# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-31 # implementation = 2016--Borovikov-V--fictional-Cu-31--LAMMPS--ipr1 # composition = Cu # 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 3.172317140e+05 nan 0.78 nan nan nan nan nan nan nan nan 2.735460737e+05 nan 0.80 nan nan nan nan nan nan nan nan 2.341346538e+05 nan 0.82 nan nan nan nan nan 1.378122557e+05 nan nan 1.984896241e+05 nan 0.84 nan nan nan nan nan 1.097783960e+05 nan nan 1.661720045e+05 nan 0.86 nan nan nan nan nan 8.430519711e+04 nan nan 1.368028217e+05 nan 0.88 nan nan nan nan nan 6.220138734e+04 nan nan 1.100538920e+05 nan 0.90 nan nan nan nan nan 4.593736778e+04 nan nan 8.564038016e+04 nan 0.92 nan nan nan 3.551667657e+05 3.551683079e+05 3.408104143e+04 nan nan 6.410824764e+04 1.735393883e+05 0.94 nan 1.459988047e+05 nan 3.163632909e+05 3.163645528e+05 2.539430437e+04 1.518822036e+05 nan 4.794501545e+04 1.461455898e+05 0.96 nan 1.208462832e+05 nan 2.807356885e+05 2.807362714e+05 1.899925125e+04 1.263746931e+05 nan 3.600208521e+04 1.209971168e+05 0.98 nan 9.771372656e+04 nan 2.479665295e+05 2.479664409e+05 1.426983214e+04 1.029164924e+05 nan 2.713687394e+04 9.786858440e+04 1.00 nan 7.640294862e+04 nan 2.177758646e+05 2.177754790e+05 1.075710960e+04 8.130624839e+04 nan 2.052779498e+04 7.656141186e+04 1.02 nan 5.851819322e+04 nan 1.899147359e+05 1.899144874e+05 8.137252756e+03 6.240975335e+04 nan 1.558047328e+04 5.865435510e+04 1.04 nan 4.497304116e+04 1.292025643e+05 1.641620181e+05 1.641621009e+05 6.175800895e+03 4.799239844e+04 1.396136798e+05 1.186274756e+04 4.509028625e+04 1.06 1.403203073e+05 3.467412223e+04 1.073131084e+05 1.403222790e+05 1.403226167e+05 4.702228849e+03 3.702533698e+04 1.171436090e+05 9.058973221e+03 3.477589498e+04 1.08 1.182196970e+05 2.681411325e+04 8.702274859e+04 1.182217858e+05 1.182221531e+05 3.591563720e+03 2.865146011e+04 9.631458765e+04 6.937274725e+03 2.690331067e+04 1.10 9.770462962e+04 2.079425082e+04 6.849530344e+04 9.770575559e+04 9.770600336e+04 2.751780647e+03 2.223498445e+04 7.698003165e+04 5.326531542e+03 2.087310738e+04 1.12 7.863581975e+04 1.616831817e+04 5.370451801e+04 7.863561140e+04 7.863573231e+04 2.114883746e+03 1.730191613e+04 6.040272408e+04 4.099935596e+03 1.623864524e+04 1.14 6.199764823e+04 1.260233041e+04 4.222601078e+04 6.199669774e+04 6.199673226e+04 1.630397577e+03 1.349732054e+04 4.752749366e+04 3.163148336e+03 1.266557430e+04 1.16 4.899450751e+04 9.845239926e+03 3.328872848e+04 4.899363224e+04 4.899367531e+04 1.260759331e+03 1.055427327e+04 3.749661985e+04 2.445726955e+03 9.902463770e+03 1.18 3.881877810e+04 7.707589689e+03 2.630837493e+04 3.881835331e+04 3.881847542e+04 9.779329458e+02 8.271203250e+03 2.965736604e+04 1.894881108e+03 7.759585977e+03 1.20 3.083168648e+04 6.045815113e+03 2.084030556e+04 3.083175708e+04 3.083196319e+04 7.609194617e+02 6.495335055e+03 2.351277854e+04 1.470913669e+03 6.093270832e+03 1.22 2.454450367e+04 4.750764712e+03 1.654492132e+04 2.454490498e+04 2.454515793e+04 5.939433012e+02 5.110497227e+03 1.868297043e+04 1.143865023e+03 4.794277128e+03 1.24 1.958191715e+04 3.739175928e+03 1.316180832e+04 1.958241749e+04 1.958266749e+04 4.651195666e+02 4.028054591e+03 1.487640753e+04 8.910547825e+02 3.779206964e+03 1.26 1.565460359e+04 2.947308384e+03 1.049053975e+04 1.565505658e+04 1.565527759e+04 3.654636087e+02 3.180115795e+03 1.186862259e+04 6.952518310e+02 2.984149687e+03 1.28 1.253891084e+04 2.326188641e+03 8.376343444e+03 1.253923966e+04 1.253941959e+04 2.881599354e+02 2.514492080e+03 9.486265212e+03 5.433271492e+02 2.360039228e+03 1.30 1.006129346e+04 1.838080518e+03 6.699318301e+03 1.006149538e+04 1.006163727e+04 2.280333753e+02 1.990949011e+03 7.594991611e+03 4.252528560e+02 1.869112681e+03 1.32 8.086680865e+03 1.453840734e+03 5.366262728e+03 8.086793860e+03 8.086913456e+03 1.811324343e+02 1.578385920e+03 6.090342196e+03 3.333446440e+02 1.482221306e+03 1.34 6.509641774e+03 1.150896517e+03 4.304512310e+03 6.509710319e+03 6.509821833e+03 1.444166553e+02 1.252701054e+03 4.890854581e+03 2.616858278e+02 1.176794315e+03 1.36 5.247624636e+03 9.117125597e+02 3.457277432e+03 5.247684902e+03 5.247793882e+03 1.155718822e+02 9.951792229e+02 3.932821305e+03 2.057270440e+02 9.352968792e+02 1.38 4.235820826e+03 7.226302584e+02 2.780054091e+03 4.235887475e+03 4.235990311e+03 9.283227961e+01 7.912533273e+02 3.166279311e+03 1.619628097e+02 7.440692510e+02 1.40 3.423212223e+03 5.729826817e+02 2.237859149e+03 3.423279475e+03 3.423369000e+03 7.484480514e+01 6.295535876e+02 2.551938359e+03 1.276853033e+02 5.924433013e+02 1.42 2.769518368e+03 4.544233138e+02 1.803118816e+03 2.769577173e+03 2.769648244e+03 6.056699882e+01 5.011832519e+02 2.058817279e+03 1.008009337e+02 4.720705164e+02 1.44 2.242859019e+03 3.604114872e+02 1.454041184e+03 2.242905136e+03 2.242955268e+03 4.919028991e+01 3.991646346e+02 1.662427441e+03 7.968233063e+01 3.764058386e+02 1.46 1.817943122e+03 2.858106726e+02 1.173369952e+03 1.817975407e+03 1.818003871e+03 4.008499894e+01 3.180195045e+02 1.343367973e+03 6.305501343e+01 3.003050262e+02 1.48 1.474661900e+03 2.265764624e+02 9.474210156e+02 1.474679401e+03 1.474687187e+03 3.276315036e+01 2.534172545e+02 1.086235465e+03 4.993332618e+01 2.397154084e+02 1.50 1.196994437e+03 1.795175777e+02 7.653209220e+02 1.196996996e+03 1.196986866e+03 2.684799422e+01 2.019413623e+02 8.787770925e+02 3.955419286e+01 1.914428355e+02 1.52 9.721476281e+02 1.421157138e+02 6.184091601e+02 9.721356715e+02 9.721113863e+02 2.204557308e+01 1.608956683e+02 7.112231825e+02 3.132542069e+01 1.529550829e+02 1.54 7.898793870e+02 1.123814201e+02 4.997758249e+02 7.898539533e+02 7.898201262e+02 1.812601154e+01 1.281476220e+02 5.757641566e+02 2.478565127e+01 1.222291971e+02 1.56 6.419834456e+02 8.873939667e+01 4.038994490e+02 6.419469312e+02 6.419083895e+02 1.490984351e+01 1.020070456e+02 4.661536723e+02 1.957468173e+01 9.766851688e+01 1.58 5.218715134e+02 6.994171679e+01 3.263629606e+02 5.218277548e+02 5.217889212e+02 1.225725649e+01 8.113232002e+01 3.773882304e+02 1.541163001e+01 7.801141768e+01 1.60 4.242425862e+02 5.499802410e+01 2.636273706e+02 4.241972139e+02 4.241619673e+02 1.005936172e+01 6.445669790e+01 3.054530101e+02 1.207732749e+01 6.225990796e+01 1.62 3.448274196e+02 4.312098104e+01 2.128508817e+02 3.447863691e+02 3.447576906e+02 8.230935109e+00 5.113091348e+01 2.471245341e+02 9.400004890e+00 4.962405665e+01 1.64 2.801883183e+02 3.368455744e+01 1.717454168e+02 2.801562476e+02 2.801357245e+02 6.704145481e+00 4.047805785e+01 1.998113387e+02 7.244461250e+00 3.947817666e+01 1.66 2.275531248e+02 2.619059909e+01 1.384649018e+02 2.275325184e+02 2.275203022e+02 5.423721731e+00 3.195790371e+01 1.614240697e+02 5.503684432e+00 3.132500523e+01 1.68 1.846804079e+02 2.024211103e+01 1.115174787e+02 1.846713043e+02 1.846665069e+02 4.343776842e+00 2.513909536e+01 1.302752434e+02 4.092653596e+00 2.476791217e+01 1.70 1.497540261e+02 1.552264197e+01 8.969626317e+01 1.497546114e+02 1.497557019e+02 3.426121785e+00 1.967981614e+01 1.049997851e+02 2.943594686e+00 1.949008289e+01 1.72 1.212994555e+02 1.178052834e+01 7.202549956e+01 1.213071233e+02 1.213123459e+02 2.640109041e+00 1.530364236e+01 8.449200776e+01 2.003769188e+00 1.523822910e+01 1.74 9.811801489e+01 8.819101919e+00 5.771785888e+01 9.813034920e+01 9.813824650e+01 1.963020681e+00 1.178854440e+01 6.785567781e+01 1.232661032e+00 1.180959303e+01 1.76 7.923428573e+01 6.472930444e+00 4.613699695e+01 7.924961050e+01 7.925933398e+01 1.377551943e+00 8.959846708e+00 5.436398391e+01 5.951656780e-01 9.041802890e+00 1.78 6.385422869e+01 4.610117430e+00 3.676684781e+01 6.387169067e+01 6.388294962e+01 8.695253263e-01 6.679889043e+00 4.342721498e+01 6.459337713e-02 6.805019850e+00 1.80 5.133153038e+01 3.128007165e+00 2.918836306e+01 5.135071112e+01 5.136348639e+01 4.273158619e-01 4.839950074e+00 3.456639191e+01 -3.793982249e-01 4.995638245e+00 1.82 4.114019054e+01 1.946300216e+00 2.306137216e+01 4.116051871e+01 4.117476448e+01 4.148174966e-02 3.353820185e+00 2.739201774e+01 -7.527407486e-01 3.531090206e+00 1.84 3.285174624e+01 1.001800449e+00 1.811354830e+01 3.287220866e+01 3.288768659e+01 -2.955979627e-01 2.152737026e+00 2.158685032e+01 -1.068402357e+00 2.345483064e+00 1.86 2.611597161e+01 2.447225180e-01 1.411806328e+01 2.613545566e+01 2.615179377e+01 -5.900984375e-01 1.181414137e+00 1.689231808e+01 -1.337123969e+00 1.386052043e+00 1.88 2.064608899e+01 -3.641169135e-01 1.088840221e+01 2.066379978e+01 2.068061437e+01 -8.470772275e-01 3.950356493e-01 1.309802080e+01 -1.567418611e+00 6.102856974e-01 1.90 1.620727002e+01 -8.520761264e-01 8.275202874e+00 1.622284597e+01 1.623976260e+01 -1.070711020e+00 -2.428638688e-01 1.003307346e+01 -1.765356443e+00 -1.644297227e-02 1.92 1.260719139e+01 -1.246435651e+00 6.158681945e+00 1.262066662e+01 1.263729490e+01 -1.264488753e+00 -7.615594491e-01 7.558540291e+00 -1.935448118e+00 -5.227975061e-01 1.94 9.688325550e+00 -1.571200484e+00 4.442673936e+00 9.700046027e+00 9.715980556e+00 -1.431458834e+00 -1.183733018e+00 5.561413782e+00 -2.081395466e+00 -9.328454380e-01 1.96 7.321860071e+00 -1.843603612e+00 3.049678736e+00 7.332255793e+00 7.347071101e+00 -1.574490175e+00 -1.527308629e+00 3.949793579e+00 -2.206212136e+00 -1.266737154e+00 1.98 5.402960533e+00 -2.075872977e+00 1.917271208e+00 5.412325624e+00 5.425578507e+00 -1.696260416e+00 -1.806911391e+00 2.649147263e+00 -2.312299520e+00 -1.540722111e+00 2.00 3.847024546e+00 -2.276584219e+00 9.952599885e-01 3.855419161e+00 3.866687992e+00 -1.799203241e+00 -2.033437934e+00 1.599549174e+00 -2.401576376e+00 -1.766817964e+00 2.02 2.585857192e+00 -2.451682956e+00 2.433069983e-01 2.593147522e+00 2.602104373e+00 -1.885548592e+00 -2.217008915e+00 7.529175618e-01 -2.475628956e+00 -1.953808686e+00 2.04 1.564025349e+00 -2.605243341e+00 -3.710232238e-01 1.570006085e+00 1.576491230e+00 -1.957546144e+00 -2.366808500e+00 7.047832192e-02 -2.535827022e+00 -2.108870473e+00 2.06 7.364399674e-01 -2.740007283e+00 -8.737596509e-01 7.408964158e-01 7.449019286e-01 -2.016808006e+00 -2.489637771e+00 -4.749403784e-01 -2.583341555e+00 -2.237854851e+00 2.08 6.646506819e-02 -2.857810609e+00 -1.285724729e+00 6.919838920e-02 7.081120347e-02 -2.063418137e+00 -2.590443390e+00 -9.123888988e-01 -2.619157341e+00 -2.345409999e+00 2.10 -4.756323908e-01 -2.959921278e+00 -1.623528724e+00 -4.747871219e-01 -4.754254837e-01 -2.097637440e+00 -2.672782187e+00 -1.268019855e+00 -2.644229932e+00 -2.435107100e+00 2.12 -9.085786050e-01 -3.046576623e+00 -1.896875278e+00 -9.097482328e-01 -9.124706347e-01 -2.119182439e+00 -2.737475878e+00 -1.559577706e+00 -2.658380473e+00 -2.506892644e+00 2.14 -1.254359310e+00 -3.118901765e+00 -2.118114233e+00 -1.257619772e+00 -1.262253859e+00 -2.131271864e+00 -2.787438842e+00 -1.802275100e+00 -2.662868644e+00 -2.563864581e+00 2.16 -1.536953068e+00 -3.178762985e+00 -2.301383886e+00 -1.542314105e+00 -1.548696793e+00 -2.139277401e+00 -2.827186899e+00 -2.009297357e+00 -2.659158463e+00 -2.611387859e+00 2.18 -1.773646562e+00 -3.227608332e+00 -2.456685424e+00 -1.781017260e+00 -1.788979935e+00 -2.146525830e+00 -2.859789345e+00 -2.189716692e+00 -2.648368175e+00 -2.652626601e+00 2.20 -1.976823564e+00 -3.266657676e+00 -2.590907359e+00 -1.985950646e+00 -1.995261086e+00 -2.154569762e+00 -2.887279695e+00 -2.349682130e+00 -2.632381899e+00 -2.689400912e+00 2.22 -2.155144898e+00 -3.297008148e+00 -2.708651554e+00 -2.165602864e+00 -2.175937404e+00 -2.163739683e+00 -2.910977173e+00 -2.493243740e+00 -2.613656208e+00 -2.722626386e+00 2.24 -2.314441486e+00 -3.319679562e+00 -2.812888869e+00 -2.325683076e+00 -2.336634662e+00 -2.173608978e+00 -2.931646709e+00 -2.622970635e+00 -2.594642832e+00 -2.752608824e+00 2.26 -2.458453164e+00 -3.335594905e+00 -2.905472019e+00 -2.469888678e+00 -2.480995723e+00 -2.183520678e+00 -2.949467134e+00 -2.740451668e+00 -2.576823610e+00 -2.779277961e+00 2.28 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