# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = AlCo3 # 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 2.990456788e+02 nan nan 0.86 2.789381989e+02 nan nan 0.88 2.600790776e+02 nan nan 0.90 2.423942260e+02 nan nan 0.92 2.258138079e+02 2.774788203e+02 nan 0.94 2.102720044e+02 2.602325660e+02 3.554914154e+02 0.96 1.957067898e+02 2.439734893e+02 3.358091904e+02 0.98 1.820597205e+02 2.286474545e+02 3.171009205e+02 1.00 1.692757346e+02 2.142032195e+02 2.993197501e+02 1.02 1.573029621e+02 2.005922833e+02 2.824213503e+02 1.04 1.460925457e+02 1.877687424e+02 2.663637700e+02 1.06 1.355984711e+02 1.756891539e+02 2.511072927e+02 1.08 1.257774066e+02 1.643124058e+02 2.366142979e+02 1.10 1.165885510e+02 1.535995943e+02 2.228491295e+02 1.12 1.079934904e+02 1.435139073e+02 2.097779688e+02 1.14 9.995606236e+01 1.340205142e+02 1.973687155e+02 1.16 9.244222802e+01 1.250864612e+02 1.855908732e+02 1.18 8.541995069e+01 1.166805720e+02 1.744154439e+02 1.20 7.885908158e+01 1.087733538e+02 1.638148269e+02 1.22 7.273125166e+01 1.013369086e+02 1.537627267e+02 1.24 6.700976962e+01 9.434484828e+01 1.442340657e+02 1.26 6.166952545e+01 8.777221469e+01 1.352049057e+02 1.28 5.668689945e+01 8.159540394e+01 1.266523739e+02 1.30 5.203967631e+01 7.579209441e+01 1.185545967e+02 1.32 4.770696398e+01 7.034117861e+01 1.108906391e+02 1.34 4.366911718e+01 6.522269865e+01 1.036404495e+02 1.36 3.990766513e+01 6.041778502e+01 9.678481021e+01 1.38 3.640524342e+01 5.590859867e+01 9.030529295e+01 1.40 3.314552968e+01 5.167827599e+01 8.418421863e+01 1.42 3.011318295e+01 4.771087683e+01 7.840462139e+01 1.44 2.729378644e+01 4.399133513e+01 7.295021632e+01 1.46 2.467379356e+01 4.050541218e+01 6.780537035e+01 1.48 2.224047706e+01 3.723965241e+01 6.295507607e+01 1.50 1.998188098e+01 3.418134135e+01 5.838492794e+01 1.52 1.788677546e+01 3.131846593e+01 5.408110064e+01 1.54 1.594461404e+01 2.863967686e+01 5.003032919e+01 1.56 1.414549343e+01 2.613425293e+01 4.621989051e+01 1.58 1.248011566e+01 2.379206721e+01 4.263758616e+01 1.60 1.093975226e+01 2.160355510e+01 3.927172618e+01 1.62 9.516210669e+00 1.955968400e+01 3.611111351e+01 1.64 8.201802429e+00 1.765192458e+01 3.314502918e+01 1.66 6.989313332e+00 1.587222361e+01 3.036321787e+01 1.68 5.871975213e+00 1.421297822e+01 2.775587389e+01 1.70 4.843439423e+00 1.266701150e+01 2.531362735e+01 1.72 3.897751806e+00 1.122754940e+01 2.302753059e+01 1.74 3.029329158e+00 9.888198887e+00 2.088904477e+01 1.76 2.232937029e+00 8.642927218e+00 1.889002652e+01 1.78 1.503668836e+00 7.486042349e+00 1.702271481e+01 1.80 8.369261730e-01 6.412174365e+00 1.527971775e+01 1.82 2.284002957e-01 5.416257911e+00 1.365399971e+01 1.84 -3.259453391e-01 4.493515556e+00 1.213886836e+01 1.86 -8.298914894e-01 3.639442038e+00 1.072796193e+01 1.88 -1.286978600e+00 2.849789366e+00 9.415236649e+00 1.90 -1.700521353e+00 2.120552699e+00 8.194954261e+00 1.92 -2.073622374e+00 1.447956995e+00 7.061669792e+00 1.94 -2.409185120e+00 8.284443704e-01 6.010219510e+00 1.96 -2.709926024e+00 2.586621329e-01 5.035709112e+00 1.98 -2.978385906e+00 -2.645485374e-01 4.133502157e+00 2.00 -3.216940720e+00 -7.441633020e-01 3.299208777e+00 2.02 -3.427811665e+00 -1.182984801e+00 2.528674658e+00 2.04 -3.613074688e+00 -1.583652245e+00 1.817970328e+00 2.06 -3.774669437e+00 -1.948650493e+00 1.163380750e+00 2.08 -3.914407666e+00 -2.280318631e+00 5.613952261e-01 2.10 -4.033981152e+00 -2.580858102e+00 8.697641594e-03 2.12 -4.134969133e+00 -2.852340382e+00 -4.978429751e-01 2.14 -4.218845308e+00 -3.096714252e+00 -9.611815495e-01 2.16 -4.286984406e+00 -3.315812668e+00 -1.384105726e+00 2.18 -4.340668379e+00 -3.511359263e+00 -1.769244299e+00 2.20 -4.381092205e+00 -3.684974494e+00 -2.119075305e+00 2.22 -4.409369360e+00 -3.838181454e+00 -2.435933796e+00 2.24 -4.426536942e+00 -3.972411370e+00 -2.722019274e+00 2.26 -4.433560504e+00 -4.089008800e+00 -2.979402816e+00 2.28 -4.431338578e+00 -4.189236544e+00 -3.210033882e+00 2.30 -4.420706940e+00 -4.274280291e+00 -3.415746813e+00 2.32 -4.402442606e+00 -4.345253011e+00 -3.598267040e+00 2.34 -4.377267589e+00 -4.403199098e+00 -3.759216991e+00 2.36 -4.345852428e+00 -4.449098300e+00 -3.900121732e+00 2.38 -4.308819500e+00 -4.483869421e+00 -4.022414317e+00 2.40 -4.266746130e+00 -4.508373825e+00 -4.127440898e+00 2.42 -4.220167511e+00 -4.523418747e+00 -4.216465561e+00 2.44 -4.169579444e+00 -4.529760415e+00 -4.290674932e+00 2.46 -4.115440913e+00 -4.528107009e+00 -4.351182548e+00 2.48 -4.058176491e+00 -4.519121451e+00 -4.399032993e+00 2.50 -3.998178612e+00 -4.503424035e+00 -4.435205837e+00 2.52 -3.935809694e+00 -4.481594924e+00 -4.460619350e+00 2.54 -3.871404125e+00 -4.454176498e+00 -4.476134035e+00 2.56 -3.805270139e+00 -4.421675569e+00 -4.482555968e+00 2.58 -3.737691563e+00 -4.384565484e+00 -4.480639951e+00 2.60 -3.668929463e+00 -4.343288100e+00 -4.471092509e+00 2.62 -3.599223677e+00 -4.298255652e+00 -4.454574716e+00 2.64 -3.528794268e+00 -4.249852516e+00 -4.431704865e+00 2.66 -3.457842864e+00 -4.198436873e+00 -4.403060993e+00 2.68 -3.386553933e+00 -4.144342280e+00 -4.369183272e+00 2.70 -3.315095966e+00 -4.087879149e+00 -4.330576258e+00 2.72 -3.243622587e+00 -4.029336152e+00 -4.287711018e+00 2.74 -3.172273596e+00 -3.968981554e+00 -4.241027140e+00 2.76 -3.101175938e+00 -3.907064380e+00 -4.190934629e+00 2.78 -3.030444617e+00 -3.843815638e+00 -4.137815687e+00 2.80 -2.960183549e+00 -3.779449505e+00 -4.082026406e+00 2.82 -2.890486359e+00 -3.714164257e+00 -4.023898354e+00 2.84 -2.821437123e+00 -3.648143290e+00 -3.963740070e+00 2.86 -2.753111072e+00 -3.581556050e+00 -3.901838477e+00 2.88 -2.685575238e+00 -3.514558899e+00 -3.838460212e+00 2.90 -2.618889067e+00 -3.447295943e+00 -3.773852874e+00 2.92 -2.553104986e+00 -3.379899806e+00 -3.708246208e+00 2.94 -2.488268934e+00 -3.312492358e+00 -3.641853205e+00 2.96 -2.424420861e+00 -3.245185406e+00 -3.574871153e+00 2.98 -2.361595190e+00 -3.178081339e+00 -3.507482612e+00 3.00 -2.299821247e+00 -3.111273739e+00 -3.439856338e+00 3.02 -2.239123668e+00 -3.044847954e+00 -3.372148151e+00 3.04 -2.179522772e+00 -2.978881637e+00 -3.304501744e+00 3.06 -2.121034915e+00 -2.913445258e+00 -3.237049446e+00 3.08 -2.063672812e+00 -2.848602578e+00 -3.169912942e+00 3.10 -2.007445847e+00 -2.784411100e+00 -3.103203942e+00 3.12 -1.952360350e+00 -2.720922495e+00 -3.037037846e+00 3.14 -1.898419867e+00 -2.658182993e+00 -2.972946782e+00 3.16 -1.845625400e+00 -2.596233764e+00 -2.917386199e+00 3.18 -1.793975638e+00 -2.535111263e+00 -2.868558294e+00 3.20 -1.743467170e+00 -2.474847566e+00 -2.805126118e+00 3.22 -1.694094678e+00 -2.415470673e+00 -2.742323470e+00 3.24 -1.645851123e+00 -2.357004806e+00 -2.680510009e+00 3.26 -1.598727916e+00 -2.299470678e+00 -2.619736904e+00 3.28 -1.552715071e+00 -2.242885748e+00 -2.560049694e+00 3.30 -1.507801354e+00 -2.187264468e+00 -2.501488621e+00 3.32 -1.463974418e+00 -2.132618501e+00 -2.444088938e+00 3.34 -1.421220925e+00 -2.078956939e+00 -2.387881189e+00 3.36 -1.379526668e+00 -2.026286497e+00 -2.332891472e+00 3.38 -1.338876670e+00 -1.974611701e+00 -2.279141679e+00 3.40 -1.299255289e+00 -1.923935060e+00 -2.226649719e+00 3.42 -1.260646305e+00 -1.874257232e+00 -2.175429722e+00 3.44 -1.223033006e+00 -1.825577176e+00 -2.125492222e+00 3.46 -1.186398267e+00 -1.777892291e+00 -2.076844341e+00 3.48 -1.150724614e+00 -1.731198554e+00 -2.029489938e+00 3.50 -1.115994300e+00 -1.685490643e+00 -1.983429768e+00 3.52 -1.082189354e+00 -1.640762053e+00 -1.938661614e+00 3.54 -1.049291643e+00 -1.597005205e+00 -1.895180424e+00 3.56 -1.017282922e+00 -1.554211551e+00 -1.852978426e+00 3.58 -9.861448743e-01 -1.512371661e+00 -1.812045252e+00 3.60 -9.558587038e-01 -1.471475321e+00 -1.772368039e+00 3.62 -9.267135319e-01 -1.431511609e+00 -1.733931535e+00 3.64 -9.311356624e-01 -1.392468972e+00 -1.696718192e+00 3.66 -1.144571377e+00 -1.354335302e+00 -1.660708248e+00 3.68 -1.159899555e+00 -1.317097995e+00 -1.625879799e+00 3.70 -1.136423365e+00 -1.280744020e+00 -1.592208857e+00 3.72 -1.113308545e+00 -1.245259973e+00 -1.559669386e+00 3.74 -1.090560779e+00 -1.210632129e+00 -1.528233319e+00 3.76 -1.068184492e+00 -1.176846494e+00 -1.497870556e+00 3.78 -1.046182771e+00 -1.143888847e+00 -1.468548928e+00 3.80 -1.024557383e+00 -1.111744787e+00 -1.440234148e+00 3.82 -1.003308868e+00 -1.080404826e+00 -1.412889747e+00 3.84 -9.824366768e-01 -1.050310253e+00 -1.386476994e+00 3.86 -9.619393311e-01 -1.022740609e+00 -1.360954846e+00 3.88 -9.418145858e-01 -9.910416700e-01 -1.336279910e+00 3.90 -9.220595810e-01 -9.521304266e-01 -1.312406477e+00 3.92 -9.026709753e-01 -9.260694088e-01 -1.289286638e+00 3.94 -8.836417292e-01 -9.006450449e-01 -1.266870513e+00 3.96 -8.621213720e-01 -8.758450975e-01 -1.245106613e+00 3.98 -8.148699392e-01 -8.516573656e-01 -1.223942363e+00 4.00 -6.765486995e-01 -8.280697007e-01 -1.203324768e+00 4.02 -3.847502982e-01 -8.050700201e-01 -1.183201220e+00 4.04 -3.400667706e-01 -7.826463203e-01 -1.163520408e+00 4.06 -3.318473343e-01 -7.607866886e-01 -1.144233297e+00 4.08 -3.238154332e-01 -7.394793133e-01 -1.125294087e+00 4.10 -3.159674284e-01 -7.187124940e-01 -1.106661116e+00 4.12 -3.082997139e-01 -6.984746497e-01 -1.088297619e+00 4.14 -3.008087190e-01 -6.787543272e-01 -1.070172297e+00 4.16 -2.934909104e-01 -6.595402077e-01 -1.052259648e+00 4.18 -2.863427936e-01 -6.408211131e-01 -1.034540041e+00 4.20 -2.793609150e-01 -6.225860119e-01 -1.016999534e+00 4.22 -2.725418632e-01 -6.048240237e-01 -9.996294579e-01 4.24 -2.658822702e-01 -5.875244238e-01 -9.824258090e-01 4.26 -2.593788127e-01 -5.706766468e-01 -9.653885046e-01 4.28 -2.530282130e-01 -5.542702895e-01 -9.485205591e-01 4.30 -2.468272399e-01 -5.382951142e-01 -9.318272429e-01 4.32 -2.407727096e-01 -5.227410504e-01 -9.153152775e-01 4.34 -2.348614861e-01 -5.075981965e-01 -8.989921115e-01 4.36 -2.290904818e-01 -4.928568218e-01 -8.828653063e-01 4.38 -2.234566580e-01 -4.785073672e-01 -8.669420508e-01 4.40 -2.179570250e-01 -4.645404455e-01 -8.512288098e-01 4.42 -2.121201158e-01 -4.502522482e-01 -8.351981214e-01 4.44 -2.000364871e-01 -4.268210489e-01 -8.111677053e-01 4.46 -1.663688020e-01 -3.685631805e-01 -7.442127484e-01 4.48 -9.110066572e-02 -2.231783053e-01 -5.039150102e-01 4.50 -6.370990020e-23 -3.831400269e-22 -3.400404142e-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