# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-11-27 r Cr Ni Cr Pd Fe Pd Fe Fe Ni Pd Cr Cr Cr Fe Pd Pd Ni Ni Fe Ni 0.02 3.973670010e+05 6.411999958e+05 6.931505107e+05 3.997079550e+05 7.449360065e+05 3.422361101e+05 3.698507008e+05 1.204485539e+06 4.614428448e+05 4.294605456e+05 0.04 1.670926774e+05 2.659237247e+05 2.870013331e+05 1.680690702e+05 3.079615405e+05 1.444484666e+05 1.558064132e+05 4.920025923e+05 1.933380407e+05 1.802556804e+05 0.06 9.535411763e+04 1.500358619e+05 1.617113515e+05 9.590753343e+04 1.732988376e+05 8.268673079e+04 8.904777036e+04 2.741520119e+05 1.100035534e+05 1.027094558e+05 0.08 6.201830468e+04 9.660932761e+04 1.040041037e+05 6.237607304e+04 1.113301841e+05 5.392562931e+04 5.799361024e+04 1.745893197e+05 7.135919441e+04 6.671288799e+04 0.10 4.344100517e+04 6.704532593e+04 7.209785853e+04 4.369019302e+04 7.709517436e+04 3.786710199e+04 4.067166670e+04 1.199220825e+05 4.986320624e+04 4.667167594e+04 0.12 3.192643905e+04 4.884134168e+04 5.246701271e+04 3.210858484e+04 5.604739278e+04 2.789612826e+04 2.992591030e+04 8.650855241e+04 3.656235677e+04 3.426058764e+04 0.14 2.427043018e+04 3.681552905e+04 3.950864534e+04 2.440816670e+04 4.216409544e+04 2.125509168e+04 2.277508414e+04 6.459727916e+04 2.773338048e+04 2.601548986e+04 0.16 1.892044791e+04 2.846663013e+04 3.051940396e+04 1.902726851e+04 3.254055286e+04 1.660639959e+04 1.777391401e+04 4.949929422e+04 2.157406781e+04 2.025877099e+04 0.18 1.504119732e+04 2.245301909e+04 2.404975938e+04 1.512568728e+04 2.561976576e+04 1.322976754e+04 1.414448019e+04 3.870729410e+04 1.711559080e+04 1.608822231e+04 0.20 1.214713195e+04 1.799683946e+04 1.925954562e+04 1.221502796e+04 2.049953654e+04 1.070619958e+04 1.143442817e+04 3.077167124e+04 1.379516861e+04 1.297958591e+04 0.22 9.938678986e+03 1.461935162e+04 1.563183018e+04 9.993962705e+03 1.662492920e+04 8.777014457e+03 9.364574784e+03 2.480291195e+04 1.126579600e+04 1.060950910e+04 0.24 8.222075672e+03 1.201172907e+04 1.283326228e+04 8.267595256e+03 1.363820500e+04 7.274787279e+03 7.754286437e+03 2.022918648e+04 9.303178659e+03 8.768918076e+03 0.26 6.867129451e+03 9.967096736e+03 1.064062737e+04 6.904972669e+03 1.129991245e+04 6.086939997e+03 6.482148291e+03 1.666899374e+04 7.756720987e+03 7.317385054e+03 0.28 5.783587022e+03 8.342548454e+03 8.899803250e+03 5.815315512e+03 9.444793056e+03 5.135364534e+03 5.463956903e+03 1.386002884e+04 6.522115116e+03 6.157603418e+03 0.30 4.907239249e+03 7.036825165e+03 7.501640439e+03 4.934041150e+03 7.955870212e+03 4.364438542e+03 4.639778490e+03 1.161739825e+04 5.525225964e+03 5.220380398e+03 0.32 4.191400073e+03 5.976631393e+03 6.367177145e+03 4.214192612e+03 6.748566924e+03 3.732992043e+03 3.966012040e+03 9.808021869e+03 4.712209814e+03 4.455434392e+03 0.34 3.601490325e+03 5.107941965e+03 5.438246973e+03 3.620990554e+03 5.760617303e+03 3.209045243e+03 3.410344212e+03 8.334388540e+03 4.043234050e+03 3.825545779e+03 0.36 3.111487364e+03 4.390308190e+03 4.671328119e+03 3.128262023e+03 4.945460824e+03 2.769899165e+03 2.948441996e+03 7.123935352e+03 3.488361037e+03 3.302723028e+03 0.38 2.701534971e+03 3.793029755e+03 4.033408996e+03 2.716036364e+03 4.267803088e+03 2.399065834e+03 2.561725966e+03 6.121924827e+03 3.024777932e+03 2.865622095e+03 0.40 2.356296737e+03 3.292522312e+03 3.499146026e+03 2.368888984e+03 3.700564919e+03 2.083897748e+03 2.235835940e+03 5.286562415e+03 2.634888984e+03 2.497768930e+03 0.42 2.063798569e+03 2.870471479e+03 3.048871235e+03 2.074777097e+03 3.222744396e+03 1.814328774e+03 1.959552143e+03 4.585585568e+03 2.304975220e+03 2.186310306e+03 0.44 1.814600497e+03 2.512515924e+03 2.667171478e+03 1.824206715e+03 2.817892910e+03 1.582212561e+03 1.724023054e+03 3.993840945e+03 2.024236102e+03 1.921120346e+03 0.46 1.601194793e+03 2.207293596e+03 2.341859933e+03 1.609627266e+03 2.473012475e+03 1.380964384e+03 1.522204036e+03 3.491538055e+03 1.784093612e+03 1.694151442e+03 0.48 1.417562459e+03 1.945741620e+03 2.063221525e+03 1.424985504e+03 2.177747135e+03 1.205341486e+03 1.348443493e+03 3.062973896e+03 1.577679931e+03 1.498956207e+03 0.50 1.258842354e+03 1.720576198e+03 1.823452661e+03 1.265392725e+03 1.923782902e+03 1.051273506e+03 1.198173974e+03 2.695590534e+03 1.399455615e+03 1.330331000e+03 0.52 1.121081597e+03 1.525902015e+03 1.616240712e+03 1.126873732e+03 1.704397620e+03 9.156999458e+02 1.067679039e+03 2.379271220e+03 1.244921890e+03 1.184047186e+03 0.54 1.001045389e+03 1.356916021e+03 1.436445283e+03 1.006175561e+03 1.514119976e+03 7.963982016e+02 9.539155089e+02 2.105809524e+03 1.110401689e+03 1.056646479e+03 0.56 8.960707748e+02 1.209680748e+03 1.279854446e+03 9.006204058e+02 1.348468858e+03 6.918007686e+02 8.543767172e+02 1.868505330e+03 9.928714902e+02 9.452836782e+02 0.58 8.039532555e+02 1.080949403e+03 1.142996761e+03 8.079915874e+02 1.203752470e+03 6.008082342e+02 7.669864029e+02 1.661854796e+03 8.898310901e+02 8.476048061e+02 0.60 7.228581975e+02 9.680298834e+02 1.022995198e+03 7.264444565e+02 1.076912323e+03 5.226082488e+02 6.900157603e+02 1.481310584e+03 7.992019831e+02 7.616519553e+02 0.62 6.512511201e+02 8.686782923e+02 9.174528156e+02 6.544362836e+02 9.654011966e+02 4.565114569e+02 6.220181233e+02 1.323095048e+03 7.192474960e+02 6.857884601e+02 0.64 5.878424823e+02 7.810150046e+02 8.243626810e+02 5.906707257e+02 8.670870335e+02 4.018144153e+02 5.617771996e+02 1.184053696e+03 6.485096057e+02 6.186396623e+02 0.66 5.315436854e+02 7.034580967e+02 7.420364459e+02 5.340535665e+02 7.801767774e+02 3.576974531e+02 5.082657943e+02 1.061539485e+03 5.857586430e+02 5.590457303e+02 0.68 4.814318167e+02 6.346702392e+02 6.690473781e+02 4.836572356e+02 7.031556525e+02 3.231626564e+02 4.606127094e+02 9.533208814e+02 5.299530225e+02 5.060238599e+02 0.70 4.367212464e+02 5.735160970e+02 6.041846621e+02 4.386922105e+02 6.347384769e+02 2.970139328e+02 4.180760617e+02 8.575083884e+02 4.802068204e+02 4.587378254e+02 0.72 3.967406360e+02 5.190279796e+02 5.464165414e+02 3.984838463e+02 5.738304123e+02 2.778776067e+02 3.800216663e+02 7.724954826e+02 4.357635360e+02 4.164733237e+02 0.74 3.609142371e+02 4.703780052e+02 4.948604388e+02 3.624535105e+02 5.194951569e+02 2.642583038e+02 3.459054421e+02 6.969108817e+02 3.959747499e+02 3.786179094e+02 0.76 3.287466141e+02 4.268554380e+02 4.487586119e+02 3.301031504e+02 4.709290404e+02 2.546210836e+02 3.152590274e+02 6.295797650e+02 3.602826844e+02 3.446445911e+02 0.78 2.998101082e+02 3.878481503e+02 4.074582257e+02 3.010026126e+02 4.274398259e+02 2.474869052e+02 2.876779677e+02 5.694921085e+02 3.282058861e+02 3.140983570e+02 0.80 2.737345075e+02 3.528273937e+02 3.703949637e+02 2.747791778e+02 3.884292815e+02 2.415245961e+02 2.628119754e+02 5.157767045e+02 2.993274214e+02 2.865850621e+02 0.82 2.501982974e+02 3.213349325e+02 3.370794917e+02 2.511088889e+02 3.533787890e+02 2.357745420e+02 2.403567071e+02 4.676797451e+02 2.732851028e+02 2.617622219e+02 0.84 2.289207663e+02 2.929714758e+02 3.070862282e+02 2.297093364e+02 3.218374084e+02 2.300616404e+02 2.200464436e+02 4.245470884e+02 2.497633627e+02 2.393313566e+02 0.86 2.096563638e+02 2.673884652e+02 2.800439914e+02 2.103336322e+02 2.934119385e+02 2.243871505e+02 2.016487105e+02 3.858095105e+02 2.284864728e+02 2.190315992e+02 0.88 1.921898428e+02 2.442810010e+02 2.556281768e+02 1.927653584e+02 2.677586063e+02 2.187523298e+02 1.849596679e+02 3.509703899e+02 2.092128618e+02 2.006343389e+02 0.90 1.763320335e+02 2.233816938e+02 2.335541914e+02 1.768143176e+02 2.445760921e+02 2.131584359e+02 1.698001229e+02 3.195953811e+02 1.917303397e+02 1.839387164e+02 0.92 1.619162750e+02 2.044410291e+02 2.135637279e+02 1.623129446e+02 2.235825662e+02 2.076067263e+02 1.560121612e+02 2.912866794e+02 1.758520657e+02 1.687678211e+02 0.94 1.487953924e+02 1.871928860e+02 1.954052063e+02 1.491132676e+02 2.044748975e+02 2.020984587e+02 1.434562942e+02 2.656428701e+02 1.614131366e+02 1.549654708e+02 0.96 1.368391284e+02 1.714121138e+02 1.788666715e+02 1.370843247e+02 1.869966645e+02 1.966348904e+02 1.320090326e+02 2.423279663e+02 1.482676869e+02 1.423934759e+02 0.98 1.259319529e+02 1.569195260e+02 1.637746797e+02 1.261099617e+02 1.709444960e+02 1.912172789e+02 1.215608178e+02 2.210733816e+02 1.362864178e+02 1.309293067e+02 1.00 1.159711899e+02 1.435713847e+02 1.499848914e+02 1.160869489e+02 1.561560211e+02 1.858468815e+02 1.120142525e+02 2.016619096e+02 1.253544856e+02 1.204640995e+02 1.02 1.068654108e+02 1.312512162e+02 1.373749609e+02 1.069233657e+02 1.425004632e+02 1.805249557e+02 1.032825826e+02 1.839153789e+02 1.153696896e+02 1.109009459e+02 1.04 9.853305257e+01 1.198634610e+02 1.258392077e+02 9.853721062e+01 1.298713179e+02 1.752527588e+02 9.528839111e+01 1.676851810e+02 1.062409150e+02 1.021534221e+02 1.06 9.090122554e+01 1.093285677e+02 1.152846612e+02 9.085520292e+01 1.181806715e+02 1.700315479e+02 8.796247148e+01 1.528450433e+02 9.788678925e+01 9.414432011e+01 1.08 8.390468201e+01 9.957921903e+01 1.056281609e+02 8.381174553e+01 1.073548108e+02 1.648625805e+02 8.124285256e+01 1.392855505e+02 9.023452051e+01 8.680455027e+01 1.10 7.748492211e+01 9.055744591e+01 9.679425950e+01 7.734802590e+01 9.733084688e+01 1.597471136e+02 7.507395331e+01 1.269100245e+02 8.321889044e+01 8.007218993e+01 1.12 7.158854652e+01 8.221243425e+01 8.871373570e+01 7.140857455e+01 8.805413370e+01 1.546864044e+02 6.940184792e+01 1.156314561e+02 7.677724437e+01 7.388851421e+01 1.14 6.616519490e+01 7.449887116e+01 8.132257702e+01 6.593548175e+01 7.947631875e+01 1.496817100e+02 6.416556967e+01 1.053702475e+02 7.084019705e+01 6.819131425e+01 1.16 6.117099582e+01 6.737570901e+01 7.456129139e+01 6.087955709e+01 7.155387381e+01 1.447342875e+02 5.931393739e+01 9.605257523e+01 6.534861764e+01 6.292828739e+01 1.18 5.656799123e+01 6.080525101e+01 6.837443788e+01 5.620089628e+01 6.424698870e+01 1.398453940e+02 5.480724409e+01 8.760922536e+01 6.025534417e+01 5.805779969e+01 1.20 5.232278115e+01 5.475248284e+01 6.271032397e+01 5.186657243e+01 5.751875287e+01 1.350162864e+02 5.061447635e+01 7.997478451e+01 5.552236349e+01 5.354619418e+01 1.22 4.840554524e+01 4.918459082e+01 5.752081647e+01 4.784886270e+01 5.133455857e+01 1.302482217e+02 4.671111432e+01 7.308709587e+01 5.111860794e+01 4.936570115e+01 1.24 4.478934706e+01 4.407061984e+01 5.276122451e+01 4.412390099e+01 4.566167238e+01 1.255424567e+02 4.307740340e+01 6.688690966e+01 4.701824647e+01 4.549283212e+01 1.26 4.144964674e+01 3.938123487e+01 4.839022351e+01 4.067066792e+01 4.046893350e+01 1.209002484e+02 3.969700875e+01 6.131767338e+01 4.319937034e+01 4.190716103e+01 1.28 3.836396401e+01 3.508855776e+01 4.436979747e+01 3.747024627e+01 3.572654630e+01 1.163228536e+02 3.655597964e+01 5.632541989e+01 3.964299271e+01 3.859041425e+01 1.30 3.551164643e+01 3.116605766e+01 4.066518335e+01 3.450528354e+01 3.140594192e+01 1.118115290e+02 3.364196396e+01 5.185872131e+01 3.633229651e+01 3.552580516e+01 1.32 3.287370826e+01 2.758847834e+01 3.724480642e+01 3.175961476e+01 2.747968950e+01 1.073675314e+02 3.094362367e+01 4.786868437e+01 3.325207735e+01 3.269756150e+01 1.34 3.043271394e+01 2.433178997e+01 3.408019947e+01 2.921800760e+01 2.392144200e+01 1.029921175e+02 2.845021112e+01 4.430896916e+01 3.038833886e+01 3.009060296e+01 1.36 2.817268688e+01 2.137315604e+01 3.114590168e+01 2.686599940e+01 2.070590549e+01 9.868654390e+01 2.615127333e+01 4.113581797e+01 2.772800548e+01 2.769033465e+01 1.38 2.607902962e+01 1.869090838e+01 2.841933568e+01 2.468980181e+01 1.780882316e+01 9.445206729e+01 2.403645698e+01 3.830808449e+01 2.525872517e+01 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