# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--LAMMPS--ipr1 # composition = H # 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 2.163902018e+01 nan 0.72 nan nan nan nan nan nan nan nan 1.971555585e+01 nan 0.74 nan nan nan nan nan nan nan nan 1.800086709e+01 nan 0.76 nan nan nan nan nan 1.410646735e+01 nan nan 1.646615643e+01 nan 0.78 nan nan nan nan nan 1.289909690e+01 nan nan 1.508736270e+01 nan 0.80 nan nan nan nan nan 1.181253660e+01 nan nan 1.384520606e+01 nan 0.82 nan nan nan nan nan 1.083225022e+01 nan nan 1.272257177e+01 nan 0.84 nan nan nan nan nan 9.946301836e+00 nan nan 1.170449099e+01 nan 0.86 nan 1.497415316e+01 nan 2.205907187e+01 2.205952035e+01 9.144854669e+00 nan nan 1.077825753e+01 1.502454051e+01 0.88 nan 1.384145808e+01 nan 2.044115108e+01 2.044043196e+01 8.418718757e+00 1.409024131e+01 nan 9.933525277e+00 1.389631826e+01 0.90 nan 1.280855590e+01 nan 1.896497764e+01 1.896356421e+01 7.759709056e+00 1.304985189e+01 nan 9.161630294e+00 1.286646082e+01 0.92 nan 1.186515216e+01 nan 1.761554900e+01 1.761417637e+01 7.161484580e+00 1.209966515e+01 nan 8.455451804e+00 1.192306733e+01 0.94 nan 1.100317677e+01 nan 1.638066109e+01 1.637976236e+01 6.618216994e+00 1.122906999e+01 nan 7.808848017e+00 1.105744881e+01 0.96 nan 1.021487536e+01 nan 1.524917831e+01 1.524875534e+01 6.124754292e+00 1.042885851e+01 nan 7.216641283e+00 1.026181029e+01 0.98 1.421255181e+01 9.492502616e+00 1.288698418e+01 1.421109288e+01 1.421077901e+01 5.676080587e+00 9.691261047e+00 1.328473859e+01 6.674452058e+00 9.529324188e+00 1.00 1.325894341e+01 8.828812377e+00 1.202017552e+01 1.325739131e+01 1.325699276e+01 5.267179995e+00 9.010148693e+00 1.238802516e+01 6.178199779e+00 8.853974047e+00 1.02 1.238056640e+01 8.217713745e+00 1.122226741e+01 1.237968585e+01 1.237934410e+01 4.893212677e+00 8.380271179e+00 1.156287763e+01 5.723854186e+00 8.230192167e+00 1.04 1.157098474e+01 7.654032054e+00 1.048581323e+01 1.157094336e+01 1.157068645e+01 4.550042989e+00 7.796939941e+00 1.080297352e+01 5.307633981e+00 7.654104672e+00 1.06 1.082434524e+01 7.132770777e+00 9.803996534e+00 1.082463892e+01 1.082430716e+01 4.233788124e+00 7.256192534e+00 1.010221934e+01 4.926068799e+00 7.122261144e+00 1.08 1.013484471e+01 6.649058557e+00 9.171424921e+00 1.013504813e+01 1.013457511e+01 3.941377357e+00 6.754994250e+00 9.454554973e+00 4.576072274e+00 6.631311216e+00 1.10 9.496900942e+00 6.198933326e+00 8.584175220e+00 9.496808019e+00 9.496256434e+00 3.670916477e+00 6.290795956e+00 8.854080303e+00 4.254650487e+00 6.178346426e+00 1.12 8.904992682e+00 5.779161405e+00 8.038571827e+00 8.904597958e+00 8.904130069e+00 3.420757014e+00 5.861112680e+00 8.295318966e+00 3.958834537e+00 5.760580269e+00 1.14 8.353609006e+00 5.387395731e+00 7.530939145e+00 8.353262141e+00 8.353138468e+00 3.189250509e+00 5.463591708e+00 7.773761999e+00 3.685944452e+00 5.375226246e+00 1.16 7.838007992e+00 5.022035147e+00 7.057601577e+00 7.838245628e+00 7.838728827e+00 2.974748502e+00 5.095913563e+00 7.286110193e+00 3.433876508e+00 5.019499363e+00 1.18 7.355198058e+00 4.681575957e+00 6.615008417e+00 7.356239805e+00 7.357407102e+00 2.775602533e+00 4.755769199e+00 6.830092575e+00 3.200746278e+00 4.690772273e+00 1.20 6.903190701e+00 4.364587934e+00 6.200283418e+00 6.904952008e+00 6.906736003e+00 2.590168984e+00 4.440970651e+00 6.403695860e+00 2.984839414e+00 4.386711511e+00 1.22 6.480093742e+00 4.069648880e+00 5.811156045e+00 6.482325287e+00 6.484556993e+00 2.416996938e+00 4.149577892e+00 6.004958188e+00 2.784479812e+00 4.105015717e+00 1.24 6.084036268e+00 3.795336595e+00 5.445906908e+00 6.086448906e+00 6.088861543e+00 2.254933529e+00 3.879788612e+00 5.632121460e+00 2.598014702e+00 3.843447323e+00 1.26 5.713324760e+00 3.540228880e+00 5.103227273e+00 5.715585119e+00 5.717845479e+00 2.103219382e+00 3.629938579e+00 5.283478514e+00 2.424095731e+00 3.600300945e+00 1.28 5.366353886e+00 3.302903538e+00 4.781995486e+00 5.368109667e+00 5.369865448e+00 1.961282200e+00 3.398397910e+00 4.957324932e+00 2.261695550e+00 3.374135763e+00 1.30 5.041518957e+00 3.081973818e+00 4.481091256e+00 5.042530780e+00 5.043542604e+00 1.828551045e+00 3.183536720e+00 4.652062727e+00 2.109877666e+00 3.163512876e+00 1.32 4.737215279e+00 2.876187820e+00 4.199428947e+00 4.737390937e+00 4.737566595e+00 1.704489640e+00 2.983740420e+00 4.366232129e+00 1.967826354e+00 2.966993383e+00 1.34 4.451838161e+00 2.684498219e+00 3.936042984e+00 4.451232614e+00 4.450627067e+00 1.588681766e+00 2.797537570e+00 4.098384461e+00 1.834776434e+00 2.783138382e+00 1.36 4.183867497e+00 2.506040219e+00 3.689993764e+00 4.182661728e+00 4.181455959e+00 1.480737178e+00 2.623534900e+00 3.847210942e+00 1.710025733e+00 2.610593556e+00 1.38 3.932216338e+00 2.340063244e+00 3.460341689e+00 3.930609064e+00 3.929001790e+00 1.380265631e+00 2.460374300e+00 3.611720311e+00 1.593078612e+00 2.448437748e+00 1.40 3.695936026e+00 2.185851290e+00 3.246147156e+00 3.694109125e+00 3.692282224e+00 1.286876881e+00 2.307026048e+00 3.390982294e+00 1.483573430e+00 2.295888090e+00 1.42 3.474078762e+00 2.042688369e+00 3.046470566e+00 3.472197257e+00 3.470315753e+00 1.200180684e+00 2.162758188e+00 3.184067174e+00 1.381164299e+00 2.152163373e+00 1.44 3.265764299e+00 1.909858491e+00 2.860372317e+00 3.263976361e+00 3.262188422e+00 1.119786796e+00 2.026898168e+00 2.990090267e+00 1.285505331e+00 2.016617491e+00 1.46 3.070230250e+00 1.786645669e+00 2.686912809e+00 3.068667192e+00 3.067104135e+00 1.045304972e+00 1.898907628e+00 2.808245851e+00 1.196250637e+00 1.888840057e+00 1.48 2.886726073e+00 1.672333913e+00 2.525152441e+00 2.885502358e+00 2.884278642e+00 9.763449677e-01 1.778400120e+00 2.637788909e+00 1.113054331e+00 1.768444377e+00 1.50 2.714501228e+00 1.566207234e+00 2.374151612e+00 2.713714462e+00 2.712927696e+00 9.125165395e-01 1.665000730e+00 2.478080041e+00 1.035570525e+00 1.655043762e+00 1.52 2.552844298e+00 1.467569204e+00 2.232996802e+00 2.552565454e+00 2.552286610e+00 8.534294427e-01 1.558334546e+00 2.328505460e+00 9.634533306e-01 1.548271078e+00 1.54 2.401200351e+00 1.375801640e+00 2.100878818e+00 2.401434644e+00 2.401668938e+00 7.986934332e-01 1.458026655e+00 2.188503539e+00 8.963568602e-01 1.447837441e+00 1.56 2.259053577e+00 1.290305919e+00 1.977014546e+00 2.259730688e+00 2.260407798e+00 7.479182665e-01 1.363702263e+00 2.057525694e+00 8.339362765e-01 1.353473522e+00 1.58 2.125888169e+00 1.210483416e+00 1.860641072e+00 2.126867288e+00 2.127846407e+00 7.007237981e-01 1.275007110e+00 1.935023342e+00 7.758719263e-01 1.264909996e+00 1.60 2.001188317e+00 1.135735508e+00 1.751231678e+00 2.002317199e+00 2.003446081e+00 6.568479819e-01 1.191630784e+00 1.820447897e+00 7.218704822e-01 1.181877537e+00 1.62 1.884438211e+00 1.065481333e+00 1.648412691e+00 1.885591433e+00 1.886744656e+00 6.161052932e-01 1.113283665e+00 1.713250774e+00 6.716485541e-01 1.104106818e+00 1.64 1.775122042e+00 9.992634661e-01 1.551813017e+00 1.776201650e+00 1.777281258e+00 5.783114973e-01 1.039736913e+00 1.612883391e+00 6.249335429e-01 1.031328513e+00 1.66 1.672724002e+00 9.367252513e-01 1.461061561e+00 1.673659508e+00 1.674595014e+00 5.432823597e-01 9.707769312e-01 1.518797161e+00 5.814917045e-01 9.632732961e-01 1.68 1.576728281e+00 8.775901514e-01 1.375787230e+00 1.577476666e+00 1.578225052e+00 5.108336457e-01 9.061901182e-01 1.430453098e+00 5.411129720e-01 8.996718406e-01 1.70 1.486619070e+00 8.216415685e-01 1.295618929e+00 1.487164784e+00 1.487710497e+00 4.807811209e-01 8.457628747e-01 1.347384294e+00 5.036096441e-01 8.402548202e-01 1.72 1.401880561e+00 7.686874786e-01 1.220185565e+00 1.402235519e+00 1.402590477e+00 4.529405505e-01 7.892816010e-01 1.269157423e+00 4.688126858e-01 7.847529088e-01 1.74 1.322000133e+00 7.185362472e-01 1.149117172e+00 1.322203323e+00 1.322406512e+00 4.271277000e-01 7.365326974e-01 1.195410335e+00 4.365536488e-01 7.328978437e-01 1.76 1.246591101e+00 6.710067340e-01 1.082088308e+00 1.246692835e+00 1.246794569e+00 4.031583348e-01 6.873025643e-01 1.125905985e+00 4.066640849e-01 6.844633392e-01 1.78 1.175431462e+00 6.259315225e-01 1.018831758e+00 1.175472797e+00 1.175514132e+00 3.808482202e-01 6.413776019e-01 1.060420066e+00 3.789755457e-01 6.392780047e-01 1.80 1.108310332e+00 5.831469454e-01 9.590842364e-01 1.108321675e+00 1.108333019e+00 3.600131218e-01 5.985442106e-01 9.987282705e-01 3.533195830e-01 5.971741555e-01 1.82 1.045016826e+00 5.425396416e-01 9.025824589e-01 1.045017938e+00 1.045019051e+00 3.404688050e-01 5.585887906e-01 9.406062894e-01 3.295277483e-01 5.579841067e-01 1.84 9.853400591e-01 5.040395674e-01 8.490632045e-01 9.853400591e-01 9.853400591e-01 3.220310988e-01 5.212986347e-01 8.858298150e-01 3.074315935e-01 5.215401738e-01 1.86 9.290691473e-01 4.675780944e-01 7.982948914e-01 9.290691473e-01 9.290691473e-01 3.045474717e-01 4.864816547e-01 8.341745393e-01 2.868723375e-01 4.876746718e-01 1.88 8.759932057e-01 4.330865942e-01 7.501286555e-01 8.759932057e-01 8.759932057e-01 2.879481101e-01 4.539664361e-01 7.854161543e-01 2.677334931e-01 4.562199161e-01 1.90 8.259013498e-01 4.004964384e-01 7.044289836e-01 8.259013498e-01 8.259013498e-01 2.721765506e-01 4.235841710e-01 7.393303520e-01 2.499101357e-01 4.270082219e-01 1.92 7.785826951e-01 3.697389987e-01 6.610603623e-01 7.785826951e-01 7.785826951e-01 2.571763302e-01 3.951826913e-01 6.956928242e-01 2.332973411e-01 3.998719044e-01 1.94 7.338263569e-01 3.407456466e-01 6.198872779e-01 7.338263569e-01 7.338263569e-01 2.428909855e-01 3.686192283e-01 6.542792629e-01 2.177901850e-01 3.746432789e-01 1.96 6.914214506e-01 3.134477537e-01 5.807742173e-01 6.914214506e-01 6.914214506e-01 2.292640535e-01 3.437511195e-01 6.148816843e-01 2.032837432e-01 3.511546606e-01 1.98 6.511570917e-01 2.877766917e-01 5.435856670e-01 6.511570917e-01 6.511570917e-01 2.162390708e-01 3.204357022e-01 5.773602529e-01 1.896730914e-01 3.292383647e-01 2.00 6.128223953e-01 2.636638321e-01 5.081861133e-01 6.128223953e-01 6.128223953e-01 2.037595743e-01 2.985303139e-01 5.415929145e-01 1.768533053e-01 3.087267064e-01 2.02 5.762298189e-01 2.410434643e-01 4.744556043e-01 5.762298189e-01 5.762298189e-01 1.917768813e-01 2.779000727e-01 5.074681464e-01 1.647270503e-01 2.894636720e-01 2.04 5.412851841e-01 2.198615483e-01 4.423364307e-01 5.412851841e-01 5.412851841e-01 1.802734308e-01 2.584412182e-01 4.749165502e-01 1.532466635e-01 2.713399298e-01 2.06 5.079176547e-01 2.000669615e-01 4.117864446e-01 5.079176547e-01 5.079176547e-01 1.692394423e-01 2.400588777e-01 4.438792591e-01 1.423906308e-01 2.542578192e-01 2.08 4.760563945e-01 1.816085818e-01 3.827634983e-01 4.760563945e-01 4.760563945e-01 1.586651354e-01 2.226866402e-01 4.142974062e-01 1.321379629e-01 2.381196796e-01 2.10 4.456305670e-01 1.644352867e-01 3.552254437e-01 4.456305670e-01 4.456305670e-01 1.485407297e-01 2.062883270e-01 3.861121246e-01 1.224676705e-01 2.228278504e-01 2.12 4.165693359e-01 1.484959539e-01 3.291301329e-01 4.165693359e-01 4.165693359e-01 1.388564446e-01 1.908292210e-01 3.592645474e-01 1.133587644e-01 2.082846709e-01 2.14 3.888074994e-01 1.337394609e-01 3.044354180e-01 3.888074994e-01 3.888074994e-01 1.296024998e-01 1.762746055e-01 3.336995642e-01 1.047902554e-01 1.944037497e-01 2.16 3.623073442e-01 1.201146856e-01 2.810991511e-01 3.623073442e-01 3.623073442e-01 1.207691147e-01 1.625897634e-01 3.093803900e-01 9.674115419e-02 1.811536721e-01 2.18 3.370395269e-01 1.075705054e-01 2.590791842e-01 3.370395269e-01 3.370395269e-01 1.123465090e-01 1.497399779e-01 2.862758198e-01 8.919047155e-02 1.685197635e-01 2.20 3.129747062e-01 9.605579800e-02 2.383333695e-01 3.129747062e-01 3.129747062e-01 1.043249021e-01 1.376905320e-01 2.643546503e-01 8.211721824e-02 1.564873531e-01 2.22 2.900835406e-01 8.551944110e-02 2.188195590e-01 2.900835406e-01 2.900835406e-01 9.669451352e-02 1.264067088e-01 2.435856777e-01 7.550040501e-02 1.450417703e-01 2.24 2.683366887e-01 7.591031229e-02 2.004956048e-01 2.683366887e-01 2.683366887e-01 8.944556290e-02 1.158537914e-01 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