110915351e+03 -3.008387438e+02 -1.310173562e+03 1.14 -4.198445831e+03 -1.116329874e+03 -3.098672401e+03 -4.183140161e+03 -4.174128136e+03 2.231969816e+01 -1.134079653e+03 -3.397854118e+03 -2.139312541e+02 -1.054980903e+03 1.16 -3.480252554e+03 -8.974924058e+02 -2.559210816e+03 -3.470496609e+03 -3.462950497e+03 5.370212522e+01 -9.145396672e+02 -2.804008845e+03 -1.461610672e+02 -8.427863882e+02 1.18 -2.881060206e+03 -7.192038222e+02 -2.105665796e+03 -2.878976290e+03 -2.875840176e+03 7.742869246e+01 -7.353452600e+02 -2.309794000e+03 -9.445576896e+01 -6.658239900e+02 1.20 -2.384271349e+03 -5.748170802e+02 -1.727768422e+03 -2.388926498e+03 -2.390334099e+03 9.464012771e+01 -5.867139634e+02 -1.902420185e+03 -5.438689572e+01 -5.199509492e+02 1.22 -1.974326387e+03 -4.554830879e+02 -1.417137888e+03 -1.981960110e+03 -1.985991210e+03 1.057029253e+02 -4.628032808e+02 -1.567021018e+03 -2.340147382e+01 -4.020998484e+02 1.24 -1.630982111e+03 -3.572135135e+02 -1.162691375e+03 -1.641427826e+03 -1.646921726e+03 1.110377790e+02 -3.606644402e+02 -1.289823720e+03 1.993041935e-01 -3.090363532e+02 1.26 -1.345948609e+03 -2.777348307e+02 -9.513818250e+02 -1.356165045e+03 -1.361428868e+03 1.119339372e+02 -2.779221558e+02 -1.061736920e+03 1.801433262e+01 -2.366369634e+02 1.28 -1.111765786e+03 -2.146924507e+02 -7.767532887e+02 -1.118923914e+03 -1.122853118e+03 1.091826589e+02 -2.108341640e+02 -8.739117064e+02 3.161485377e+01 -1.777434055e+02 1.30 -9.215178269e+02 -1.638249273e+02 -6.324448359e+02 -9.224045277e+02 -9.243704343e+02 1.041179305e+02 -1.569110623e+02 -7.190673148e+02 4.176859407e+01 -1.300573153e+02 1.32 -7.628586268e+02 -1.218142069e+02 -5.129142714e+02 -7.587009626e+02 -7.588585962e+02 9.798074833e+01 -1.138736316e+02 -5.892889499e+02 4.896301484e+01 -9.082742207e+01 1.34 -6.284845283e+02 -8.747797880e+01 -4.151418963e+02 -6.223670900e+02 -6.211562996e+02 9.095371945e+01 -7.951963779e+01 -4.803419366e+02 5.392026006e+01 -5.844971488e+01 1.36 -5.155398747e+02 -5.991819020e+01 -3.365725564e+02 -5.090476672e+02 -5.068560472e+02 8.324891692e+01 -5.231967561e+01 -3.888649167e+02 5.694539434e+01 -3.216372905e+01 1.38 -4.196315650e+02 -3.799258126e+01 -2.728451062e+02 -4.146820406e+02 -4.121834498e+02 7.526064518e+01 -2.995638282e+01 -3.125434584e+02 5.824213351e+01 -1.091256626e+01 1.40 -3.388600655e+02 -2.060427897e+01 -2.186768944e+02 -3.356716067e+02 -3.330306726e+02 6.789372513e+01 -1.125922554e+01 -2.487867585e+02 5.836620720e+01 5.973129190e+00 1.42 -2.715556956e+02 -6.312018742e+00 -1.724719393e+02 -2.697409831e+02 -2.670689675e+02 6.118770915e+01 4.021200379e+00 -1.953689088e+02 5.752323266e+01 1.915715082e+01 1.44 -2.147694831e+02 5.567322586e+00 -1.333257586e+02 -2.145529599e+02 -2.121987053e+02 5.508227218e+01 1.622422042e+01 -1.507054792e+02 5.572968344e+01 2.968273455e+01 1.46 -1.673838310e+02 1.524831053e+01 -9.982607818e+01 -1.688153200e+02 -1.671268995e+02 4.968898269e+01 2.576390524e+01 -1.139857765e+02 5.323796741e+01 3.780247329e+01 1.48 -1.285849786e+02 2.292416232e+01 -7.142090168e+01 -1.309961482e+02 -1.303138410e+02 4.486869786e+01 3.318683657e+01 -8.420358844e+01 5.046707178e+01 4.357832076e+01 1.50 -9.662784106e+01 2.881173061e+01 -4.781547517e+01 -9.966557652e+01 -1.002928365e+02 4.046825102e+01 3.887574282e+01 -5.982338481e+01 4.766116423e+01 4.746170933e+01 1.52 -7.020094080e+01 3.312744508e+01 -2.866756411e+01 -7.363519579e+01 -7.552610910e+01 3.639925022e+01 4.297139741e+01 -3.987574383e+01 4.497729833e+01 4.981598014e+01 1.54 -4.879267666e+01 3.627959395e+01 -1.354277334e+01 -5.190248013e+01 -5.442995056e+01 3.262865217e+01 4.578098085e+01 -2.362534577e+01 4.239092570e+01 5.063730867e+01 1.56 -3.185620152e+01 3.856517863e+01 -1.926692072e+00 -3.402051524e+01 -3.659584977e+01 2.915405796e+01 4.736453586e+01 -1.057853938e+01 3.985864060e+01 4.991398272e+01 1.58 -1.795977353e+01 4.012462224e+01 7.342599105e+00 -1.912038613e+01 -2.137399594e+01 2.600561517e+01 4.774115279e+01 1.952198417e-01 3.737991936e+01 4.827908531e+01 1.60 -6.141519833e+00 4.100903169e+01 1.498717641e+01 -6.609560061e+00 -8.337715602e+00 2.317042139e+01 4.705155505e+01 9.106307090e+00 3.500075255e+01 4.634905690e+01 1.62 3.728853958e+00 4.122033049e+01 2.113538465e+01 3.680095045e+00 2.600567870e+00 2.060619568e+01 4.543316902e+01 1.631672199e+01 3.266014534e+01 4.424232826e+01 1.64 1.180381494e+01 4.076999698e+01 2.596055657e+01 1.212463208e+01 1.174677630e+01 1.827264348e+01 4.310463307e+01 2.202895768e+01 3.037056789e+01 4.204575307e+01 1.66 1.828120064e+01 3.967677559e+01 2.968062869e+01 1.903589571e+01 1.933598000e+01 1.612620464e+01 4.038912265e+01 2.646544851e+01 2.808679076e+01 3.984598604e+01 1.68 2.346155699e+01 3.806971076e+01 3.272047962e+01 2.457724520e+01 2.541906947e+01 1.416941152e+01 3.757053759e+01 2.986869468e+01 2.576201926e+01 3.797926390e+01 1.70 2.754636141e+01 3.598785182e+01 3.520077168e+01 2.889986268e+01 3.011925766e+01 1.239220627e+01 3.474297699e+01 3.237717302e+01 2.338161691e+01 3.650796078e+01 1.72 3.068432711e+01 3.346974112e+01 3.715043579e+01 3.215282281e+01 3.360623608e+01 1.077534111e+01 3.197553359e+01 3.415751116e+01 2.095791826e+01 3.534288852e+01 1.74 3.297661301e+01 3.068225459e+01 3.859207745e+01 3.448423045e+01 3.606947669e+01 9.302029170e+00 2.938559475e+01 3.532704233e+01 1.852738495e+01 3.435718769e+01 1.76 3.445296312e+01 2.783984980e+01 3.952216419e+01 3.603229320e+01 3.769039630e+01 7.956099901e+00 2.701988070e+01 3.599681973e+01 1.614312566e+01 3.340931305e+01 1.78 3.520716739e+01 2.508170659e+01 3.989768990e+01 3.689966356e+01 3.858720855e+01 6.720901737e+00 2.487323376e+01 3.634344124e+01 1.385494075e+01 3.236646923e+01 1.80 3.573463591e+01 2.244362703e+01 3.963281885e+01 3.738256346e+01 3.897331711e+01 5.578722121e+00 2.292353002e+01 3.646234547e+01 1.167268303e+01 3.112434837e+01 1.82 3.607832117e+01 1.994478704e+01 3.863171656e+01 3.750436916e+01 3.887007443e+01 4.510750368e+00 2.113810963e+01 3.632484595e+01 9.603643039e+00 2.962000786e+01 1.84 3.621523817e+01 1.759014420e+01 3.699402407e+01 3.729829547e+01 3.836712079e+01 3.497486750e+00 1.952054306e+01 3.590132493e+01 7.660614928e+00 2.783595211e+01 1.86 3.611499465e+01 1.537365710e+01 3.472648507e+01 3.675634937e+01 3.747751611e+01 2.519670288e+00 1.806126457e+01 3.516658211e+01 5.847553397e+00 2.579578382e+01 1.88 3.574622817e+01 1.328204563e+01 3.202951490e+01 3.590751558e+01 3.623594085e+01 1.592993645e+00 1.676846347e+01 3.411605318e+01 4.168279538e+00 2.355357765e+01 1.90 3.508194198e+01 1.129855177e+01 2.912875867e+01 3.477227847e+01 3.467182476e+01 7.313001931e-01 1.555015677e+01 3.282731611e+01 2.624838899e+00 2.117977838e+01 1.92 3.411916940e+01 9.406392073e+00 2.612150140e+01 3.335342722e+01 3.279918930e+01 -7.283375819e-02 1.431620479e+01 3.131255600e+01 1.215671393e+00 1.875670700e+01 1.94 3.292804203e+01 7.591633200e+00 2.309555049e+01 3.170732850e+01 3.068421710e+01 -8.260831675e-01 1.299902892e+01 2.957359059e+01 -6.218893842e-02 1.637838274e+01 1.96 3.151255448e+01 5.845260911e+00 2.012666473e+01 2.984496800e+01 2.835106630e+01 -1.534297149e+00 1.156023996e+01 2.761845797e+01 -1.214464895e+00 1.406589551e+01 1.98 2.987197898e+01 4.164256949e+00 1.727698886e+01 2.779717006e+01 2.586660369e+01 -2.202592260e+00 9.992276775e+00 2.546104663e+01 -2.248848791e+00 1.183726519e+01 2.00 2.801257248e+01 2.553483117e+00 1.459469014e+01 2.563131264e+01 2.336481894e+01 -2.835346924e+00 8.315212148e+00 2.315493401e+01 -3.176998934e+00 9.713040296e+00 2.02 2.594682784e+01 1.047817221e+00 1.211426272e+01 2.336865065e+01 2.087849944e+01 -3.436200940e+00 6.569729484e+00 2.077770491e+01 -4.007754321e+00 7.712097156e+00 2.04 2.369249849e+01 -3.420718359e-01 9.882338728e+00 2.102921082e+01 1.843163200e+01 -3.999783157e+00 4.808042003e+00 1.834988491e+01 -4.748354956e+00 5.848377119e+00 2.06 2.127147284e+01 -1.590869196e+00 7.962983391e+00 1.863346812e+01 1.604404534e+01 -4.508285487e+00 3.082268317e+00 1.589255685e+01 -5.409235492e+00 4.128775723e+00 2.08 1.870873084e+01 -2.676301322e+00 6.340931220e+00 1.620201331e+01 1.373198098e+01 -4.963127783e+00 1.431588834e+00 1.342841196e+01 -6.000322572e+00 2.552238513e+00 2.10 1.605306247e+01 -3.609482232e+00 4.982390721e+00 1.377269005e+01 1.152174384e+01 -5.367278870e+00 -1.108128510e-01 1.103000489e+01 -6.529893467e+00 1.110526449e+00 2.12 1.350345439e+01 -4.393083245e+00 3.842434746e+00 1.150097695e+01 9.523608680e+00 -5.724260135e+00 -1.519517822e+00 8.798090540e+00 -7.006063186e+00 -2.018426047e-01 2.14 1.111665182e+01 -5.050478983e+00 2.870032150e+00 9.423766260e+00 7.754020214e+00 -6.038176898e+00 -2.782318147e+00 6.748177726e+00 -7.429544516e+00 -1.388990334e+00 2.16 8.903857290e+00 -5.609885282e+00 2.013241698e+00 7.538933415e+00 6.197089123e+00 -6.313674485e+00 -3.902394063e+00 4.877794062e+00 -7.803550520e+00 -2.456730393e+00 2.18 6.869223748e+00 -6.098410734e+00 1.224138364e+00 5.837218654e+00 4.829657681e+00 -6.555789499e+00 -4.890106628e+00 3.180171479e+00 -8.133628474e+00 -3.411664663e+00 2.20 5.011078702e+00 -6.540317288e+00 4.628797760e-01 4.304119279e+00 3.623926848e+00 -6.769761668e+00 -5.754230318e+00 1.645608732e+00 -8.424914240e+00 -4.261055115e+00 2.22 3.323172780e+00 -6.955552343e+00 -2.994703458e-01 2.921798629e+00 2.550070147e+00 -6.960819994e+00 -6.504875552e+00 2.627231023e-01 -8.682053929e+00 -5.012788297e+00 2.24 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