# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-2 # implementation = 2014--Bonny-G--W-H-He-2--LAMMPS--ipr1 # composition = He # 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 6.982827333e+01 nan 0.72 nan nan nan nan nan nan nan nan 6.248407234e+01 nan 0.74 nan nan nan nan nan nan nan nan 5.588997241e+01 nan 0.76 nan nan nan nan nan 4.046161678e+01 nan nan 4.991647683e+01 nan 0.78 nan nan nan nan nan 3.582419920e+01 nan nan 4.448514946e+01 nan 0.80 nan nan nan nan nan 3.174388682e+01 nan nan 3.955516602e+01 nan 0.82 nan nan nan nan nan 2.817479730e+01 nan nan 3.508778982e+01 nan 0.84 nan nan nan nan nan 2.507971540e+01 nan nan 3.104710499e+01 nan 0.86 nan 4.325242175e+01 nan 6.997590201e+01 6.987031938e+01 2.241624461e+01 nan nan 2.741355489e+01 4.397725501e+01 0.88 nan 3.905194359e+01 nan 6.376465879e+01 6.367187224e+01 2.013125713e+01 4.066693865e+01 nan 2.416971290e+01 3.942379489e+01 0.90 nan 3.525212297e+01 nan 5.817290811e+01 5.811564389e+01 1.817172518e+01 3.650887888e+01 nan 2.129084037e+01 3.526974287e+01 0.92 nan 3.179964806e+01 nan 5.311584288e+01 5.310847267e+01 1.648557721e+01 3.265921092e+01 nan 1.874600574e+01 3.148459955e+01 0.94 nan 2.864997028e+01 nan 4.853341981e+01 4.857147720e+01 1.501736354e+01 2.910929506e+01 nan 1.650056696e+01 2.805770558e+01 0.96 nan 2.575193039e+01 nan 4.437167385e+01 4.443437783e+01 1.371531965e+01 2.585253958e+01 nan 1.452394947e+01 2.497802080e+01 0.98 4.050995248e+01 2.305326575e+01 3.602627368e+01 4.057762957e+01 4.064566669e+01 1.255456496e+01 2.288840411e+01 3.715235355e+01 1.278857983e+01 2.221768189e+01 1.00 3.703952440e+01 2.052566499e+01 3.271814550e+01 3.709917818e+01 3.715919467e+01 1.151697880e+01 2.020970109e+01 3.387497072e+01 1.126606853e+01 1.974531262e+01 1.02 3.384026923e+01 1.815335761e+01 2.963048795e+01 3.388466639e+01 3.392923297e+01 1.058449581e+01 1.780426632e+01 3.082414697e+01 9.929219855e+00 1.752985037e+01 1.04 3.085670882e+01 1.593271208e+01 2.675123305e+01 3.088390231e+01 3.091102802e+01 9.739272083e+00 1.565234268e+01 2.796075875e+01 8.756466846e+00 1.554145526e+01 1.06 2.804487204e+01 1.386337183e+01 2.406889666e+01 2.805681393e+01 2.806855918e+01 8.963685059e+00 1.373191259e+01 2.526579795e+01 7.728177851e+00 1.375422067e+01 1.08 2.539620706e+01 1.194617636e+01 2.157175977e+01 2.539567646e+01 2.539493316e+01 8.241498188e+00 1.202164432e+01 2.273572563e+01 6.825141548e+00 1.215333662e+01 1.10 2.290668428e+01 1.018164348e+01 1.924669065e+01 2.289759418e+01 2.288835987e+01 7.557379521e+00 1.050034807e+01 2.036612117e+01 6.028152627e+00 1.072488031e+01 1.12 2.057210127e+01 8.571203181e+00 1.707920645e+01 2.055873012e+01 2.054533598e+01 6.896880020e+00 9.147316685e+00 1.815265826e+01 5.317751656e+00 9.454871315e+00 1.14 1.838825885e+01 7.116124998e+00 1.506086342e+01 1.837407273e+01 1.835995678e+01 6.256778685e+00 7.946214115e+00 1.609181773e+01 4.681566417e+00 8.329329186e+00 1.16 1.635120798e+01 5.813343984e+00 1.318739862e+01 1.633889397e+01 1.632665717e+01 5.638818636e+00 6.881702987e+00 1.418111997e+01 4.110931934e+00 7.334276743e+00 1.18 1.445842376e+01 4.657888705e+00 1.145459452e+01 1.444962278e+01 1.444086127e+01 5.044749112e+00 5.938449209e+00 1.241929914e+01 3.597208165e+00 6.456077637e+00 1.20 1.270932555e+01 3.642870019e+00 9.858445635e+00 1.270443279e+01 1.269954717e+01 4.476320871e+00 5.101156761e+00 1.080286134e+01 3.130911663e+00 5.681730880e+00 1.22 1.110343301e+01 2.760358062e+00 8.395136929e+00 1.110163302e+01 1.109983307e+01 3.935345260e+00 4.354607579e+00 9.326098947e+00 2.702573042e+00 4.998268918e+00 1.24 9.635480734e+00 2.002015534e+00 7.061110002e+00 9.635392581e+00 9.635304427e+00 3.423810681e+00 3.683920360e+00 7.980029605e+00 2.308651052e+00 4.391146994e+00 1.26 8.293666507e+00 1.358955752e+00 5.853630849e+00 8.294224454e+00 8.294782402e+00 2.944524529e+00 3.080168322e+00 6.754854958e+00 1.948982507e+00 3.843790165e+00 1.28 7.065799758e+00 8.222520678e-01 4.770369919e+00 7.066349949e+00 7.066900141e+00 2.500698659e+00 2.540365389e+00 5.640819882e+00 1.623742323e+00 3.339673883e+00 1.30 5.942853957e+00 3.829889748e-01 3.808712720e+00 5.943172096e+00 5.943490236e+00 2.095259981e+00 2.061556279e+00 4.630311942e+00 1.333057365e+00 2.868601889e+00 1.32 4.920365806e+00 3.229336792e-02 2.963092970e+00 4.920421036e+00 4.920476267e+00 1.728183617e+00 1.639666950e+00 3.718804319e+00 1.075778600e+00 2.429504385e+00 1.34 3.994227255e+00 -2.386435359e-01 2.226238520e+00 3.994036858e+00 3.993846460e+00 1.397738822e+00 1.270341466e+00 2.902011411e+00 8.497044251e-01 2.022022073e+00 1.36 3.160356850e+00 -4.385731277e-01 1.590863015e+00 3.159977730e+00 3.159598610e+00 1.102180645e+00 9.492484354e-01 2.175745509e+00 6.527091033e-01 1.645822251e+00 1.38 2.414809333e+00 -5.762108857e-01 1.049680102e+00 2.414303971e+00 2.413798609e+00 8.397641345e-01 6.720923898e-01 1.536002292e+00 4.830176329e-01 1.300708411e+00 1.40 1.753682925e+00 -6.602614180e-01 5.954034272e-01 1.753108508e+00 1.752534090e+00 6.087443408e-01 4.349870271e-01 9.788038065e-01 3.389557063e-01 9.865275248e-01 1.42 1.173077595e+00 -6.994293278e-01 2.207466354e-01 1.172486009e+00 1.171894423e+00 4.073763130e-01 2.343453161e-01 5.000652530e-01 2.187347631e-01 7.031300417e-01 1.44 6.692393595e-01 -7.024192183e-01 -8.157662719e-02 6.686771926e-01 6.681150258e-01 2.339151002e-01 6.659759658e-02 9.536719914e-02 1.194156957e-01 4.506585035e-01 1.46 2.386690414e-01 -6.779356927e-01 -3.188527148e-01 2.381775821e-01 2.376861228e-01 8.661575196e-02 -7.189261962e-02 -2.396477933e-01 3.741540998e-02 2.297650677e-01 1.48 -1.221069192e-01 -6.345626902e-01 -4.983679815e-01 -1.224916819e-01 -1.228764447e-01 -3.626668255e-02 -1.837015777e-01 -5.093034819e-01 -3.059519045e-02 4.115312378e-02 1.50 -4.166783785e-01 -5.782986279e-01 -6.274087814e-01 -4.169257549e-01 -4.171731312e-01 -1.364771540e-01 -2.709556569e-01 -7.179679472e-01 -8.622440957e-02 -1.147065299e-01 1.52 -6.496224047e-01 -5.126514705e-01 -7.132532683e-01 -6.497100794e-01 -6.497977541e-01 -2.157606131e-01 -3.357812382e-01 -8.706675579e-01 -1.303839861e-01 -2.393359709e-01 1.54 -8.259761757e-01 -4.410041715e-01 -7.631467938e-01 -8.259025087e-01 -8.258288417e-01 -2.758620105e-01 -3.803047027e-01 -9.727518237e-01 -1.639836905e-01 -3.352513003e-01 1.56 -9.507686212e-01 -3.667335342e-01 -7.843263653e-01 -9.505557229e-01 -9.503428247e-01 -3.185262969e-01 -4.066523944e-01 -1.029568856e+00 -1.879329625e-01 -4.049705742e-01 1.58 -1.029028671e+00 -2.932163616e-01 -7.831487262e-01 -1.028720815e+00 -1.028412958e+00 -3.454952474e-01 -4.169442005e-01 -1.046466765e+00 -2.031333238e-01 -4.510118488e-01 1.60 -1.065785255e+00 -2.238294569e-01 -7.629546543e-01 -1.065430310e+00 -1.065075364e+00 -3.584735044e-01 -4.132862219e-01 -1.028793662e+00 -2.104780186e-01 -4.758931800e-01 1.62 -1.066067302e+00 -1.618594026e-01 -7.264185158e-01 -1.065704704e+00 -1.065342106e+00 -3.591416503e-01 -3.977500246e-01 -9.818976591e-01 -2.108571665e-01 -4.821326242e-01 1.64 -1.034903744e+00 -1.086197541e-01 -6.762138637e-01 -1.034564291e+00 -1.034224839e+00 -3.491798619e-01 -3.722757646e-01 -9.111268666e-01 -2.051504105e-01 -4.722482372e-01 1.66 -9.773235081e-01 -6.337696023e-02 -6.150142514e-01 -9.770293646e-01 -9.767352212e-01 -3.302683159e-01 -3.387706525e-01 -8.218293957e-01 -1.941537425e-01 -4.487580754e-01 1.68 -8.983555257e-01 -2.515481701e-02 -5.454932320e-01 -8.981202171e-01 -8.978849085e-01 -3.040871891e-01 -2.991418988e-01 -7.193503402e-01 -1.786143266e-01 -4.141801948e-01 1.70 -8.030287263e-01 7.052587201e-03 -4.703243587e-01 -8.028571421e-01 -8.026855579e-01 -2.723166581e-01 -2.554207696e-01 -6.090121300e-01 -1.592717882e-01 -3.710326515e-01 1.72 -6.963720395e-01 3.425550125e-02 -3.921811845e-01 -6.962604328e-01 -6.961488262e-01 -2.366368998e-01 -2.098546628e-01 -4.961266363e-01 -1.368835329e-01 -3.218335017e-01 1.74 -5.834133917e-01 5.711841860e-02 -3.137348237e-01 -5.833495046e-01 -5.832856174e-01 -1.987280909e-01 -1.640749108e-01 -3.859833517e-01 -1.125077786e-01 -2.691004669e-01 1.76 -4.691411143e-01 7.566943374e-02 -2.375601297e-01 -4.691091268e-01 -4.690771394e-01 -1.602704082e-01 -1.195932961e-01 -2.836049874e-01 -8.741007886e-02 -2.153380705e-01 1.78 -3.584917574e-01 8.987174247e-02 -1.661060720e-01 -3.584787609e-01 -3.584657644e-01 -1.229440283e-01 -7.792160134e-02 -1.915537209e-01 -6.286008460e-02 -1.630335755e-01 1.80 -2.563983816e-01 9.969493409e-02 -1.018131253e-01 -2.563948150e-01 -2.563912484e-01 -8.842912997e-02 -4.057161093e-02 -1.108915954e-01 -4.012744805e-02 -1.146730824e-01 1.82 -1.668340248e-01 1.053373618e-01 -4.648179496e-02 -1.668336750e-01 -1.668333252e-01 -5.808588429e-02 -8.735101897e-03 -4.233918908e-02 -2.024181586e-02 -7.226268068e-02 1.84 -8.993175880e-02 1.075710263e-01 4.678797583e-04 -8.993175880e-02 -8.993175880e-02 -3.199445358e-02 1.767641812e-02 1.466290871e-02 -3.272843068e-03 -3.588847650e-02 1.86 -2.486463273e-02 1.072909910e-01 3.967850025e-02 -2.486463273e-02 -2.486463273e-02 -9.905044571e-03 3.907793215e-02 6.099411603e-02 1.095286049e-02 -5.156564888e-03 1.88 2.919429854e-02 1.053922357e-01 7.169876184e-02 2.919429854e-02 2.919429854e-02 8.458142387e-03 5.589092144e-02 9.753384910e-02 2.262198163e-02 2.032695635e-02 1.90 7.307198019e-02 1.025986368e-01 9.708155741e-02 7.307198019e-02 7.307198019e-02 2.337510466e-02 6.854083541e-02 1.251615241e-01 3.192484277e-02 4.095598940e-02 1.92 1.075953574e-01 9.910300132e-02 1.163797798e-01 1.075953574e-01 1.075953574e-01 3.512583961e-02 7.748909800e-02 1.447565574e-01 3.905176640e-02 5.712443647e-02 1.94 1.335913752e-01 9.499540750e-02 1.301463220e-01 1.335913752e-01 1.335913752e-01 4.399034460e-02 8.321745428e-02 1.571983649e-01 4.419307501e-02 6.922619974e-02 1.96 1.518869789e-01 9.036593358e-02 1.389340768e-01 1.518869789e-01 1.518869789e-01 5.024861698e-02 8.620787907e-02 1.634016556e-01 4.753909110e-02 7.765518142e-02 1.98 1.633091136e-01 8.530465780e-02 1.432959371e-01 1.633091136e-01 1.633091136e-01 5.418065414e-02 8.694234725e-02 1.644284744e-01 4.928013717e-02 8.280528368e-02 2.00 1.686847240e-01 7.990165829e-02 1.437847954e-01 1.686847240e-01 1.686847240e-01 5.606645323e-02 8.586444038e-02 1.613793087e-01 4.960653559e-02 8.507040845e-02 2.02 1.688912205e-01 7.425332146e-02 1.409871881e-01 1.688912205e-01 1.688912205e-01 5.620283342e-02 8.328184284e-02 1.553723329e-01 4.872177670e-02 8.486969061e-02 2.04 1.650078653e-01 6.848126514e-02 1.356242195e-01 1.650078653e-01 1.650078653e-01 5.495389773e-02 7.953155464e-02 1.475961196e-01 4.688809275e-02 8.272319083e-02 2.06 1.581643865e-01 6.271341543e-02 1.284506377e-01 1.581643865e-01 1.581643865e-01 5.270057114e-02 7.496774595e-02 1.390533184e-01 4.438671934e-02 7.917620277e-02 2.08 1.494905115e-01 5.707769833e-02 1.202211905e-01 1.494905115e-01 1.494905115e-01 4.982377848e-02 6.995353566e-02 1.302001388e-01 4.149905697e-02 7.477401977e-02 2.10 1.401159683e-01 5.170203992e-02 1.116906259e-01 1.401159683e-01 1.401159683e-01 4.670444469e-02 6.486154853e-02 1.214020718e-01 3.850650628e-02 7.006193544e-02 2.12 1.309784831e-01 4.669036604e-02 1.034856909e-01 1.309784831e-01 1.309784831e-01 4.365949414e-02 6.000086837e-02 1.129606079e-01 3.564246747e-02 6.548924246e-02 2.14 1.222495563e-01 4.205060288e-02 9.572113403e-02 1.222495563e-01 1.222495563e-01 4.074985209e-02 5.542457986e-02 1.049224197e-01 3.294834138e-02 6.112477814e-02 2.16 1.139173296e-01 3.776667640e-02 8.838370284e-02 1.139173296e-01 1.139173296e-01 3.797244320e-02 5.112176709e-02 9.727594105e-02 3.041752844e-02 5.695866481e-02 2.18 1.059725769e-01 3.382251260e-02 8.146014509e-02 1.059725769e-01 1.059725769e-01 3.532419229e-02 4.708151432e-02 9.001136038e-02 2.804342917e-02 5.298628843e-02 2.20 9.840607244e-02 3.020203751e-02 7.493720855e-02 9.840607244e-02 9.840607244e-02 3.280202415e-02 4.329290578e-02 8.311886665e-02 2.581944409e-02 4.920303622e-02 2.22 9.120859080e-02 2.688917714e-02 6.880164101e-02 9.120859080e-02 9.120859080e-02 3.040286360e-02 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