# 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 = SNAP_ThompsonSwilerTrott_2015_Ta__MO_359768485367_000 # 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 -1.764986063e+04 nan nan nan nan 0.78 nan nan nan nan nan -1.350184359e+04 nan nan nan nan 0.80 nan nan nan nan nan -1.040144222e+04 nan nan -1.738535300e+04 nan 0.82 nan nan nan nan nan -8.029297610e+03 nan nan -1.359745046e+04 nan 0.84 nan nan nan nan nan -6.191688631e+03 nan nan -1.065969040e+04 nan 0.86 nan nan nan nan nan -4.767313210e+03 nan nan -8.361130286e+03 nan 0.88 nan -1.799387006e+04 nan nan nan -3.664754627e+03 -1.871989972e+04 nan -6.561745917e+03 -1.778068930e+04 0.90 nan -1.440695638e+04 nan nan nan -2.815217178e+03 -1.496302248e+04 nan -5.148420565e+03 -1.422382163e+04 0.92 nan -1.155965103e+04 nan nan nan -2.155734275e+03 -1.199912382e+04 nan -4.041317122e+03 -1.143191557e+04 0.94 nan -9.308290042e+03 nan nan nan -1.644360166e+03 -9.661675755e+03 nan -3.174073858e+03 -9.202255979e+03 0.96 nan -7.509533164e+03 -1.809125667e+04 nan nan -1.247230562e+03 -7.813063946e+03 nan -2.493187063e+03 -7.396840634e+03 0.98 -1.949118613e+04 -6.064867532e+03 -1.475360846e+04 -1.947671832e+04 -1.946874254e+04 -9.322034122e+02 -6.325438838e+03 -1.604045823e+04 -1.956808613e+03 -5.935111632e+03 1.00 -1.594849158e+04 -4.898841920e+03 -1.205202376e+04 -1.597294402e+04 -1.597704711e+04 -6.840644658e+02 -5.109605928e+03 -1.311380284e+04 -1.531953293e+03 -4.766849446e+03 1.02 -1.308296597e+04 -3.967919469e+03 -9.844593602e+03 -1.312023627e+04 -1.313495366e+04 -4.902599843e+02 -4.122306782e+03 -1.074449052e+04 -1.195349901e+03 -3.838739599e+03 1.04 -1.076229736e+04 -3.216644158e+03 -8.059154298e+03 -1.079307554e+04 -1.080727978e+04 -3.403365514e+02 -3.324822933e+03 -8.827222154e+03 -9.290905895e+02 -3.096351771e+03 1.06 -8.878348209e+03 -2.610519217e+03 -6.630680854e+03 -8.892227903e+03 -8.899322967e+03 -2.262072181e+02 -2.682911679e+03 -7.273039974e+03 -7.175659176e+02 -2.497429506e+03 1.08 -7.352156946e+03 -2.116923571e+03 -5.471593049e+03 -7.344336679e+03 -7.344105522e+03 -1.389008301e+02 -2.164613345e+03 -6.009851225e+03 -5.484319378e+02 -2.014272671e+03 1.10 -6.095742004e+03 -1.711379653e+03 -4.522388589e+03 -6.079004545e+03 -6.074598768e+03 -7.166696995e+01 -1.744664733e+03 -4.969656111e+03 -4.110909099e+02 -1.624550810e+03 1.12 -5.057340197e+03 -1.382430078e+03 -3.740027745e+03 -5.040966506e+03 -5.033643805e+03 -1.833968441e+01 -1.406620046e+03 -4.110915308e+03 -3.008387254e+02 -1.310173533e+03 1.14 -4.198445788e+03 -1.116329849e+03 -3.098672363e+03 -4.183140118e+03 -4.174128093e+03 2.231971382e+01 -1.134079627e+03 -3.397854078e+03 -2.139312373e+02 -1.054980877e+03 1.16 -3.480252514e+03 -8.974923836e+02 -2.559210781e+03 -3.470496569e+03 -3.462950457e+03 5.370213954e+01 -9.145396435e+02 -2.804008809e+03 -1.461610518e+02 -8.427863643e+02 1.18 -2.881060169e+03 -7.192038019e+02 -2.105665765e+03 -2.878976253e+03 -2.875840140e+03 7.742870557e+01 -7.353452383e+02 -2.309793967e+03 -9.445575494e+01 -6.658239681e+02 1.20 -2.384271316e+03 -5.748170616e+02 -1.727768393e+03 -2.388926464e+03 -2.390334066e+03 9.464013971e+01 -5.867139436e+02 -1.902420154e+03 -5.438688289e+01 -5.199509291e+02 1.22 -1.974326356e+03 -4.554830709e+02 -1.417137861e+03 -1.981960079e+03 -1.985991179e+03 1.057029363e+02 -4.628032626e+02 -1.567020990e+03 -2.340146208e+01 -4.020998300e+02 1.24 -1.630982083e+03 -3.572134979e+02 -1.162691350e+03 -1.641427798e+03 -1.646921697e+03 1.110377891e+02 -3.606644235e+02 -1.289823695e+03 1.993149516e-01 -3.090363364e+02 1.26 -1.345948583e+03 -2.777348164e+02 -9.513818025e+02 -1.356165019e+03 -1.361428842e+03 1.119339465e+02 -2.779221405e+02 -1.061736896e+03 1.801434248e+01 -2.366369479e+02 1.28 -1.111765762e+03 -2.146924376e+02 -7.767532681e+02 -1.118923890e+03 -1.122853094e+03 1.091826675e+02 -2.108341500e+02 -8.739116848e+02 3.161486282e+01 -1.777433912e+02 1.30 -9.215178048e+02 -1.638249152e+02 -6.324448169e+02 -9.224045056e+02 -9.243704122e+02 1.041179384e+02 -1.569110494e+02 -7.190672949e+02 4.176860239e+01 -1.300573022e+02 1.32 -7.628586064e+02 -1.218141959e+02 -5.129142539e+02 -7.587009422e+02 -7.588585759e+02 9.798075555e+01 -1.138736197e+02 -5.892889315e+02 4.896302249e+01 -9.082741000e+01 1.34 -6.284845095e+02 -8.747796861e+01 -4.151418801e+02 -6.223670712e+02 -6.211562808e+02 9.095372611e+01 -7.951962680e+01 -4.803419196e+02 5.392026710e+01 -5.844970376e+01 1.36 -5.155398573e+02 -5.991818083e+01 -3.365725414e+02 -5.090476499e+02 -5.068560299e+02 8.324892306e+01 -5.231966549e+01 -3.888649010e+02 5.694540082e+01 -3.216371879e+01 1.38 -4.196315489e+02 -3.799257262e+01 -2.728450924e+02 -4.146820246e+02 -4.121834337e+02 7.526065084e+01 -2.995637347e+01 -3.125434440e+02 5.824213948e+01 -1.091255679e+01 1.40 -3.388600507e+02 -2.060427099e+01 -2.186768816e+02 -3.356715918e+02 -3.330306578e+02 6.789373036e+01 -1.125921691e+01 -2.487867451e+02 5.836621271e+01 5.973137938e+00 1.42 -2.715556818e+02 -6.312011382e+00 -1.724719275e+02 -2.697409694e+02 -2.670689537e+02 6.118771399e+01 4.021208348e+00 -1.953688964e+02 5.752323774e+01 1.915715891e+01 1.44 -2.147694704e+02 5.567329385e+00 -1.333257476e+02 -2.145529472e+02 -2.121986926e+02 5.508227666e+01 1.622422778e+01 -1.507054677e+02 5.572968813e+01 2.968274203e+01 1.46 -1.673838191e+02 1.524831681e+01 -9.982606805e+01 -1.688153081e+02 -1.671268877e+02 4.968898683e+01 2.576391205e+01 -1.139857659e+02 5.323797175e+01 3.780248022e+01 1.48 -1.285849676e+02 2.292416813e+01 -7.142089229e+01 -1.309961372e+02 -1.303138301e+02 4.486870170e+01 3.318684288e+01 -8.420357860e+01 5.046707579e+01 4.357832718e+01 1.50 -9.662783088e+01 2.881173599e+01 -4.781546645e+01 -9.966556634e+01 -1.002928263e+02 4.046825457e+01 3.887574867e+01 -5.982337568e+01 4.766116795e+01 4.746171527e+01 1.52 -7.020093134e+01 3.312745006e+01 -2.866755602e+01 -7.363518633e+01 -7.552609964e+01 3.639925353e+01 4.297140284e+01 -3.987573535e+01 4.497730177e+01 4.981598566e+01 1.54 -4.879266787e+01 3.627959856e+01 -1.354276583e+01 -5.190247134e+01 -5.442994177e+01 3.262865524e+01 4.578098588e+01 -2.362533789e+01 4.239092889e+01 5.063731379e+01 1.56 -3.185619334e+01 3.856518291e+01 -1.926685090e+00 -3.402050707e+01 -3.659584159e+01 2.915406080e+01 4.736454052e+01 -1.057853205e+01 3.985864355e+01 4.991398747e+01 1.58 -1.795976592e+01 4.012462621e+01 7.342605597e+00 -1.912037852e+01 -2.137398833e+01 2.600561782e+01 4.774115712e+01 1.952266516e-01 3.737992210e+01 4.827908972e+01 1.60 -6.141512749e+00 4.100903537e+01 1.498718245e+01 -6.609552977e+00 -8.337708517e+00 2.317042384e+01 4.705155907e+01 9.106313427e+00 3.500075510e+01 4.634906100e+01 1.62 3.728860557e+00 4.122033391e+01 2.113539027e+01 3.680101644e+00 2.600574470e+00 2.060619797e+01 4.543317277e+01 1.631672789e+01 3.266014770e+01 4.424233208e+01 1.64 1.180382110e+01 4.077000016e+01 2.596056181e+01 1.212463823e+01 1.174678246e+01 1.827264561e+01 4.310463656e+01 2.202896317e+01 3.037057009e+01 4.204575662e+01 1.66 1.828120637e+01 3.967677855e+01 2.968063357e+01 1.903590144e+01 1.933598574e+01 1.612620662e+01 4.038912590e+01 2.646545363e+01 2.808679280e+01 3.984598935e+01 1.68 2.346156234e+01 3.806971351e+01 3.272048417e+01 2.457725055e+01 2.541907482e+01 1.416941337e+01 3.757054060e+01 2.986869946e+01 2.576202116e+01 3.797926698e+01 1.70 2.754636641e+01 3.598785438e+01 3.520077592e+01 2.889986767e+01 3.011926266e+01 1.239220800e+01 3.474297981e+01 3.237717748e+01 2.338161868e+01 3.650796365e+01 1.72 3.068433178e+01 3.346974350e+01 3.715043975e+01 3.215282748e+01 3.360624074e+01 1.077534271e+01 3.197553621e+01 3.415751532e+01 2.095791990e+01 3.534289119e+01 1.74 3.297661737e+01 3.068225681e+01 3.859208115e+01 3.448423481e+01 3.606948105e+01 9.302030670e+00 2.938559720e+01 3.532704622e+01 1.852738648e+01 3.435719019e+01 1.76 3.445296720e+01 2.783985187e+01 3.952216764e+01 3.603229728e+01 3.769040038e+01 7.956101302e+00 2.701988298e+01 3.599682337e+01 1.614312708e+01 3.340931538e+01 1.78 3.520717120e+01 2.508170852e+01 3.989769313e+01 3.689966737e+01 3.858721237e+01 6.720903046e+00 2.487323588e+01 3.634344464e+01 1.385494208e+01 3.236647141e+01 1.80 3.573463948e+01 2.244362883e+01 3.963282187e+01 3.738256703e+01 3.897332068e+01 5.578723344e+00 2.292353201e+01 3.646234864e+01 1.167268427e+01 3.112435040e+01 1.82 3.607832451e+01 1.994478871e+01 3.863171939e+01 3.750437250e+01 3.887007777e+01 4.510751511e+00 2.113811148e+01 3.632484892e+01 9.603644198e+00 2.962000976e+01 1.84 3.621524130e+01 1.759014576e+01 3.699402671e+01 3.729829860e+01 3.836712391e+01 3.497487819e+00 1.952054479e+01 3.590132771e+01 7.660616010e+00 2.783595389e+01 1.86 3.611499758e+01 1.537365856e+01 3.472648754e+01 3.675635230e+01 3.747751904e+01 2.519671289e+00 1.806126619e+01 3.516658472e+01 5.847554407e+00 2.579578548e+01 1.88 3.574623092e+01 1.328204699e+01 3.202951721e+01 3.590751833e+01 3.623594360e+01 1.592994582e+00 1.676846499e+01 3.411605561e+01 4.168280482e+00 2.355357921e+01 1.90 3.508194456e+01 1.129855305e+01 2.912876084e+01 3.477228104e+01 3.467182733e+01 7.313010704e-01 1.555015818e+01 3.282731840e+01 2.624839781e+00 2.117977984e+01 1.92 3.411917181e+01 9.406393264e+00 2.612150344e+01 3.335342963e+01 3.279919171e+01 -7.283293626e-02 1.431620612e+01 3.131255814e+01 1.215672218e+00 1.875670837e+01 1.94 3.292804429e+01 7.591634313e+00 2.309555240e+01 3.170733076e+01 3.068421936e+01 -8.260823972e-01 1.299903016e+01 2.957359260e+01 -6.218816697e-02 1.637838402e+01 1.96 3.151255660e+01 5.845261952e+00 2.012666652e+01 2.984497013e+01 2.835106842e+01 -1.534296427e+00 1.156024112e+01 2.761845985e+01 -1.214464173e+00 1.406589670e+01 1.98 2.987198098e+01 4.164257923e+00 1.727699054e+01 2.779717206e+01 2.586660568e+01 -2.202591583e+00 9.992277863e+00 2.546104840e+01 -2.248848115e+00 1.183726631e+01 2.00 2.801257436e+01 2.553484028e+00 1.459469171e+01 2.563131451e+01 2.336482082e+01 -2.835346289e+00 8.315213167e+00 2.315493566e+01 -3.176998302e+00 9.713041347e+00 2.02 2.594682960e+01 1.047818074e+00 1.211426420e+01 2.336865241e+01 2.087850120e+01 -3.436200344e+00 6.569730439e+00 2.077770646e+01 -4.007753729e+00 7.712098142e+00 2.04 2.369250014e+01 -3.420710378e-01 9.882340114e+00 2.102921248e+01 1.843163365e+01 -3.999782597e+00 4.808042899e+00 1.834988637e+01 -4.748354401e+00 5.848378044e+00 2.06 2.127147439e+01 -1.590868448e+00 7.962984693e+00 1.863346967e+01 1.604404690e+01 -4.508284961e+00 3.082269157e+00 1.589255822e+01 -5.409234972e+00 4.128776591e+00 2.08 1.870873230e+01 -2.676300622e+00 6.340932443e+00 1.620201477e+01 1.373198244e+01 -4.963127290e+00 1.431589621e+00 1.342841325e+01 -6.000322085e+00 2.552239327e+00 2.10 1.605306384e+01 -3.609481577e+00 4.982391869e+00 1.377269142e+01 1.152174522e+01 -5.367278406e+00 -1.108121120e-01 1.103000610e+01 -6.529893010e+00 1.110527214e+00 2.12 1.350345568e+01 -4.393082631e+00 3.842435825e+00 1.150097824e+01 9.523609973e+00 -5.724259700e+00 -1.519517129e+00 8.798091679e+00 -7.006062758e+00 -2.018418858e-01 2.14 1.111665304e+01 -5.050478407e+00 2.870033164e+00 9.423767477e+00 7.754021431e+00 -6.038176489e+00 -2.782317496e+00 6.748178797e+00 -7.429544115e+00 -1.388989659e+00 2.16 8.903858435e+00 -5.609884742e+00 2.013242652e+00 7.538934560e+00 6.197090268e+00 -6.313674100e+00 -3.902393451e+00 4.877795070e+00 -7.803550143e+00 -2.456729758e+00 2.18 6.869224826e+00 -6.098410228e+00 1.224139261e+00 5.837219732e+00 4.829658759e+00 -6.555789137e+00 -4.890106054e+00 3.180172427e+00 -8.133628120e+00 -3.411664066e+00 2.20 5.011079717e+00 -6.540316814e+00 4.628806197e-01 4.304120294e+00 3.623927863e+00 -6.769761327e+00 -5.754229778e+00 1.645609624e+00 -8.424913908e+00 -4.261054554e+00 2.22 3.323173736e+00 -6.955551898e+00 -2.994695520e-01 2.921799585e+00 2.550071103e+00 -6.960819674e+00 -6.504875045e+00 2.627239417e-01 -8.682053617e+00 -5.012787769e+00 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