# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mo3Ti # 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 2024-04-11 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 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.541416536e+02 nan nan 1.16 3.254382960e+02 nan nan 1.18 2.991228949e+02 nan nan 1.20 2.749695200e+02 nan nan 1.22 2.527752339e+02 nan nan 1.24 2.323574871e+02 nan nan 1.26 2.135526711e+02 nan nan 1.28 1.962159976e+02 3.059949259e+02 3.519324583e+02 1.30 1.802215420e+02 2.831998686e+02 3.263130948e+02 1.32 1.654610185e+02 2.621438867e+02 3.025792325e+02 1.34 1.518407908e+02 2.426719149e+02 2.805678871e+02 1.36 1.392779166e+02 2.246392899e+02 2.601382006e+02 1.38 1.276963259e+02 2.079140824e+02 2.411693754e+02 1.40 1.170238904e+02 1.923793309e+02 2.235555985e+02 1.42 1.071908970e+02 1.779338064e+02 2.072007558e+02 1.44 9.812992189e+01 1.644909768e+02 1.920151682e+02 1.46 8.977645531e+01 1.519766812e+02 1.779144553e+02 1.48 8.206967629e+01 1.403263756e+02 1.648192878e+02 1.50 7.495323620e+01 1.294828034e+02 1.526550819e+02 1.52 6.837602878e+01 1.193944811e+02 1.413515735e+02 1.54 6.229274923e+01 1.100148099e+02 1.308426222e+02 1.56 5.666401019e+01 1.013013796e+02 1.210664028e+02 1.58 5.145597111e+01 9.321511424e+01 1.119658133e+02 1.60 4.663959969e+01 8.571919061e+01 1.034888152e+02 1.62 4.218969954e+01 7.877795003e+01 9.558851411e+01 1.64 3.808380453e+01 7.235607688e+01 8.822294287e+01 1.66 3.430104008e+01 6.641818090e+01 8.135460905e+01 1.68 3.082112236e+01 6.092879778e+01 7.494989237e+01 1.70 2.762480830e+01 5.585276120e+01 6.897844302e+01 1.72 2.469928678e+01 5.115582035e+01 6.341272433e+01 1.74 2.202496059e+01 4.680530568e+01 5.822769499e+01 1.76 1.958089186e+01 4.277066576e+01 5.340051122e+01 1.78 1.734683158e+01 3.902383233e+01 4.891014740e+01 1.80 1.530350819e+01 3.553948717e+01 4.473692294e+01 1.82 1.343276629e+01 3.229528467e+01 4.086200543e+01 1.84 1.171763961e+01 2.927197122e+01 3.726700911e+01 1.86 1.014246627e+01 2.645777573e+01 3.393377650e+01 1.88 8.693071598e+00 2.384305533e+01 3.084433803e+01 1.90 7.356948857e+00 2.141532154e+01 2.798123660e+01 1.92 6.123346077e+00 1.916355469e+01 2.533272598e+01 1.94 4.983211224e+00 1.707763487e+01 2.288391253e+01 1.96 3.929004892e+00 1.514793396e+01 2.061792433e+01 1.98 2.954427724e+00 1.336508441e+01 1.851857857e+01 2.00 2.054120452e+00 1.171986959e+01 1.657068525e+01 2.02 1.223387553e+00 1.020317012e+01 1.476037033e+01 2.04 4.579768202e-01 8.805935763e+00 1.307535264e+01 2.06 -2.460741521e-01 7.519191387e+00 1.150510202e+01 2.08 -8.925323141e-01 6.334096226e+00 1.004083697e+01 2.10 -1.485021665e+00 5.242061539e+00 8.675361794e+00 2.12 -2.027052549e+00 4.234908593e+00 7.402783664e+00 2.14 -2.522036460e+00 3.305034116e+00 6.218171266e+00 2.16 -2.973283238e+00 2.445547843e+00 5.117217949e+00 2.18 -3.383976056e+00 1.650352461e+00 4.095959893e+00 2.20 -3.757130190e+00 9.141502434e-01 3.150579602e+00 2.22 -4.095554841e+00 2.323792935e-01 2.277302255e+00 2.24 -4.401834101e+00 -3.988982871e-01 1.472365177e+00 2.26 -4.678329499e+00 -9.831249359e-01 7.320266589e-01 2.28 -4.927193790e+00 -1.523365090e+00 5.258094707e-02 2.30 -5.150383988e+00 -2.022395715e+00 -5.696360671e-01 2.32 -5.349668112e+00 -2.482768736e+00 -1.138250536e+00 2.34 -5.526625965e+00 -2.906849795e+00 -1.656856072e+00 2.36 -5.682647899e+00 -3.296842875e+00 -2.129014150e+00 2.38 -5.818935159e+00 -3.654807671e+00 -2.558244886e+00 2.40 -5.936505880e+00 -3.982674606e+00 -2.948005096e+00 2.42 -6.036209036e+00 -4.282257992e+00 -3.301654088e+00 2.44 -6.118747575e+00 -4.555265347e+00 -3.622409819e+00 2.46 -6.184460040e+00 -4.803301751e+00 -3.913301607e+00 2.48 -6.233726312e+00 -5.027869442e+00 -4.177127070e+00 2.50 -6.267484996e+00 -5.230364413e+00 -4.416421132e+00 2.52 -6.286624736e+00 -5.412072137e+00 -4.633442440e+00 2.54 -6.292018824e+00 -5.574164589e+00 -4.830179493e+00 2.56 -6.284572977e+00 -5.717700676e+00 -5.008373199e+00 2.58 -6.265093546e+00 -5.843631815e+00 -5.169549267e+00 2.60 -6.234342546e+00 -5.952813454e+00 -5.315052267e+00 2.62 -6.192425341e+00 -6.046021837e+00 -5.446075027e+00 2.64 -6.138973767e+00 -6.123974275e+00 -5.563681360e+00 2.66 -6.073768759e+00 -6.187327355e+00 -5.668823114e+00 2.68 -5.996764310e+00 -6.236402713e+00 -5.762355400e+00 2.70 -5.908078567e+00 -6.272004043e+00 -5.845050981e+00 2.72 -5.807917632e+00 -6.295128624e+00 -5.917608898e+00 2.74 -5.696695775e+00 -6.306738866e+00 -5.980373795e+00 2.76 -5.575094956e+00 -6.307768399e+00 -6.034001335e+00 2.78 -5.444061274e+00 -6.299167720e+00 -6.079333359e+00 2.80 -5.304779541e+00 -6.281817340e+00 -6.117108315e+00 2.82 -5.158622353e+00 -6.256494416e+00 -6.147967684e+00 2.84 -5.007076095e+00 -6.223646711e+00 -6.172459880e+00 2.86 -4.851651648e+00 -6.183300654e+00 -6.191083323e+00 2.88 -4.693792289e+00 -6.135425222e+00 -6.204192871e+00 2.90 -4.534792517e+00 -6.080080613e+00 -6.212016793e+00 2.92 -4.375739548e+00 -6.017395157e+00 -6.214501610e+00 2.94 -4.217485145e+00 -5.947432823e+00 -6.211195142e+00 2.96 -4.060648022e+00 -5.870319373e+00 -6.201622689e+00 2.98 -3.905644335e+00 -5.786296842e+00 -6.185324129e+00 3.00 -3.752736731e+00 -5.695706642e+00 -6.161852417e+00 3.02 -3.602092031e+00 -5.598965258e+00 -6.130767896e+00 3.04 -3.453836931e+00 -5.496532979e+00 -6.091572950e+00 3.06 -3.308102967e+00 -5.388878426e+00 -6.043777716e+00 3.08 -3.165055100e+00 -5.276442828e+00 -5.986954403e+00 3.10 -3.024902034e+00 -5.159610382e+00 -5.920743318e+00 3.12 -2.887889973e+00 -5.038688675e+00 -5.844856692e+00 3.14 -2.754284344e+00 -4.913902159e+00 -5.759080374e+00 3.16 -2.624345444e+00 -4.785397446e+00 -5.663273871e+00 3.18 -2.498303990e+00 -4.653259003e+00 -5.557369887e+00 3.20 -2.376341299e+00 -4.517531102e+00 -5.441374959e+00 3.22 -2.258577002e+00 -4.378243328e+00 -5.315372990e+00 3.24 -2.145065308e+00 -4.235437374e+00 -5.179533029e+00 3.26 -2.035799444e+00 -4.089193690e+00 -5.034122355e+00 3.28 -1.930722892e+00 -3.939656974e+00 -4.879524503e+00 3.30 -1.829745321e+00 -3.787059536e+00 -4.716260750e+00 3.32 -1.732760632e+00 -3.631741332e+00 -4.545012207e+00 3.34 -1.639664211e+00 -3.474165062e+00 -4.366638533e+00 3.36 -1.550366808e+00 -3.314924523e+00 -4.182188888e+00 3.38 -1.464803222e+00 -3.154744386e+00 -3.992901159e+00 3.40 -1.382935198e+00 -2.994469992e+00 -3.800186734e+00 3.42 -1.304748942e+00 -2.835046698e+00 -3.605599975e+00 3.44 -1.230249074e+00 -2.677489167e+00 -3.410793426e+00 3.46 -1.159449211e+00 -2.522842834e+00 -3.217461647e+00 3.48 -1.092362568e+00 -2.372140400e+00 -3.027277928e+00 3.50 -1.028992344e+00 -2.226357302e+00 -2.841829116e+00 3.52 -9.693235236e-01 -2.086370161e+00 -2.662554750e+00 3.54 -9.133166744e-01 -1.952921807e+00 -2.490694798e+00 3.56 -8.609042026e-01 -1.826595598e+00 -2.327252055e+00 3.58 -8.119891885e-01 -1.707800602e+00 -2.172970609e+00 3.60 -7.664466402e-01 -1.596768057e+00 -2.028331458e+00 3.62 -7.241267525e-01 -1.493558406e+00 -1.893563772e+00 3.64 -6.848595934e-01 -1.398077304e+00 -1.768668813e+00 3.66 -6.484605973e-01 -1.310098260e+00 -1.653452628e+00 3.68 -6.147362181e-01 -1.229289222e+00 -1.547563478e+00 3.70 -5.834891531e-01 -1.155240395e+00 -1.450530339e+00 3.72 -5.545239617e-01 -1.087490950e+00 -1.361799538e+00 3.74 -5.276504315e-01 -1.025552873e+00 -1.280767516e+00 3.76 -5.026866170e-01 -9.689309248e-01 -1.206808552e+00 3.78 -4.794611143e-01 -9.171383347e-01 -1.139297039e+00 3.80 -4.578145016e-01 -8.697083455e-01 -1.077624450e+00 3.82 -4.376000798e-01 -8.262020523e-01 -1.021211473e+00 3.84 -4.186840534e-01 -7.862131451e-01 -9.695160440e-01 3.86 -4.009452882e-01 -7.493702007e-01 -9.220380120e-01 3.88 -3.842747637e-01 -7.153371314e-01 -8.783212141e-01 3.90 -3.685748254e-01 -6.838123183e-01 -8.379536231e-01 3.92 -3.537582961e-01 -6.545268358e-01 -8.005661132e-01 3.94 -3.397476414e-01 -6.272422891e-01 -7.658305617e-01 3.96 -3.264739013e-01 -6.017480449e-01 -7.334569928e-01 3.98 -3.138758841e-01 -5.778587033e-01 -7.031909202e-01 4.00 -3.018992845e-01 -5.554114195e-01 -6.748103486e-01 4.02 -2.904958891e-01 -5.342633831e-01 -6.481228102e-01 4.04 -2.796228507e-01 -5.142894645e-01 -6.229624130e-01 4.06 -2.692420332e-01 -4.953799699e-01 -5.991868876e-01 4.08 -2.593194256e-01 -4.774386573e-01 -5.766746169e-01 4.10 -2.498246230e-01 -4.603814488e-01 -5.553216505e-01 4.12 -2.407303678e-01 -4.441347189e-01 -5.350387478e-01 4.14 -2.320121489e-01 -4.286333886e-01 -5.157485435e-01 4.16 -2.236478508e-01 -4.138201617e-01 -4.973829565e-01 4.18 -2.156174477e-01 -3.996444019e-01 -4.798809741e-01 4.20 -2.079027385e-01 -3.860612402e-01 -4.631869039e-01 4.22 -2.004871167e-01 -3.730307977e-01 -4.472490784e-01 4.24 -1.933553706e-01 -3.605175109e-01 -4.320188925e-01 4.26 -1.864935110e-01 -3.484895483e-01 -4.174511103e-01 4.28 -1.798886211e-01 -3.369183066e-01 -4.035032032e-01 4.30 -1.735287272e-01 -3.257779760e-01 -3.901352874e-01 4.32 -1.674026857e-01 -3.150451667e-01 -3.773102202e-01 4.34 -1.615000851e-01 -3.046985854e-01 -3.649936626e-01 4.36 -1.558111190e-01 -2.947187575e-01 -3.531540781e-01 4.38 -1.503266846e-01 -2.850877875e-01 -3.417626610e-01 4.40 -1.450380433e-01 -2.757891512e-01 -3.307932048e-01 4.42 -1.399369543e-01 -2.668075167e-01 -3.202219243e-01 4.44 -1.350155718e-01 -2.581285886e-01 -3.100272520e-01 4.46 -1.302663979e-01 -2.497389731e-01 -3.001896221e-01 4.48 -1.256822401e-01 -2.416260600e-01 -2.906912563e-01 4.50 -1.212561730e-01 -2.337779203e-01 -2.815159588e-01 4.52 -1.169814725e-01 -2.261832162e-01 -2.726488298e-01 4.54 -1.128517060e-01 -2.188311233e-01 -2.640765025e-01 4.56 -1.088605068e-01 -2.117112620e-01 -2.557863491e-01 4.58 -1.050016805e-01 -2.048136391e-01 -2.477667979e-01 4.60 -1.012691403e-01 -1.981285980e-01 -2.400070980e-01 4.62 -9.765687964e-02 -1.916467777e-01 -2.324972191e-01 4.64 -9.415894617e-02 -1.853590813e-01 -2.252277661e-01 4.66 -9.076941638e-02 -1.792566544e-01 -2.181899045e-01 4.68 -8.748237229e-02 -1.733308743e-01 -2.113752980e-01 4.70 -8.429187967e-02 -1.675733528e-01 -2.047760536e-01 4.72 -8.119196906e-02 -1.619759526e-01 -1.983846757e-01 4.74 -7.817662022e-02 -1.565308211e-01 -1.921940258e-01 4.76 -7.523975066e-02 -1.512304419e-01 -1.861972880e-01 4.78 -7.237521267e-02 -1.460677065e-01 -1.803879388e-01 4.80 -6.957679797e-02 -1.410359644e-01 -1.747597208e-01 4.82 -6.683825237e-02 -1.361293098e-01 -1.693066200e-01 4.84 -6.415330533e-02 -1.313424341e-01 -1.640228448e-01 4.86 -6.151571722e-02 -1.266709531e-01 -1.589028077e-01 4.88 -5.891934780e-02 -1.221114899e-01 -1.539411092e-01 4.90 -5.635824979e-02 -1.176617936e-01 -1.491325218e-01 4.92 -5.382679074e-02 -1.133208225e-01 -1.444719769e-01 4.94 -5.131980593e-02 -1.090887761e-01 -1.399545508e-01 4.96 -4.883278316e-02 -1.049670510e-01 -1.355754532e-01 4.98 -4.636207219e-02 -1.009581150e-01 -1.313300147e-01 5.00 -4.390512259e-02 -9.706528936e-02 -1.272136754e-01 5.02 -4.146073168e-02 -9.329244344e-02 -1.232219742e-01 5.04 -3.902928599e-02 -8.964362350e-02 -1.193505372e-01 5.06 -3.661297367e-02 -8.612264609e-02 -1.155950670e-01 5.08 -3.421593931e-02 -8.273263881e-02 -1.119513318e-01 5.10 -3.184435034e-02 -7.947566193e-02 -1.084151541e-01 5.12 -2.950634507e-02 -7.635275227e-02 -1.049823998e-01 5.14 -2.721183942e-02 -7.336350465e-02 -1.016489672e-01 5.16 -2.497210889e-02 -7.050600310e-02 -9.841077522e-02 5.18 -2.279912950e-02 -6.777688325e-02 -9.526375273e-02 5.20 -2.070564053e-02 -6.517148478e-02 -9.220382717e-02 5.22 -1.870408655e-02 -6.268406606e-02 -8.922691379e-02 5.24 -1.680586757e-02 -6.030805093e-02 -8.632890536e-02 5.26 -1.502071440e-02 -5.803628050e-02 -8.350566267e-02 5.28 -1.335618735e-02 -5.586124879e-02 -8.075300625e-02 5.30 -1.181734340e-02 -5.377530785e-02 -7.806670994e-02 5.32 -1.040659401e-02 -5.177083507e-02 -7.544249612e-02 5.34 -9.123750705e-03 -4.984036272e-02 -7.287603600e-02 5.36 -7.966233658e-03 -4.797667114e-02 -7.036295317e-02 5.38 -6.929402960e-03 -4.617285112e-02 -6.789883179e-02 5.40 -6.006965771e-03 -4.442234353e-02 -6.547923226e-02 5.42 -5.191412998e-03 -4.271896296e-02 -6.309971520e-02 5.44 -4.474446077e-03 -4.105691235e-02 -6.075587546e-02 5.46 -3.847364540e-03 -3.943079470e-02 -5.844338794e-02 5.48 -3.301395962e-03 -3.783562708e-02 -5.615806684e-02 5.50 -2.827959884e-03 -3.626686107e-02 -5.389593985e-02 5.52 -2.418865337e-03 -3.472041254e-02 -5.165333828e-02 5.54 -2.066447076e-03 -3.319270312e-02 -4.942698262e-02 5.56 -1.763648925e-03 -3.168071056e-02 -4.721418965e-02 5.58 -1.504064032e-03 -3.018203217e-02 -4.501286852e-02 5.60 -1.281941847e-03 -2.869495533e-02 -4.282175881e-02 5.62 -1.092170792e-03 -2.721853063e-02 -4.064054702e-02 5.64 -9.302443603e-04 -2.575264135e-02 -3.846999929e-02 5.66 -7.922168948e-04 -2.429806150e-02 -3.631207314e-02 5.68 -6.746538852e-04 -2.285649279e-02 -3.416999466e-02 5.70 -5.745804038e-04 -2.143057104e-02 -3.204828653e-02 5.72 -4.894302246e-04 -2.002383255e-02 -2.995273364e-02 5.74 -4.169973060e-04 -1.864063359e-02 -2.789027593e-02 5.76 -3.553906803e-04 -1.728601620e-02 -2.586881867e-02 5.78 -3.029933073e-04 -1.596537253e-02 -2.389673890e-02 5.80 -2.584250943e-04 -1.468450937e-02 -2.198299046e-02 5.82 -2.205100410e-04 -1.344937380e-02 -2.013669963e-02 5.84 -1.882473309e-04 -1.226566716e-02 -1.836659206e-02 5.86 -1.607860871e-04 -1.113858371e-02 -1.668060580e-02 5.88 -1.374034626e-04 -1.007257726e-02 -1.508554536e-02 5.90 -1.174857215e-04 -9.071173697e-03 -1.358680427e-02 5.92 -1.005119728e-04 -8.136842664e-03 -1.218817548e-02 5.94 -8.604023284e-05 -7.270934936e-03 -1.089176000e-02 5.96 -7.369551363e-05 -6.473685155e-03 -9.697973146e-03 5.98 -6.315966837e-05 -5.744273429e-03 -8.605638715e-03 6.00 -5.416275099e-05 -5.080934492e-03 -7.612154255e-03