# 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--ipr1 # composition = U # 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 6.589610214e+02 nan 0.80 nan nan nan nan nan nan nan nan 6.024246200e+02 nan 0.82 nan nan nan nan nan nan nan nan 5.529155274e+02 nan 0.84 nan nan nan nan nan 4.591455542e+02 nan nan 5.103106274e+02 nan 0.86 nan nan nan nan nan 4.326645601e+02 nan nan 4.739020632e+02 nan 0.88 nan nan nan nan nan 4.084046649e+02 nan nan 4.428180932e+02 nan 0.90 nan nan nan nan nan 3.855185034e+02 nan nan 4.153742355e+02 nan 0.92 nan nan nan nan nan 3.622856420e+02 nan nan 3.906835322e+02 nan 0.94 nan nan nan 7.362634286e+02 7.396665559e+02 3.388431090e+02 nan nan 3.681408670e+02 4.862428765e+02 0.96 nan 4.743084073e+02 nan 6.919675782e+02 6.938826288e+02 3.155201341e+02 4.530298995e+02 nan 3.471760370e+02 4.572280817e+02 0.98 nan 4.388820980e+02 nan 6.503620504e+02 6.504619904e+02 2.932743118e+02 4.247561837e+02 nan 3.275723640e+02 4.314950637e+02 1.00 nan 4.051391318e+02 nan 6.092700004e+02 6.079621510e+02 2.729663148e+02 4.002219318e+02 nan 3.095482999e+02 4.073849850e+02 1.02 nan 3.737582119e+02 nan 5.691873455e+02 5.672128931e+02 2.539381865e+02 3.785166757e+02 nan 2.927265098e+02 3.847052522e+02 1.04 nan 3.455606519e+02 nan 5.306428956e+02 5.287281725e+02 2.362980063e+02 3.591484784e+02 nan 2.770282625e+02 3.633200338e+02 1.06 nan 3.207589584e+02 nan 4.937035503e+02 4.922880650e+02 2.190316857e+02 3.414510036e+02 4.576705861e+02 2.616819967e+02 3.433268283e+02 1.08 4.593588517e+02 2.992478562e+02 4.121430374e+02 4.588436634e+02 4.580781491e+02 2.019767268e+02 3.249416220e+02 4.250039477e+02 2.467491041e+02 3.249911768e+02 1.10 4.267229538e+02 2.807544598e+02 3.856857284e+02 4.267331999e+02 4.264796533e+02 1.852422554e+02 3.096104435e+02 3.961915539e+02 2.324201760e+02 3.081789891e+02 1.12 3.982849586e+02 2.648913172e+02 3.611715074e+02 3.983085958e+02 3.983799565e+02 1.689713017e+02 2.954149690e+02 3.711481092e+02 2.182014613e+02 2.927640345e+02 1.14 3.737772962e+02 2.511212836e+02 3.384560126e+02 3.736287238e+02 3.738134917e+02 1.535271715e+02 2.816143049e+02 3.493490143e+02 2.044227042e+02 2.789854401e+02 1.16 3.523105391e+02 2.391662065e+02 3.175952465e+02 3.520816335e+02 3.521998909e+02 1.392655131e+02 2.685065959e+02 3.300626129e+02 1.908189302e+02 2.666842647e+02 1.18 3.330814106e+02 2.286802602e+02 2.991495875e+02 3.328079032e+02 3.327967832e+02 1.266281707e+02 2.555041178e+02 3.125926686e+02 1.775892029e+02 2.543968418e+02 1.20 3.160437859e+02 2.193311799e+02 2.830021872e+02 3.158248587e+02 3.157292008e+02 1.158399451e+02 2.425766327e+02 2.967804236e+02 1.649824565e+02 2.424719731e+02 1.22 3.002673912e+02 2.107026298e+02 2.685843261e+02 3.003303699e+02 3.001994630e+02 1.064896067e+02 2.296893209e+02 2.820715347e+02 1.531075072e+02 2.301119910e+02 1.24 2.855055732e+02 2.027704675e+02 2.557896364e+02 2.858074962e+02 2.857045544e+02 9.831724706e+01 2.169316386e+02 2.683258543e+02 1.420272522e+02 2.173014906e+02 1.26 2.715980158e+02 1.955377588e+02 2.444350932e+02 2.719559009e+02 2.719535799e+02 9.127250128e+01 2.046169039e+02 2.554060198e+02 1.318254962e+02 2.042500392e+02 1.28 2.584806395e+02 1.890089487e+02 2.343011689e+02 2.587972126e+02 2.589317869e+02 8.529472693e+01 1.929871349e+02 2.432569173e+02 1.226000148e+02 1.911602401e+02 1.30 2.462110428e+02 1.829345749e+02 2.253618948e+02 2.464109026e+02 2.466255301e+02 8.023076668e+01 1.821880298e+02 2.319487697e+02 1.144301046e+02 1.781576625e+02 1.32 2.347105408e+02 1.771221179e+02 2.175705023e+02 2.348028260e+02 2.350275889e+02 7.597130123e+01 1.722845484e+02 2.215190827e+02 1.072353842e+02 1.654867943e+02 1.34 2.240831005e+02 1.715823097e+02 2.105642493e+02 2.240641724e+02 2.242720251e+02 7.236302969e+01 1.628878478e+02 2.119290950e+02 1.008571577e+02 1.535260968e+02 1.36 2.143570757e+02 1.658138677e+02 2.040152708e+02 2.142715181e+02 2.144519563e+02 6.922880827e+01 1.542301953e+02 2.031348329e+02 9.486742322e+01 1.426374065e+02 1.38 2.054226087e+02 1.601082617e+02 1.977452586e+02 2.053867988e+02 2.055332368e+02 6.640978313e+01 1.459654473e+02 1.950984328e+02 8.940779958e+01 1.330275328e+02 1.40 1.972037253e+02 1.542019223e+02 1.918101773e+02 1.972939059e+02 1.973886738e+02 6.384661576e+01 1.381148178e+02 1.877807672e+02 8.424200978e+01 1.245996035e+02 1.42 1.897859767e+02 1.481304691e+02 1.861863635e+02 1.899198604e+02 1.899416188e+02 6.152449886e+01 1.306988761e+02 1.811777538e+02 7.936011648e+01 1.171542161e+02 1.44 1.831617456e+02 1.418384545e+02 1.803809548e+02 1.832185414e+02 1.831699024e+02 5.941314589e+01 1.236404208e+02 1.751641820e+02 7.471103693e+01 1.104925380e+02 1.46 1.771560641e+02 1.352994130e+02 1.746213776e+02 1.771286090e+02 1.770447367e+02 5.737673868e+01 1.168942569e+02 1.695918740e+02 7.027820243e+01 1.044555704e+02 1.48 1.716479051e+02 1.283778918e+02 1.685638669e+02 1.715851277e+02 1.715043880e+02 5.536879186e+01 1.104395522e+02 1.643556496e+02 6.606572933e+01 9.897051215e+01 1.50 1.665274215e+02 1.213840245e+02 1.623824416e+02 1.664526993e+02 1.663894513e+02 5.345782911e+01 1.042685935e+02 1.593761400e+02 6.205602939e+01 9.401599453e+01 1.52 1.616960391e+02 1.141214485e+02 1.561851462e+02 1.616121470e+02 1.615576337e+02 5.169648724e+01 9.845437441e+01 1.545950068e+02 5.821174445e+01 8.957832906e+01 1.54 1.569578953e+02 1.065178053e+02 1.499443933e+02 1.569149364e+02 1.568684343e+02 5.007884038e+01 9.309723893e+01 1.499376834e+02 5.457878033e+01 8.557741265e+01 1.56 1.522424632e+02 9.877123757e+01 1.436033936e+02 1.522980335e+02 1.522782851e+02 4.858113936e+01 8.815802270e+01 1.453845352e+02 5.123358765e+01 8.202003215e+01 1.58 1.476194025e+02 9.117079916e+01 1.370898623e+02 1.477758363e+02 1.477905397e+02 4.714217473e+01 8.364820105e+01 1.409754708e+02 4.818758065e+01 7.882769371e+01 1.60 1.432302106e+02 8.385496022e+01 1.304822194e+02 1.433975213e+02 1.434278819e+02 4.573471815e+01 7.943502051e+01 1.367899743e+02 4.540946676e+01 7.588885314e+01 1.62 1.391136073e+02 7.681261199e+01 1.239546895e+02 1.391944695e+02 1.392329467e+02 4.434246883e+01 7.541739227e+01 1.320547792e+02 4.289119363e+01 7.310375517e+01 1.64 1.351496533e+02 7.004879628e+01 1.176436207e+02 1.351268140e+02 1.351811709e+02 4.295254166e+01 7.156790953e+01 1.275211756e+02 4.062332911e+01 7.046064406e+01 1.66 1.304904253e+02 6.352325278e+01 1.111475393e+02 1.304138895e+02 1.304921044e+02 4.130475916e+01 6.764915382e+01 1.223955261e+02 3.839821606e+01 6.759755230e+01 1.68 1.260457752e+02 5.747077211e+01 1.052571638e+02 1.260119397e+02 1.261201980e+02 3.976248096e+01 6.398775018e+01 1.169596247e+02 3.640641483e+01 6.493282999e+01 1.70 1.210805120e+02 5.189398473e+01 9.948921921e+01 1.211281265e+02 1.212593736e+02 3.811187900e+01 6.028216957e+01 1.110346235e+02 3.439862732e+01 6.205685228e+01 1.72 1.156502199e+02 4.679897598e+01 9.372014775e+01 1.157301748e+02 1.158594929e+02 3.632424098e+01 5.649097126e+01 1.047070804e+02 3.235082311e+01 5.899469525e+01 1.74 1.097564340e+02 4.214873331e+01 8.782004357e+01 1.098194663e+02 1.099193849e+02 3.435955056e+01 5.259154824e+01 9.803214088e+01 3.025566726e+01 5.576951819e+01 1.76 1.034401667e+02 3.785882269e+01 8.177148076e+01 1.034689911e+02 1.035195288e+02 3.221760521e+01 4.861962210e+01 9.109275834e+01 2.810590914e+01 5.241202135e+01 1.78 9.679482833e+01 3.386395901e+01 7.564038246e+01 9.678133351e+01 9.677028277e+01 2.992534949e+01 4.466455000e+01 8.399519869e+01 2.591613823e+01 4.894401327e+01 1.80 8.990226824e+01 3.013985311e+01 6.954735258e+01 8.985878015e+01 8.979161673e+01 2.754048380e+01 4.081809618e+01 7.684792715e+01 2.372724733e+01 4.537438564e+01 1.82 8.283067776e+01 2.669645016e+01 6.356406702e+01 8.280939959e+01 8.271457456e+01 2.512348890e+01 3.712904053e+01 6.979804027e+01 2.157394778e+01 4.171599844e+01 1.84 7.571903054e+01 2.356360259e+01 5.770088993e+01 7.574095095e+01 7.564465396e+01 2.269093455e+01 3.360387860e+01 6.299678608e+01 1.946271427e+01 3.803890051e+01 1.86 6.872868362e+01 2.074718364e+01 5.199663584e+01 6.877812922e+01 6.869861754e+01 2.027217333e+01 3.024846897e+01 5.656599352e+01 1.738946954e+01 3.443207005e+01 1.88 6.199463991e+01 1.822711927e+01 4.653310193e+01 6.203820616e+01 6.198622695e+01 1.791976110e+01 2.707126048e+01 5.060427163e+01 1.537747413e+01 3.096059363e+01 1.90 5.559588084e+01 1.597500137e+01 4.140226136e+01 5.562171591e+01 5.559836807e+01 1.568622270e+01 2.409139382e+01 4.513200049e+01 1.346625910e+01 2.764164845e+01 1.92 4.965176482e+01 1.395751992e+01 3.669052998e+01 4.965234232e+01 4.964406553e+01 1.361645762e+01 2.134120192e+01 4.015657872e+01 1.169640932e+01 2.453579710e+01 1.94 4.429229385e+01 1.214370559e+01 3.247392156e+01 4.424669525e+01 4.422735730e+01 1.175310177e+01 1.884679386e+01 3.569051113e+01 1.009846321e+01 2.172515393e+01 1.96 3.951642651e+01 1.049719721e+01 2.874323236e+01 3.940036701e+01 3.935363991e+01 1.010224275e+01 1.659603685e+01 3.168717343e+01 8.668810294e+00 1.922166277e+01 1.98 3.523753695e+01 9.002467886e+00 2.544934880e+01 3.506010725e+01 3.498970901e+01 8.649996273e+00 1.458003230e+01 2.808036422e+01 7.391774984e+00 1.698124401e+01 2.00 3.135502236e+01 7.658656218e+00 2.253534389e+01 3.116784165e+01 3.109672031e+01 7.375699435e+00 1.279372173e+01 2.480850295e+01 6.245818716e+00 1.494522907e+01 2.02 2.781030331e+01 6.475749703e+00 1.995874652e+01 2.766885061e+01 2.761677423e+01 6.266042420e+00 1.121419203e+01 2.184510775e+01 5.212699006e+00 1.309045111e+01 2.04 2.458597439e+01 5.447402319e+00 1.770133283e+01 2.452231168e+01 2.450051707e+01 5.320520979e+00 9.804330815e+00 1.917800870e+01 4.282536527e+00 1.142200973e+01 2.06 2.168711768e+01 4.570337132e+00 1.574075586e+01 2.170144825e+01 2.171137599e+01 4.532497033e+00 8.538048914e+00 1.680504105e+01 3.448934609e+00 9.945912306e+00 2.08 1.910608976e+01 3.832339480e+00 1.402825794e+01 1.917378219e+01 1.921014326e+01 3.871973492e+00 7.394508164e+00 1.470133611e+01 2.703991494e+00 8.648528137e+00 2.10 1.678964121e+01 3.207156817e+00 1.247774472e+01 1.689231708e+01 1.695206175e+01 3.285349023e+00 6.348828568e+00 1.283284960e+01 2.038472845e+00 7.477102084e+00 2.12 1.471082583e+01 2.673765594e+00 1.103332163e+01 1.483523194e+01 1.491415906e+01 2.732087870e+00 5.387707412e+00 1.118560352e+01 1.448637558e+00 6.400911313e+00 2.14 1.284617912e+01 2.216263246e+00 9.658344562e+00 1.298507647e+01 1.307667954e+01 2.187715170e+00 4.508879009e+00 9.740143222e+00 9.340839587e-01 5.398763396e+00 2.16 1.118435461e+01 1.825135940e+00 8.362427112e+00 1.133202110e+01 1.142780875e+01 1.662384504e+00 3.709148550e+00 8.479340698e+00 4.876299371e-01 4.465526768e+00 2.18 9.730791603e+00 1.481396144e+00 7.172242512e+00 9.866943386e+00 9.956549018e+00 1.169780480e+00 2.989149678e+00 7.382436167e+00 -2.539118705e-02 3.605506430e+00 2.20 8.487209248e+00 1.165774880e+00 6.109882641e+00 8.586652807e+00 8.658044756e+00 5.215265081e-01 2.337688482e+00 6.426187698e+00 -4.988240338e-01 2.823756450e+00 2.22 7.424915389e+00 8.578542404e-01 5.166725505e+00 7.471056229e+00 7.517443173e+00 -4.343386856e-02 1.747997729e+00 5.585847920e+00 -9.371843897e-01 2.116244365e+00 2.24 6.508698696e+00 5.502329133e-01 4.343568979e+00 6.498546443e+00 6.518362972e+00 -5.194145413e-01 1.219152890e+00 4.835677998e+00 -1.348326888e+00 1.484336568e+00 2.26 5.695261030e+00 2.522873128e-01 3.638321728e+00 5.641713990e+00 5.637624657e+00 -9.029536271e-01 7.504021868e-01 4.161614579e+00 -1.733866749e+00 9.283245517e-01 2.28 4.946053225e+00 -2.865982260e-02 3.036298022e+00 4.873815456e+00 4.850606377e+00 -1.205672485e+00 3.391611360e-01 3.546279388e+00 -2.082447065e+00 4.468590733e-01 2.30 4.260882328e+00 -2.920952700e-01 2.521159110e+00 4.190476703e+00 4.150512662e+00 -1.438154744e+00 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