# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Co # implementation = 2017--Kim-J-S--Pt-Co--LAMMPS--ipr1 # composition = Co3Pt # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 2.068289679e+02 nan nan 0.86 1.988818169e+02 nan nan 0.88 1.909057744e+02 nan nan 0.90 1.829445565e+02 nan nan 0.92 1.750361699e+02 1.597418191e+02 nan 0.94 1.672134665e+02 1.537577489e+02 2.680208420e+02 0.96 1.595046504e+02 1.478030249e+02 2.575947264e+02 0.98 1.519337417e+02 1.418983676e+02 2.472964837e+02 1.00 1.445210002e+02 1.360619014e+02 2.371525580e+02 1.02 1.372833127e+02 1.303093855e+02 2.271857119e+02 1.04 1.302345456e+02 1.246544273e+02 2.174153664e+02 1.06 1.233858675e+02 1.191086791e+02 2.078579150e+02 1.08 1.167460420e+02 1.136820193e+02 1.985270117e+02 1.10 1.103216948e+02 1.083827193e+02 1.894338375e+02 1.12 1.041175564e+02 1.032175981e+02 1.805873441e+02 1.14 9.813668231e+01 9.819216293e+01 1.719944790e+02 1.16 9.238065367e+01 9.331074016e+01 1.636603913e+02 1.18 8.684975820e+01 8.857659458e+01 1.555886209e+02 1.20 8.154315440e+01 8.399203938e+01 1.477812720e+02 1.22 7.645902021e+01 7.955853683e+01 1.402391716e+02 1.24 7.159468686e+01 7.527679074e+01 1.329620148e+02 1.26 6.694675993e+01 7.114683099e+01 1.259484972e+02 1.28 6.251122802e+01 6.716809091e+01 1.191964360e+02 1.30 5.828356067e+01 6.333947809e+01 1.127028805e+02 1.32 5.425879600e+01 5.965943888e+01 1.064642125e+02 1.34 5.043161936e+01 5.612601733e+01 1.004762373e+02 1.36 4.679643343e+01 5.273690880e+01 9.473426710e+01 1.38 4.334742083e+01 4.948950878e+01 8.923319609e+01 1.40 4.007859969e+01 4.638095718e+01 8.396756822e+01 1.42 3.698387294e+01 4.340817853e+01 7.893163894e+01 1.44 3.405707186e+01 4.056791837e+01 7.411943057e+01 1.46 3.129199441e+01 3.785677617e+01 6.952478221e+01 1.48 2.868243885e+01 3.527123495e+01 6.514139454e+01 1.50 2.622223307e+01 3.280768803e+01 6.096286998e+01 1.52 2.390526004e+01 3.046246301e+01 5.698274852e+01 1.54 2.172547982e+01 2.823184325e+01 5.319453970e+01 1.56 1.967694835e+01 2.611208708e+01 4.959175092e+01 1.58 1.775383343e+01 2.409944489e+01 4.616791256e+01 1.60 1.595042819e+01 2.219017432e+01 4.291660002e+01 1.62 1.426116219e+01 2.038055366e+01 3.983145312e+01 1.64 1.268061055e+01 1.866689363e+01 3.690619296e+01 1.66 1.120350119e+01 1.704554778e+01 3.413463651e+01 1.68 9.824720503e+00 1.551292143e+01 3.151070919e+01 1.70 8.539317470e+00 1.406547947e+01 2.902845558e+01 1.72 7.342506615e+00 1.269975304e+01 2.668204841e+01 1.74 6.229669732e+00 1.141234516e+01 2.446579606e+01 1.76 5.196356649e+00 1.019993551e+01 2.237414864e+01 1.78 4.238285101e+00 9.059284342e+00 2.040170289e+01 1.80 3.351339849e+00 7.987235637e+00 1.854320593e+01 1.82 2.531571116e+00 6.980719633e+00 1.679355798e+01 1.84 1.775192469e+00 6.036754703e+00 1.514781426e+01 1.86 1.078578190e+00 5.152448706e+00 1.360118601e+01 1.88 4.382602430e-01 4.324999858e+00 1.214904086e+01 1.90 -1.490751174e-01 3.551697149e+00 1.078690254e+01 1.92 -6.865910266e-01 2.829920391e+00 9.510450050e+00 1.94 -1.177303929e+00 2.157139912e+00 8.315516324e+00 1.96 -1.624087685e+00 1.530915949e+00 7.198086476e+00 1.98 -2.029677832e+00 9.488977756e-01 6.154295680e+00 2.00 -2.396675942e+00 4.088225946e-01 5.180426718e+00 2.02 -2.727554069e+00 -9.148577057e-02 4.272907264e+00 2.04 -3.024659234e+00 -5.541183613e-01 3.428306923e+00 2.06 -3.290217931e+00 -9.810827172e-01 2.643334081e+00 2.08 -3.526340629e+00 -1.374304637e+00 1.914832599e+00 2.10 -3.735026255e+00 -1.735630047e+00 1.239778364e+00 2.12 -3.918166629e+00 -2.066826951e+00 6.152757480e-01 2.14 -4.077550851e+00 -2.369587462e+00 3.855398184e-02 2.16 -4.214869611e+00 -2.645529873e+00 -4.930365201e-01 2.18 -4.331719429e+00 -2.896200783e+00 -9.820278755e-01 2.20 -4.429606795e+00 -3.123077241e+00 -1.430838466e+00 2.22 -4.509952222e+00 -3.327568919e+00 -1.841776670e+00 2.24 -4.574094192e+00 -3.511020278e+00 -2.217044585e+00 2.26 -4.623292994e+00 -3.674712746e+00 -2.558741726e+00 2.28 -4.658734451e+00 -3.819866880e+00 -2.868868684e+00 2.30 -4.681533534e+00 -3.947644515e+00 -3.149330747e+00 2.32 -4.692737859e+00 -4.059150889e+00 -3.401941462e+00 2.34 -4.693331068e+00 -4.155436742e+00 -3.628426140e+00 2.36 -4.684236086e+00 -4.237500384e+00 -3.830425293e+00 2.38 -4.666318271e+00 -4.306289725e+00 -4.009498003e+00 2.40 -4.640388438e+00 -4.362704268e+00 -4.167125211e+00 2.42 -4.607205774e+00 -4.407597062e+00 -4.304712930e+00 2.44 -4.567480632e+00 -4.441776603e+00 -4.423595378e+00 2.46 -4.521877221e+00 -4.466008700e+00 -4.525038018e+00 2.48 -4.471016180e+00 -4.481018282e+00 -4.610240526e+00 2.50 -4.415477048e+00 -4.487491163e+00 -4.680339658e+00 2.52 -4.355800630e+00 -4.486075755e+00 -4.736412042e+00 2.54 -4.292491259e+00 -4.477384734e+00 -4.779476871e+00 2.56 -4.226018964e+00 -4.461996648e+00 -4.810498517e+00 2.58 -4.156821538e+00 -4.440457477e+00 -4.830389051e+00 2.60 -4.085306521e+00 -4.413282151e+00 -4.840010680e+00 2.62 -4.011853089e+00 -4.380956000e+00 -4.840178097e+00 2.64 -3.936813862e+00 -4.343936170e+00 -4.831660746e+00 2.66 -3.860516630e+00 -4.302652984e+00 -4.815184999e+00 2.68 -3.783266003e+00 -4.257511247e+00 -4.791436259e+00 2.70 -3.705344989e+00 -4.208891516e+00 -4.761060976e+00 2.72 -3.627016497e+00 -4.157151314e+00 -4.724668585e+00 2.74 -3.548524780e+00 -4.102626307e+00 -4.682833366e+00 2.76 -3.470096812e+00 -4.045631403e+00 -4.636096230e+00 2.78 -3.391943608e+00 -3.986461848e+00 -4.584966431e+00 2.80 -3.314261485e+00 -3.925394295e+00 -4.529923202e+00 2.82 -3.237233276e+00 -3.862687761e+00 -4.471417328e+00 2.84 -3.161029494e+00 -3.798584597e+00 -4.409872642e+00 2.86 -3.085809441e+00 -3.733311405e+00 -4.345687464e+00 2.88 -3.011722286e+00 -3.667079916e+00 -4.279235969e+00 2.90 -2.938908090e+00 -3.600087836e+00 -4.210869493e+00 2.92 -2.867498794e+00 -3.532519656e+00 -4.140917781e+00 2.94 -2.797619162e+00 -3.464547421e+00 -4.069690178e+00 2.96 -2.729387684e+00 -3.396331476e+00 -3.997476755e+00 2.98 -2.662917430e+00 -3.328021176e+00 -3.924549390e+00 3.00 -2.598316848e+00 -3.259755571e+00 -3.851162786e+00 3.02 -2.535690507e+00 -3.191664052e+00 -3.777555447e+00 3.04 -2.475139760e+00 -3.123866984e+00 -3.703950598e+00 3.06 -2.416763320e+00 -3.056476304e+00 -3.630557056e+00 3.08 -2.360657711e+00 -2.989596094e+00 -3.557570063e+00 3.10 -2.306917585e+00 -2.923323139e+00 -3.485172063e+00 3.12 -2.255635839e+00 -2.857747455e+00 -3.413546348e+00 3.14 -2.206903497e+00 -2.792952799e+00 -3.344275868e+00 3.16 -2.160809293e+00 -2.729017159e+00 -3.283580503e+00 3.18 -2.117438858e+00 -2.666013230e+00 -3.228793511e+00 3.20 -2.076873446e+00 -2.604008859e+00 -3.161301136e+00 3.22 -2.039188060e+00 -2.543067491e+00 -3.094957334e+00 3.24 -2.004448882e+00 -2.483248585e+00 -3.030137822e+00 3.26 -1.972709870e+00 -2.424608017e+00 -2.966950739e+00 3.28 -1.944008398e+00 -2.367198470e+00 -2.905497158e+00 3.30 -1.918359847e+00 -2.311069806e+00 -2.845871519e+00 3.32 -1.895751104e+00 -2.256269418e+00 -2.788162021e+00 3.34 -1.876132990e+00 -2.202842567e+00 -2.732450987e+00 3.36 -1.859411804e+00 -2.150832693e+00 -2.678815206e+00 3.38 -1.845440336e+00 -2.100281708e+00 -2.627326228e+00 3.40 -1.834008927e+00 -2.051230255e+00 -2.578050634e+00 3.42 -1.824837496e+00 -2.003717931e+00 -2.531050261e+00 3.44 -1.817569648e+00 -1.957783474e+00 -2.486382379e+00 3.46 -1.811770332e+00 -1.913464887e+00 -2.444099798e+00 3.48 -1.806928535e+00 -1.870799508e+00 -2.404250895e+00 3.50 -1.802466498e+00 -1.829823991e+00 -2.366879517e+00 3.52 -1.797756422e+00 -1.790574183e+00 -2.332024743e+00 3.54 -1.792144968e+00 -1.753084893e+00 -2.299720445e+00 3.56 -1.784984677e+00 -1.717389490e+00 -2.269994591e+00 3.58 -1.775670190e+00 -1.683519335e+00 -2.242868253e+00 3.60 -1.763663990e+00 -1.651502986e+00 -2.218354240e+00 3.62 -1.747321250e+00 -1.621365148e+00 -2.196455315e+00 3.64 -1.790396836e+00 -1.593125330e+00 -2.177161973e+00 3.66 -1.998547453e+00 -1.566796167e+00 -2.160449754e+00 3.68 -1.950801482e+00 -1.542381370e+00 -2.146276136e+00 3.70 -1.922773536e+00 -1.519873302e+00 -2.134577067e+00 3.72 -1.891661123e+00 -1.499250168e+00 -2.125263259e+00 3.74 -1.857903617e+00 -1.480472849e+00 -2.118216382e+00 3.76 -1.821996812e+00 -1.463481487e+00 -2.113285351e+00 3.78 -1.784454832e+00 -1.448191927e+00 -2.110282908e+00 3.80 -1.745775898e+00 -1.434492258e+00 -2.108982744e+00 3.82 -1.706415097e+00 -1.422240153e+00 -2.109117426e+00 3.84 -1.666765953e+00 -1.411292470e+00 -2.110377452e+00 3.86 -1.627151132e+00 -1.401243393e+00 -2.112411826e+00 3.88 -1.587821404e+00 -1.388666156e+00 -2.114830614e+00 3.90 -1.548961057e+00 -1.374056330e+00 -2.117209958e+00 3.92 -1.510697514e+00 -1.365825701e+00 -2.119100023e+00 3.94 -1.473100188e+00 -1.357487171e+00 -2.120036177e+00 3.96 -1.425548373e+00 -1.348716109e+00 -2.119553429e+00 3.98 -1.288981796e+00 -1.339193603e+00 -2.117203726e+00 4.00 -9.263181102e-01 -1.328620860e+00 -2.112575201e+00 4.02 -4.000320331e-01 -1.316734007e+00 -2.105311974e+00 4.04 -3.400667706e-01 -1.303317921e+00 -2.095132709e+00 4.06 -3.318473343e-01 -1.288217708e+00 -2.081845992e+00 4.08 -3.238154332e-01 -1.271346555e+00 -2.065360719e+00 4.10 -3.159674284e-01 -1.252689038e+00 -2.045690145e+00 4.12 -3.082997139e-01 -1.232299473e+00 -2.022948940e+00 4.14 -3.008087190e-01 -1.210295479e+00 -1.997343415e+00 4.16 -2.934909104e-01 -1.186847462e+00 -1.969155898e+00 4.18 -2.863427936e-01 -1.162165180e+00 -1.938724896e+00 4.20 -2.793609150e-01 -1.136482798e+00 -1.906423065e+00 4.22 -2.725418632e-01 -1.110043899e+00 -1.872635119e+00 4.24 -2.658822702e-01 -1.083087778e+00 -1.837737633e+00 4.26 -2.593788127e-01 -1.055838056e+00 -1.802082255e+00 4.28 -2.530282130e-01 -1.028494274e+00 -1.765983329e+00 4.30 -2.468272399e-01 -1.001226724e+00 -1.729710306e+00 4.32 -2.407727096e-01 -9.741743811e-01 -1.693484766e+00 4.34 -2.348614861e-01 -9.474455188e-01 -1.657481404e+00 4.36 -2.290904818e-01 -9.211203489e-01 -1.621832058e+00 4.38 -2.234566580e-01 -8.952549806e-01 -1.586631675e+00 4.40 -2.179570250e-01 -8.698859784e-01 -1.551945179e+00 4.42 -2.121201158e-01 -8.428226594e-01 -1.514419352e+00 4.44 -2.000364871e-01 -7.865205890e-01 -1.431077496e+00 4.46 -1.663688020e-01 -6.337918621e-01 -1.190027995e+00 4.48 -9.110066572e-02 -3.203168639e-01 -6.481031126e-01 4.50 -6.370990020e-23 -2.886960835e-22 -2.562799607e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00