# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Na # implementation = 2016--Nichol-A--Na--LAMMPS--ipr1 # composition = Na # 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 2024-11-27 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 5.612765247e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.030768553e+02 nan 0.76 nan nan nan nan nan 3.958339440e+02 nan nan 4.518988989e+02 nan 0.78 nan nan nan nan nan 3.562799518e+02 nan nan 4.063875938e+02 nan 0.80 nan nan nan nan nan 3.216175026e+02 nan nan 3.662622821e+02 nan 0.82 nan nan nan nan nan 2.910358038e+02 nan nan 3.309118259e+02 nan 0.84 nan nan nan nan nan 2.632015405e+02 nan nan 2.991962905e+02 nan 0.86 nan nan nan nan nan 2.386659093e+02 nan nan 2.708750685e+02 nan 0.88 nan nan nan 5.634291655e+02 5.633987876e+02 2.167818607e+02 nan nan 2.458362749e+02 3.610695470e+02 0.90 nan 3.198268398e+02 nan 5.141392781e+02 5.141167787e+02 1.971330300e+02 3.311734530e+02 nan 2.234229453e+02 3.285767880e+02 0.92 nan 2.914699067e+02 nan 4.702489066e+02 4.702544530e+02 1.795535297e+02 3.019156863e+02 nan 2.032918639e+02 2.996197760e+02 0.94 nan 2.657831499e+02 nan 4.308573558e+02 4.309109983e+02 1.638599675e+02 2.757483333e+02 nan 1.854020634e+02 2.736751154e+02 0.96 nan 2.427433862e+02 nan 3.947165412e+02 3.947760655e+02 1.495382730e+02 2.518578396e+02 nan 1.691286935e+02 2.501141456e+02 0.98 nan 2.219287840e+02 nan 3.620638471e+02 3.620958249e+02 1.366047044e+02 2.303193741e+02 3.335428402e+02 1.544162226e+02 2.290211122e+02 1.00 3.325713141e+02 2.031358761e+02 2.950240654e+02 3.325308678e+02 3.325202212e+02 1.250162026e+02 2.109218691e+02 3.061080269e+02 1.411124313e+02 2.099927158e+02 1.02 3.057155134e+02 1.861056682e+02 2.710382948e+02 3.055829237e+02 3.055480815e+02 1.145370609e+02 1.934681055e+02 2.815209291e+02 1.290746707e+02 1.926516435e+02 1.04 2.816929455e+02 1.706769392e+02 2.494871671e+02 2.815456099e+02 2.815020230e+02 1.051400542e+02 1.777629980e+02 2.589281449e+02 1.182533499e+02 1.770945581e+02 1.06 2.597265674e+02 1.567633236e+02 2.297744205e+02 2.596356944e+02 2.595944510e+02 9.648337665e+01 1.635642231e+02 2.383414436e+02 1.084490375e+02 1.628989892e+02 1.08 2.393239293e+02 1.440471107e+02 2.116508465e+02 2.393530408e+02 2.393542095e+02 8.850859472e+01 1.503950523e+02 2.197218791e+02 9.949369253e+01 1.497477037e+02 1.10 2.208166371e+02 1.325151553e+02 1.950438196e+02 2.209335448e+02 2.209714283e+02 8.124142207e+01 1.384978325e+02 2.025556829e+02 9.136818077e+01 1.378327616e+02 1.12 2.039009100e+02 1.219601335e+02 1.798310159e+02 2.040567343e+02 2.041208255e+02 7.460183112e+01 1.275680930e+02 1.870588819e+02 8.398933649e+01 1.270113526e+02 1.14 1.884746448e+02 1.123876782e+02 1.660616296e+02 1.886053246e+02 1.886697702e+02 6.860634151e+01 1.175881647e+02 1.728204984e+02 7.722687557e+01 1.171283306e+02 1.16 1.746316748e+02 1.037001302e+02 1.536424054e+02 1.746972347e+02 1.747467803e+02 6.329432178e+01 1.085361871e+02 1.598590040e+02 7.116655874e+01 1.082128307e+02 1.18 1.618355104e+02 9.571125207e+01 1.422473657e+02 1.618290279e+02 1.618541898e+02 5.844450784e+01 1.002183466e+02 1.481608826e+02 6.558654583e+01 9.999077119e+01 1.20 1.499967659e+02 8.839203100e+01 1.317544742e+02 1.499320905e+02 1.499251673e+02 5.397828334e+01 9.257868106e+01 1.372244511e+02 6.042155084e+01 9.242048860e+01 1.22 1.391380678e+02 8.165737602e+01 1.222196952e+02 1.390378228e+02 1.390015201e+02 4.991134839e+01 8.562574919e+01 1.272602136e+02 5.570828743e+01 8.549702440e+01 1.24 1.291684489e+02 7.553769019e+01 1.134130609e+02 1.290518361e+02 1.289915212e+02 4.617275851e+01 7.922546438e+01 1.180776846e+02 5.137368847e+01 7.913934772e+01 1.26 1.199665869e+02 6.992329138e+01 1.052843072e+02 1.198586434e+02 1.197903627e+02 4.270979984e+01 7.338943081e+01 1.095463653e+02 4.741305327e+01 7.328218064e+01 1.28 1.116443856e+02 6.478483925e+01 9.793877819e+01 1.115698940e+02 1.115077794e+02 3.957405410e+01 6.803874320e+01 1.018649212e+02 4.383324230e+01 6.794148687e+01 1.30 1.038203690e+02 6.002707994e+01 9.103626128e+01 1.037972512e+02 1.037564641e+02 3.663691491e+01 6.309262660e+01 9.459838113e+01 4.052454922e+01 6.292512745e+01 1.32 9.653744254e+01 5.561930306e+01 8.461696117e+01 9.657523724e+01 9.656849085e+01 3.391443145e+01 5.848372112e+01 8.793069860e+01 3.748094132e+01 5.828555003e+01 1.34 8.983854843e+01 5.157124327e+01 7.868923248e+01 8.992931371e+01 8.995462989e+01 3.141470151e+01 5.421560752e+01 8.181284481e+01 3.467358240e+01 5.405487946e+01 1.36 8.362873956e+01 4.783286891e+01 7.322789479e+01 8.375561228e+01 8.380841617e+01 2.911476037e+01 5.027865782e+01 7.612728769e+01 3.207175616e+01 5.017851189e+01 1.38 7.794087639e+01 4.438842442e+01 6.812663467e+01 7.806568206e+01 7.812923334e+01 2.699441517e+01 4.665212065e+01 7.098247824e+01 2.968726758e+01 4.664506198e+01 1.40 7.279740836e+01 4.119141081e+01 6.346188724e+01 7.288942399e+01 7.295455203e+01 2.506886064e+01 4.335597685e+01 6.619074463e+01 2.751864321e+01 4.344790849e+01 1.42 6.796203422e+01 3.823281951e+01 5.910912922e+01 6.800427960e+01 6.806351922e+01 2.326975969e+01 4.030034020e+01 6.174652540e+01 2.548898114e+01 4.043822780e+01 1.44 6.348316383e+01 3.550042114e+01 5.508282896e+01 6.347229905e+01 6.351843775e+01 2.160782105e+01 3.747016873e+01 5.766457701e+01 2.362618428e+01 3.763324645e+01 1.46 5.932910232e+01 3.296271971e+01 5.138465086e+01 5.928103959e+01 5.931111686e+01 2.008201297e+01 3.488081407e+01 5.382277314e+01 2.190752118e+01 3.502547643e+01 1.48 5.546003299e+01 3.061674019e+01 4.797991934e+01 5.539555174e+01 5.540669154e+01 1.868073755e+01 3.246708927e+01 5.029561011e+01 2.031164795e+01 3.259653442e+01 1.50 5.188027897e+01 2.844859120e+01 4.487360820e+01 5.181365169e+01 5.180400818e+01 1.740156012e+01 3.023891314e+01 4.695275533e+01 1.885416325e+01 3.035492104e+01 1.52 4.854877168e+01 2.645382784e+01 4.198797569e+01 4.849505314e+01 4.846933344e+01 1.623249467e+01 2.817575834e+01 4.384641398e+01 1.752104529e+01 2.828256885e+01 1.54 4.536672797e+01 2.459309880e+01 3.923324464e+01 4.533386618e+01 4.529511111e+01 1.511767272e+01 2.621337154e+01 4.097772482e+01 1.627267955e+01 2.632491246e+01 1.56 4.240777047e+01 2.285847865e+01 3.665610045e+01 4.239453750e+01 4.234619942e+01 1.407836871e+01 2.439189210e+01 3.826945818e+01 1.511553435e+01 2.450949101e+01 1.58 3.965950804e+01 2.123201007e+01 3.423502542e+01 3.965990676e+01 3.960680719e+01 1.310221713e+01 2.269088641e+01 3.578061109e+01 1.404805690e+01 2.282381656e+01 1.60 3.708928550e+01 1.971832593e+01 3.194386731e+01 3.710089287e+01 3.705254147e+01 1.216559940e+01 2.110772259e+01 3.343865947e+01 1.305234874e+01 2.125274311e+01 1.62 3.472831914e+01 1.831728504e+01 2.980988048e+01 3.474646006e+01 3.470927583e+01 1.127788815e+01 1.965145274e+01 3.126232976e+01 1.212210027e+01 1.980802442e+01 1.64 3.254031546e+01 1.701808910e+01 2.784675232e+01 3.255953806e+01 3.253818132e+01 1.045136220e+01 1.830145228e+01 2.927370538e+01 1.125995855e+01 1.847364760e+01 1.66 3.046715142e+01 1.580426341e+01 2.598826446e+01 3.047987813e+01 3.047406872e+01 9.669952074e+00 1.704431240e+01 2.736926248e+01 1.044631588e+01 1.722101354e+01 1.68 2.853806373e+01 1.466817635e+01 2.427297935e+01 2.854046019e+01 2.854848215e+01 8.948056833e+00 1.588211134e+01 2.560624714e+01 9.687103236e+00 1.606778723e+01 1.70 2.673281089e+01 1.361168594e+01 2.268815476e+01 2.672345637e+01 2.674156070e+01 8.283830425e+00 1.480338305e+01 2.393917304e+01 8.975490767e+00 1.500114307e+01 1.72 2.503142744e+01 1.262106033e+01 2.121715493e+01 2.501479497e+01 2.503967775e+01 7.670714219e+00 1.380566332e+01 2.235970434e+01 8.314639876e+00 1.400767962e+01 1.74 2.344775742e+01 1.170014735e+01 1.985546719e+01 2.343240465e+01 2.346198502e+01 7.113567355e+00 1.288214197e+01 2.090202930e+01 7.704075997e+00 1.309672642e+01 1.76 2.194994215e+01 1.084224608e+01 1.858329806e+01 2.194386643e+01 2.197626036e+01 6.603279757e+00 1.203018482e+01 1.950731836e+01 7.117908000e+00 1.224686760e+01 1.78 2.051171809e+01 1.004683919e+01 1.738097396e+01 2.051996933e+01 2.055388982e+01 6.126616789e+00 1.122081610e+01 1.820341726e+01 6.567017040e+00 1.144154654e+01 1.80 1.916393815e+01 9.319211395e+00 1.624405257e+01 1.918731925e+01 1.922100703e+01 5.685308458e+00 1.045055109e+01 1.699287264e+01 6.054289356e+00 1.069036443e+01 1.82 1.790366825e+01 8.655215009e+00 1.517069351e+01 1.794006628e+01 1.797225078e+01 5.271609801e+00 9.727292837e+00 1.586439806e+01 5.576992395e+00 9.988370245e+00 1.84 1.672569225e+01 8.050875373e+00 1.415682453e+01 1.677091198e+01 1.680036157e+01 4.881405565e+00 9.045520402e+00 1.483698162e+01 5.136822946e+00 9.322845221e+00 1.86 1.564719702e+01 7.498721119e+00 1.321543729e+01 1.569416679e+01 1.571818545e+01 4.515959058e+00 8.413002017e+00 1.387522356e+01 4.737520510e+00 8.680179984e+00 1.88 1.464584278e+01 6.993200812e+00 1.231537162e+01 1.468601833e+01 1.470182813e+01 4.162226614e+00 7.818758995e+00 1.298825158e+01 4.367071500e+00 8.067294002e+00 1.90 1.371694771e+01 6.521657302e+00 1.146804765e+01 1.374366964e+01 1.374965314e+01 3.823952819e+00 7.256879113e+00 1.217007154e+01 4.022179071e+00 7.483483191e+00 1.92 1.286119084e+01 6.078940718e+00 1.068628657e+01 1.287077451e+01 1.286654210e+01 3.504745741e+00 6.738463375e+00 1.139759624e+01 3.702581143e+00 6.934248061e+00 1.94 1.206685312e+01 5.657979509e+00 9.961978335e+00 1.205834745e+01 1.204433924e+01 3.204406652e+00 6.254002991e+00 1.068392997e+01 3.404441618e+00 6.417961449e+00 1.96 1.132539991e+01 5.254063739e+00 9.293982696e+00 1.130038136e+01 1.127751431e+01 2.923570395e+00 5.808778291e+00 9.998960873e+00 3.125013267e+00 5.935945237e+00 1.98 1.063997246e+01 4.871497045e+00 8.691610481e+00 1.060313718e+01 1.057350191e+01 2.669331337e+00 5.399836437e+00 9.356793781e+00 2.863868699e+00 5.493592557e+00 2.00 9.979672533e+00 4.503970839e+00 8.133591608e+00 9.936273279e+00 9.901909719e+00 2.431263678e+00 5.015136812e+00 8.753568376e+00 2.615277746e+00 5.077481425e+00 2.02 9.347591973e+00 4.153936628e+00 7.608999961e+00 9.302143931e+00 9.265207818e+00 2.208896337e+00 4.655029851e+00 8.172930168e+00 2.380808835e+00 4.690955575e+00 2.04 8.748460422e+00 3.821071585e+00 7.120409799e+00 8.704439400e+00 8.667025572e+00 2.003824234e+00 4.316806018e+00 7.630349772e+00 2.160889864e+00 4.335032428e+00 2.06 8.175586544e+00 3.508875272e+00 6.662534085e+00 8.136456759e+00 8.101373878e+00 1.813065452e+00 3.997698969e+00 7.109520952e+00 1.957405972e+00 4.003449473e+00 2.08 7.631913774e+00 3.218853354e+00 6.231103739e+00 7.600448875e+00 7.570499931e+00 1.635504386e+00 3.695938825e+00 6.618628023e+00 1.769487920e+00 3.694782801e+00 2.10 7.126564437e+00 2.952122716e+00 5.828035124e+00 7.104348103e+00 7.081817389e+00 1.472391998e+00 3.401279059e+00 6.166873122e+00 1.598690539e+00 3.411177562e+00 2.12 6.639606136e+00 2.707295894e+00 5.442675186e+00 6.627626565e+00 6.614381157e+00 1.318359305e+00 3.120968472e+00 5.734424725e+00 1.435591713e+00 3.139774029e+00 2.14 6.180669443e+00 2.468274219e+00 5.083472217e+00 6.179004239e+00 6.175821878e+00 1.176234703e+00 2.854365105e+00 5.332680817e+00 1.279708051e+00 2.882622488e+00 2.16 5.749632961e+00 2.252822032e+00 4.745688232e+00 5.757927830e+00 5.764836895e+00 1.045289195e+00 2.605100353e+00 4.955012063e+00 1.135300890e+00 2.639794067e+00 2.18 5.346245357e+00 2.058482378e+00 4.429585271e+00 5.363222672e+00 5.379164873e+00 9.241665809e-01 2.370779314e+00 4.601254031e+00 1.000205909e+00 2.411903988e+00 2.20 4.973937773e+00 1.883859167e+00 4.136577183e+00 4.997638625e+00 5.020729325e+00 8.129609654e-01 2.151952724e+00 4.278490024e+00 8.743328793e-01 2.201847566e+00 2.22 4.634517061e+00 1.726300064e+00 3.865556931e+00 4.662209645e+00 4.689644481e+00 7.110798823e-01 1.950657100e+00 3.975451534e+00 7.579573025e-01 2.011658908e+00 2.24 4.315711442e+00 1.581393856e+00 3.605942151e+00 4.344898487e+00 4.374014250e+00 6.141648519e-01 1.762605676e+00 3.693497782e+00 6.475734141e-01 1.835508115e+00 2.26 4.020410152e+00 1.448329522e+00 3.353926415e+00 4.049221924e+00 4.078026649e+00 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