# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = 2013--Smirnova-D-E--U-Mo-Xe--LAMMPS--ipr2 # composition = Xe # 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 nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 4.253660155e+04 nan 0.80 nan nan nan nan nan nan nan nan 3.899292180e+04 nan 0.82 nan nan nan nan nan nan nan nan 3.584219585e+04 nan 0.84 nan nan nan nan nan 2.968253904e+04 nan nan 3.315954725e+04 nan 0.86 nan nan nan nan nan 2.774448737e+04 nan nan 3.077732486e+04 nan 0.88 nan nan nan nan nan 2.595967527e+04 nan nan 2.864405988e+04 nan 0.90 nan nan nan nan nan 2.429269125e+04 nan nan 2.683056858e+04 nan 0.92 nan nan nan nan nan 2.270914723e+04 nan nan 2.520673899e+04 nan 0.94 nan nan nan 4.723587420e+04 4.741687522e+04 2.117812584e+04 nan nan 2.372523921e+04 3.150190310e+04 0.96 nan 3.005371205e+04 nan 4.410426932e+04 4.432417434e+04 1.968114364e+04 2.937526397e+04 nan 2.234667450e+04 2.952952163e+04 0.98 nan 2.798935215e+04 nan 4.129186958e+04 4.146458695e+04 1.820994880e+04 2.754991595e+04 nan 2.103626901e+04 2.782602091e+04 1.00 nan 2.605320371e+04 nan 3.857926277e+04 3.858337895e+04 1.660960201e+04 2.588640874e+04 nan 1.974496555e+04 2.628356349e+04 1.02 nan 2.404777904e+04 nan 3.613747379e+04 3.606533731e+04 1.528533938e+04 2.446868290e+04 nan 1.854653454e+04 2.486796131e+04 1.04 nan 2.237917648e+04 nan 3.386045042e+04 3.374095728e+04 1.408557169e+04 2.319765193e+04 nan 1.742056051e+04 2.354495110e+04 1.06 nan 2.079074650e+04 nan 3.170768716e+04 3.157079819e+04 1.299252122e+04 2.203952240e+04 2.951677757e+04 1.630055158e+04 2.228116310e+04 1.08 2.977303449e+04 1.946143652e+04 2.626366142e+04 2.964741191e+04 2.952154917e+04 1.198876734e+04 2.096385389e+04 2.751751412e+04 1.527585557e+04 2.105493440e+04 1.10 2.744487810e+04 1.827449024e+04 2.472214768e+04 2.739158612e+04 2.733832882e+04 1.105696849e+04 1.994516237e+04 2.546050883e+04 1.430368527e+04 1.975517636e+04 1.12 2.560219648e+04 1.726326237e+04 2.331140245e+04 2.558295103e+04 2.556402378e+04 1.017974999e+04 1.896422468e+04 2.384639646e+04 1.337525519e+04 1.862645673e+04 1.14 2.400006386e+04 1.638015885e+04 2.199973038e+04 2.400207248e+04 2.400442314e+04 9.343707299e+03 1.800715664e+04 2.243613571e+04 1.248265587e+04 1.758472804e+04 1.16 2.259831831e+04 1.559721947e+04 2.076489193e+04 2.261105983e+04 2.262394244e+04 8.539381578e+03 1.705957030e+04 2.119502869e+04 1.161910280e+04 1.661410294e+04 1.18 2.136389525e+04 1.489339328e+04 1.947006870e+04 2.136858991e+04 2.137321250e+04 7.642066380e+03 1.610705118e+04 2.009266714e+04 1.071229003e+04 1.570151221e+04 1.20 2.026708500e+04 1.425107552e+04 1.846678830e+04 2.027648224e+04 2.028570814e+04 7.013807508e+03 1.523896612e+04 1.910106823e+04 9.947089595e+03 1.483607622e+04 1.22 1.928194206e+04 1.365719709e+04 1.757651128e+04 1.929509638e+04 1.930800771e+04 6.483671160e+03 1.440398688e+04 1.819708334e+04 9.237447728e+03 1.400895386e+04 1.24 1.838322602e+04 1.310003586e+04 1.677567537e+04 1.839822191e+04 1.841306887e+04 6.034907908e+03 1.359598363e+04 1.736111134e+04 8.575054398e+03 1.321143980e+04 1.26 1.755193418e+04 1.256833186e+04 1.604808934e+04 1.756722554e+04 1.758252455e+04 5.654577988e+03 1.281082610e+04 1.658008893e+04 7.952535247e+03 1.243705386e+04 1.28 1.677655694e+04 1.205362092e+04 1.538145877e+04 1.679106360e+04 1.680564848e+04 5.331634220e+03 1.204469073e+04 1.581961067e+04 7.288622540e+03 1.168184578e+04 1.30 1.604630939e+04 1.155082280e+04 1.476370026e+04 1.605912287e+04 1.607202155e+04 5.054989936e+03 1.126846950e+04 1.513084852e+04 6.761860211e+03 1.094200650e+04 1.32 1.535077514e+04 1.105575480e+04 1.418336682e+04 1.536111017e+04 1.537151008e+04 4.813992146e+03 1.047983720e+04 1.447665514e+04 6.293405334e+03 1.021403241e+04 1.34 1.467882307e+04 1.056614478e+04 1.363253658e+04 1.468631718e+04 1.469387322e+04 4.601555450e+03 9.830770716e+03 1.384690417e+04 5.874277899e+03 9.492768224e+03 1.36 1.395678881e+04 1.008021692e+04 1.310583583e+04 1.396177314e+04 1.396681823e+04 4.412840517e+03 9.235216289e+03 1.319150314e+04 5.498121794e+03 8.647862017e+03 1.38 1.335523786e+04 9.596494775e+03 1.259887872e+04 1.335857648e+04 1.336193835e+04 4.243497718e+03 8.686714432e+03 1.262540238e+04 5.158661015e+03 8.032336869e+03 1.40 1.279210658e+04 9.114349987e+03 1.210749505e+04 1.279445943e+04 1.279679043e+04 4.089301776e+03 8.178800542e+03 1.209256030e+04 4.849651916e+03 7.484630179e+03 1.42 1.226307914e+04 8.633362411e+03 1.162734581e+04 1.226481784e+04 1.226652563e+04 3.945986391e+03 7.705008093e+03 1.158837684e+04 4.564877180e+03 6.997694847e+03 1.44 1.176378018e+04 8.153092134e+03 1.115408872e+04 1.176505199e+04 1.176630757e+04 3.809307495e+03 7.258869500e+03 1.110833160e+04 4.298181480e+03 6.564520283e+03 1.46 1.128979669e+04 7.673339608e+03 1.068432868e+04 1.129064773e+04 1.129146765e+04 3.675930359e+03 6.834571338e+03 1.064868925e+04 4.045175124e+03 6.178067886e+03 1.48 1.083680875e+04 7.194021191e+03 1.021725663e+04 1.083732091e+04 1.083776964e+04 3.545048995e+03 6.427692460e+03 1.020603650e+04 3.803699158e+03 5.831292695e+03 1.50 1.040070210e+04 6.715053034e+03 9.752489549e+03 1.040096419e+04 1.040116197e+04 3.416263456e+03 6.035718186e+03 9.777366897e+03 3.571899246e+03 5.517225985e+03 1.52 9.978003536e+03 6.236325781e+03 9.289544135e+03 9.978088965e+03 9.978139719e+03 3.289148357e+03 5.659942856e+03 9.359873337e+03 3.347891532e+03 5.229237629e+03 1.54 9.566371833e+03 5.757800283e+03 8.827942203e+03 9.566376093e+03 9.566365688e+03 3.163262664e+03 5.245096911e+03 8.951466840e+03 3.129360988e+03 4.962825836e+03 1.56 9.164358832e+03 5.203941346e+03 8.367264917e+03 9.164348243e+03 9.164339236e+03 3.038190325e+03 4.913325442e+03 8.550621368e+03 2.880806911e+03 4.715158756e+03 1.58 8.770589085e+03 4.751401295e+03 7.907071776e+03 8.770585012e+03 8.770600257e+03 2.913509903e+03 4.604982482e+03 8.155915095e+03 2.686923785e+03 4.483439803e+03 1.60 8.383711750e+03 4.325780652e+03 7.447164597e+03 8.383680356e+03 8.383706924e+03 2.789025723e+03 4.316390314e+03 7.766222683e+03 2.507154093e+03 4.264868019e+03 1.62 8.002285603e+03 3.924311166e+03 6.987545122e+03 8.002219570e+03 8.002254073e+03 2.664720922e+03 4.044107563e+03 7.380488132e+03 2.340192656e+03 4.056652754e+03 1.64 7.624832245e+03 3.544770773e+03 6.527352429e+03 7.624761279e+03 7.624802284e+03 2.540594103e+03 3.785898030e+03 6.997681051e+03 2.184772001e+03 3.856044841e+03 1.66 7.249908410e+03 3.184961600e+03 5.996970374e+03 7.249868854e+03 7.249912297e+03 2.416632383e+03 3.540030680e+03 6.616799754e+03 2.039623594e+03 3.660304727e+03 1.68 6.876343800e+03 2.842723586e+03 5.568289699e+03 6.876380698e+03 6.876425473e+03 2.292840406e+03 3.304758820e+03 6.237019304e+03 1.903458299e+03 3.467105596e+03 1.70 6.503858848e+03 2.516314877e+03 5.162704041e+03 6.503970023e+03 6.504015000e+03 2.169220722e+03 3.078320920e+03 5.858095476e+03 1.774988155e+03 3.275823931e+03 1.72 6.132361916e+03 2.135978762e+03 4.778320222e+03 6.132495954e+03 6.132538205e+03 2.045726552e+03 2.859029149e+03 5.479900310e+03 1.652956874e+03 3.086210478e+03 1.74 5.761664203e+03 1.868430976e+03 4.413255735e+03 5.761797245e+03 5.761838362e+03 1.922318428e+03 2.645722638e+03 5.102291710e+03 1.536172788e+03 2.897977270e+03 1.76 5.391597108e+03 1.630939225e+03 4.065675450e+03 5.391726021e+03 5.391764686e+03 1.798977148e+03 2.437556430e+03 4.725164153e+03 1.423750307e+03 2.710841638e+03 1.78 5.022056108e+03 1.420688343e+03 3.733791334e+03 5.022160798e+03 5.022190210e+03 1.675698365e+03 2.233808449e+03 4.348427780e+03 1.315192515e+03 2.524534837e+03 1.80 4.652914516e+03 1.235114902e+03 3.415827646e+03 4.652966366e+03 4.652982270e+03 1.552491573e+03 2.007421115e+03 3.971966338e+03 1.210044786e+03 2.338780033e+03 1.82 4.283981561e+03 1.071658385e+03 3.109951659e+03 4.283996355e+03 4.284010801e+03 1.429363056e+03 1.817920416e+03 3.595682539e+03 1.107848366e+03 2.153283811e+03 1.84 3.915171299e+03 9.277734790e+02 2.814281620e+03 3.915159739e+03 3.915179424e+03 1.306282461e+03 1.636692146e+03 3.221358152e+03 1.008121720e+03 1.967906364e+03 1.86 3.546479977e+03 8.008964549e+02 2.527028998e+03 3.546443125e+03 3.546466746e+03 1.183247604e+03 1.463456619e+03 2.747796465e+03 9.103814786e+02 1.782654402e+03 1.88 3.177902289e+03 6.884485386e+02 2.247047237e+03 3.177836796e+03 3.177857604e+03 1.060272866e+03 1.297093760e+03 2.406832919e+03 8.141663983e+02 1.597537497e+03 1.90 2.819549406e+03 5.891286623e+02 1.980343342e+03 2.819465898e+03 2.819475564e+03 9.407504464e+02 1.140015802e+03 2.093813522e+03 7.215615302e+02 1.417605110e+03 1.92 2.302297922e+03 4.792777845e+02 1.613392822e+03 2.302208835e+03 2.302197436e+03 7.682911527e+02 9.352537497e+02 1.750631683e+03 5.898516848e+02 1.158303276e+03 1.94 1.989298339e+03 4.025641394e+02 1.387517968e+03 1.989212745e+03 1.989173007e+03 6.639274684e+02 8.033168876e+02 1.496614875e+03 5.096154049e+02 1.001214607e+03 1.96 1.710708865e+03 3.369182104e+02 1.188721309e+03 1.710625523e+03 1.710560291e+03 5.710358044e+02 6.870470661e+02 1.273418248e+03 4.383420337e+02 8.614152606e+02 1.98 1.464133947e+03 2.812824154e+02 1.014651426e+03 1.464066421e+03 1.463989639e+03 4.888168472e+02 5.851200192e+02 1.078505646e+03 3.753917211e+02 7.376834164e+02 2.00 1.247181349e+03 2.346055067e+02 8.629630809e+02 1.247155767e+03 1.247089095e+03 4.164753805e+02 4.962191902e+02 9.093452325e+02 3.201182626e+02 6.287979449e+02 2.02 1.057484304e+03 1.958300038e+02 7.313241519e+02 1.057507654e+03 1.057461054e+03 3.532205170e+02 4.190184619e+02 7.634153930e+02 2.718806982e+02 5.335621966e+02 2.04 8.926935361e+02 1.638755919e+02 6.174238325e+02 8.927541510e+02 8.927301444e+02 2.982665611e+02 3.523124072e+02 6.381918161e+02 2.300391192e+02 4.507992930e+02 2.06 7.504529252e+02 1.376716220e+02 5.192434002e+02 7.505264365e+02 7.505227528e+02 2.508272496e+02 2.950509335e+02 5.311587518e+02 1.939543340e+02 3.793374385e+02 2.08 6.283862468e+02 1.161457493e+02 4.351105283e+02 6.284480329e+02 6.284608592e+02 2.101083028e+02 2.462269992e+02 4.398110681e+02 1.629881565e+02 3.179886910e+02 2.10 5.240827902e+02 9.822105625e+01 3.633402778e+02 5.241275002e+02 5.241560287e+02 1.753004132e+02 2.048483806e+02 3.621701387e+02 1.365206510e+02 2.655368251e+02 2.12 4.351649131e+02 8.299972625e+01 3.022727792e+02 4.351936983e+02 4.352343616e+02 1.456088278e+02 1.699317731e+02 2.967129809e+02 1.139188862e+02 2.207937996e+02 2.14 3.592716293e+02 7.003526586e+01 2.502643100e+02 3.592910552e+02 3.593379792e+02 1.202691541e+02 1.404969237e+02 2.419341380e+02 9.459928077e+01 1.825821997e+02 2.16 2.946071374e+02 5.903455999e+01 2.060548414e+02 2.946228553e+02 2.946688357e+02 9.866322910e+01 1.157483635e+02 1.965157133e+02 7.812269543e+01 1.500110092e+02 2.18 2.401361521e+02 4.979898481e+01 1.688925715e+02 2.401429837e+02 2.401811542e+02 8.046561659e+01 9.514490396e+01 1.593910085e+02 6.422319953e+01 1.225698417e+02 2.20 1.948749055e+02 4.215162905e+01 1.380568053e+02 1.948686147e+02 1.948943624e+02 6.537040274e+01 7.815243189e+01 1.295147686e+02 5.264580259e+01 9.977074565e+01 2.22 1.578314790e+02 3.587754851e+01 1.128001995e+02 1.578133261e+02 1.578276799e+02 5.303336762e+01 6.424577286e+01 1.058444883e+02 4.313721974e+01 8.110769193e+01 2.24 1.280176367e+02 3.078648326e+01 9.241197438e+01 1.279942848e+02 1.280016881e+02 4.311785298e+01 5.297836717e+01 8.734142312e+01 3.544914191e+01 6.608251268e+01 2.26 1.044438805e+02 2.672245375e+01 7.622872858e+01 1.044275158e+02 1.044345467e+02 3.528965560e+01 4.401786426e+01 7.297124532e+01 2.933751626e+01 5.419814302e+01 2.28 8.612681108e+01 2.350153568e+01 6.359252476e+01 8.613110990e+01 8.614348964e+01 2.921767693e+01 3.698549366e+01 6.169026544e+01 2.456440983e+01 4.498174266e+01 2.30 7.209975232e+01 2.092847205e+01 5.384575487e+01 7.213138086e+01 7.215143460e+01 2.457574218e+01 3.154189985e+01 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