# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Liu-Z-Li-B-Guo-Y-et-al--Mo-Re # implementation = 2025--Liu-Z--Mo-Re--LAMMPS--ipr1 # composition = Mo # 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 2025-12-17 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 5.579534083e+03 nan 0.68 nan nan nan nan nan nan nan nan 4.831110738e+03 nan 0.70 nan nan nan nan nan nan nan nan 4.198314802e+03 nan 0.72 nan nan nan nan nan 3.361329828e+03 nan nan 3.659698500e+03 nan 0.74 nan nan nan nan nan 2.949160173e+03 nan nan 3.198765899e+03 nan 0.76 nan nan nan nan nan 2.596308166e+03 nan nan 2.804062013e+03 nan 0.78 nan nan nan nan nan 2.293297989e+03 nan nan 2.463248513e+03 nan 0.80 nan nan nan 5.488673358e+03 5.488505634e+03 2.031888047e+03 nan nan 2.168511295e+03 3.331680996e+03 0.82 nan 2.749074061e+03 nan 4.863461031e+03 4.862363168e+03 1.805365164e+03 2.929654751e+03 nan 1.913286000e+03 2.946321415e+03 0.84 nan 2.427234476e+03 nan 4.318644580e+03 4.317007084e+03 1.606980992e+03 2.594199851e+03 nan 1.693926349e+03 2.611580198e+03 0.86 nan 2.147606492e+03 nan 3.842550749e+03 3.841541545e+03 1.433079726e+03 2.300759766e+03 nan 1.503969702e+03 2.317349730e+03 0.88 nan 1.904001422e+03 nan 3.424386598e+03 3.423889508e+03 1.280694111e+03 2.043874462e+03 nan 1.339424891e+03 2.060157563e+03 0.90 nan 1.690974905e+03 nan 3.056851627e+03 3.056893322e+03 1.146078043e+03 1.818166623e+03 nan 1.196038384e+03 1.836036213e+03 0.92 2.732978819e+03 1.505431390e+03 2.360782456e+03 2.733206676e+03 2.733595921e+03 1.026741566e+03 1.619863073e+03 2.470174063e+03 1.071414777e+03 1.640925362e+03 0.94 2.445027079e+03 1.343764191e+03 2.112075996e+03 2.445661230e+03 2.446616208e+03 9.206515529e+02 1.446177984e+03 2.207112166e+03 9.620463586e+02 1.468383171e+03 0.96 2.189590549e+03 1.202692482e+03 1.891622888e+03 2.190548737e+03 2.191800385e+03 8.258606325e+02 1.293344226e+03 1.973790492e+03 8.658345865e+02 1.316774877e+03 0.98 1.962544128e+03 1.079117406e+03 1.695347315e+03 1.963677622e+03 1.964948771e+03 7.407582414e+02 1.160025637e+03 1.767266253e+03 7.808971728e+02 1.183223960e+03 1.00 1.760192257e+03 9.703385797e+02 1.520029390e+03 1.761317180e+03 1.762385371e+03 6.640677742e+02 1.042494082e+03 1.585542634e+03 7.054577457e+02 1.065108931e+03 1.02 1.582817707e+03 8.750426395e+02 1.365321421e+03 1.583369261e+03 1.583729601e+03 5.953689107e+02 9.400163192e+02 1.426044175e+03 6.385765155e+02 9.620207527e+02 1.04 1.426573694e+03 7.905010537e+02 1.228371013e+03 1.426590053e+03 1.426378691e+03 5.340974730e+02 8.510737108e+02 1.285729660e+03 5.794348760e+02 8.715403320e+02 1.06 1.288832540e+03 7.155562279e+02 1.109510175e+03 1.288812442e+03 1.288621587e+03 4.803912095e+02 7.738173548e+02 1.161931510e+03 5.268451407e+02 7.919279924e+02 1.08 1.167049579e+03 6.499018848e+02 1.004153994e+03 1.166776937e+03 1.166462928e+03 4.321178175e+02 7.058171938e+02 1.052255783e+03 4.796352011e+02 7.215572363e+02 1.10 1.058879639e+03 5.918404971e+02 9.108167016e+02 1.058306340e+03 1.057818152e+03 3.887971449e+02 6.457523689e+02 9.547328396e+02 4.370231690e+02 6.590076520e+02 1.12 9.624609978e+02 5.403773046e+02 8.286631518e+02 9.618054472e+02 9.612950678e+02 3.502594426e+02 5.923920225e+02 8.683082728e+02 3.986424695e+02 6.031313675e+02 1.14 8.763202117e+02 4.950471323e+02 7.561929844e+02 8.757917364e+02 8.753932045e+02 3.159759058e+02 5.446564995e+02 7.913362874e+02 3.640016451e+02 5.529546111e+02 1.16 7.999379399e+02 4.549989649e+02 6.920170829e+02 7.995837847e+02 7.993011101e+02 2.854074619e+02 5.016379317e+02 7.238278755e+02 3.324171287e+02 5.078905122e+02 1.18 7.331470387e+02 4.198608085e+02 6.349723344e+02 7.328368269e+02 7.325322860e+02 2.580741251e+02 4.626595142e+02 6.632502884e+02 3.036769649e+02 4.675282732e+02 1.20 6.724220532e+02 3.887807496e+02 5.840726004e+02 6.723048636e+02 6.721407191e+02 2.335695112e+02 4.271779680e+02 6.091134083e+02 2.775189221e+02 4.303988910e+02 1.22 6.181510311e+02 3.611827886e+02 5.384923681e+02 6.181818955e+02 6.181447272e+02 2.115463169e+02 3.947459228e+02 5.611065157e+02 2.536723364e+02 3.964334543e+02 1.24 5.700297716e+02 3.365016480e+02 4.985156019e+02 5.701615785e+02 5.702398988e+02 1.928049404e+02 3.653873990e+02 5.184753764e+02 2.323140475e+02 3.654201802e+02 1.26 5.272523233e+02 3.142047423e+02 4.624410391e+02 5.273696089e+02 5.274665262e+02 1.759012211e+02 3.382183059e+02 4.804342983e+02 2.128221990e+02 3.370343006e+02 1.28 4.890323834e+02 2.938494583e+02 4.296974704e+02 4.890635863e+02 4.891046839e+02 1.604578917e+02 3.131120238e+02 4.463129625e+02 1.947957895e+02 3.109770754e+02 1.30 4.546783429e+02 2.751096627e+02 4.002866768e+02 4.546391647e+02 4.546191594e+02 1.467621625e+02 2.899480876e+02 4.155435738e+02 1.783085766e+02 2.869942782e+02 1.32 4.236527882e+02 2.577537760e+02 3.738626152e+02 4.235758571e+02 4.235132696e+02 1.347527063e+02 2.685327831e+02 3.876484517e+02 1.632947666e+02 2.648949474e+02 1.34 3.955138765e+02 2.415932427e+02 3.499965258e+02 3.954269566e+02 3.953452383e+02 1.242145223e+02 2.486751142e+02 3.622821683e+02 1.496274358e+02 2.445083200e+02 1.36 3.698596136e+02 2.264874330e+02 3.283195880e+02 3.697924257e+02 3.697240447e+02 1.149420376e+02 2.302277163e+02 3.391474132e+02 1.378830784e+02 2.256606720e+02 1.38 3.463287986e+02 2.123211842e+02 3.085233052e+02 3.463099369e+02 3.462879185e+02 1.067573944e+02 2.136088187e+02 3.177841480e+02 1.269434610e+02 2.081972332e+02 1.40 3.246360898e+02 1.989898646e+02 2.903508337e+02 3.246866690e+02 3.247343806e+02 9.950496583e+01 1.982700689e+02 2.980584456e+02 1.168659616e+02 1.919955470e+02 1.42 3.047601543e+02 1.863990305e+02 2.735576224e+02 3.048834809e+02 3.050052451e+02 9.303438931e+01 1.838111371e+02 2.799467035e+02 1.077009106e+02 1.773240586e+02 1.44 2.867533835e+02 1.744510607e+02 2.579164163e+02 2.869350187e+02 2.871166768e+02 8.720190957e+01 1.703963662e+02 2.634507348e+02 9.938846647e+01 1.646042447e+02 1.46 2.699181481e+02 1.630546032e+02 2.432224906e+02 2.701356742e+02 2.703546996e+02 8.187452189e+01 1.580456192e+02 2.480358859e+02 9.181246093e+01 1.525109834e+02 1.48 2.542544355e+02 1.521341757e+02 2.293086527e+02 2.544853285e+02 2.547186977e+02 7.693984215e+01 1.466789098e+02 2.336638780e+02 8.486328837e+01 1.412625784e+02 1.50 2.397313959e+02 1.416316935e+02 2.160666581e+02 2.399549375e+02 2.401812944e+02 7.233349575e+01 1.361952713e+02 2.202810409e+02 7.845688974e+01 1.310108325e+02 1.52 2.262405627e+02 1.315070796e+02 2.034126957e+02 2.264383437e+02 2.266387692e+02 6.800799265e+01 1.265014672e+02 2.077846110e+02 7.252376828e+01 1.217260972e+02 1.54 2.136468098e+02 1.217316490e+02 1.912928098e+02 2.138058240e+02 2.139668823e+02 6.392990492e+01 1.175146099e+02 1.960594315e+02 6.700374288e+01 1.132860704e+02 1.56 2.018425165e+02 1.122886762e+02 1.796760629e+02 2.019540662e+02 2.020666542e+02 6.007639280e+01 1.091499236e+02 1.850093190e+02 6.184493751e+01 1.055892211e+02 1.58 1.907336177e+02 1.031774491e+02 1.685387140e+02 1.907922386e+02 1.908506669e+02 5.642742210e+01 1.013265017e+02 1.745445631e+02 5.700412671e+01 9.854483983e+01 1.60 1.802352745e+02 9.440500623e+01 1.578632126e+02 1.802383647e+02 1.802401855e+02 5.296555909e+01 9.397640823e+01 1.645766272e+02 5.244193118e+01 9.206901206e+01 1.62 1.702681557e+02 8.598062031e+01 1.476361178e+02 1.702165997e+02 1.701629999e+02 4.967576496e+01 8.746957468e+01 1.550284385e+02 4.812917820e+01 8.608243924e+01 1.64 1.607488336e+02 7.812224173e+01 1.378412020e+02 1.606496174e+02 1.605479558e+02 4.654520380e+01 8.119353703e+01 1.458361981e+02 4.433531326e+01 8.050572221e+01 1.66 1.515977501e+02 7.101421519e+01 1.284640303e+02 1.514645143e+02 1.513288747e+02 4.356307230e+01 7.513140435e+01 1.369445487e+02 4.080623879e+01 7.526326545e+01 1.68 1.427439625e+02 6.406319787e+01 1.194938774e+02 1.425965153e+02 1.424472018e+02 4.072033631e+01 6.936216691e+01 1.283172602e+02 3.737188803e+01 7.028532862e+01 1.70 1.341389484e+02 5.736950964e+01 1.109117013e+02 1.339986659e+02 1.338574076e+02 3.800381099e+01 6.391385874e+01 1.199350987e+02 3.409168736e+01 6.551453483e+01 1.72 1.257633654e+02 5.106049118e+01 1.026850093e+02 1.256469595e+02 1.255305528e+02 3.539262947e+01 5.877796389e+01 1.117917562e+02 3.100542638e+01 6.092473503e+01 1.74 1.176138914e+02 4.519082064e+01 9.500757338e+01 1.175315937e+02 1.174500891e+02 3.286692486e+01 5.392654288e+01 1.038900690e+02 2.812285661e+01 5.650646113e+01 1.76 1.096914730e+02 3.975556670e+01 8.795657747e+01 1.096469647e+02 1.096037274e+02 3.040879289e+01 4.933381165e+01 9.623608454e+01 2.542519890e+01 5.225282010e+01 1.78 1.019999453e+02 3.473258991e+01 8.099516584e+01 1.019905636e+02 1.019826473e+02 2.800256294e+01 4.497729619e+01 8.883832605e+01 2.289310570e+01 4.815872579e+01 1.80 9.454563522e+01 3.046927431e+01 7.418807792e+01 9.456494864e+01 9.458568136e+01 2.564316959e+01 4.084095535e+01 8.170540170e+01 2.051210930e+01 4.422055476e+01 1.82 8.733705416e+01 2.680490323e+01 6.764805831e+01 8.737782084e+01 8.741976344e+01 2.333570550e+01 3.691172586e+01 7.484213409e+01 1.827017827e+01 4.043600895e+01 1.84 8.038461876e+01 2.327432780e+01 6.142603362e+01 8.043899899e+01 8.049415694e+01 2.108625207e+01 3.317801749e+01 6.825373633e+01 1.615631192e+01 3.680405947e+01 1.86 7.369987025e+01 1.992986024e+01 5.553509696e+01 7.375949882e+01 7.381940120e+01 1.890129432e+01 2.962944101e+01 6.193961986e+01 1.416057479e+01 3.332461580e+01 1.88 6.728488733e+01 1.685363190e+01 4.996640955e+01 6.734215487e+01 6.739921114e+01 1.678760983e+01 2.625655543e+01 5.589213919e+01 1.227363416e+01 2.999492293e+01 1.90 6.113202888e+01 1.407564392e+01 4.471211585e+01 6.118138414e+01 6.123022686e+01 1.475215526e+01 2.322128735e+01 5.010454976e+01 1.048675979e+01 2.680940877e+01 1.92 5.523405543e+01 1.158765215e+01 3.976540713e+01 5.527215646e+01 5.530967249e+01 1.280195188e+01 2.037685168e+01 4.457368555e+01 8.792690390e+00 2.376313570e+01 1.94 4.958427002e+01 9.356861297e+00 3.512024549e+01 4.961006813e+01 4.963536605e+01 1.094397138e+01 1.761897922e+01 3.929765453e+01 7.185409661e+00 2.085176925e+01 1.96 4.417656319e+01 7.352354422e+00 3.077096808e+01 4.419119219e+01 4.420548748e+01 9.185023994e+00 1.497334411e+01 3.503939495e+01 5.662444134e+00 1.807135387e+01 1.98 3.900736044e+01 5.551890784e+00 2.671078889e+01 3.901359095e+01 3.901966109e+01 7.530587280e+00 1.247092984e+01 3.089374388e+01 4.227236265e+00 1.541866629e+01 2.00 3.408142127e+01 3.938483356e+00 2.292670639e+01 3.408198734e+01 3.408250434e+01 5.979600916e+00 1.012597241e+01 2.680410069e+01 2.880981516e+00 1.289314795e+01 2.02 3.055201921e+01 2.696600115e+00 2.023886388e+01 3.054899576e+01 3.054596543e+01 5.146943924e+00 8.448169956e+00 2.329897972e+01 2.076070791e+00 1.122562261e+01 2.04 2.707098801e+01 1.571083722e+00 1.764298400e+01 2.706602285e+01 2.706105769e+01 4.300410357e+00 6.834040653e+00 1.996413003e+01 1.274036140e+00 9.550206499e+00 2.06 2.354686310e+01 5.337869138e-01 1.505843677e+01 2.354113724e+01 2.353541137e+01 3.385283980e+00 5.242966339e+00 1.681665029e+01 4.404749473e-01 7.809429074e+00 2.08 2.009756618e+01 -4.109485619e-01 1.255191424e+01 2.009181063e+01 2.008605509e+01 2.447714288e+00 3.717594276e+00 1.390984967e+01 -3.865561672e-01 6.073887505e+00 2.10 1.686551513e+01 -1.255920722e+00 1.021314108e+01 1.686011649e+01 1.685471786e+01 1.547582508e+00 2.309063017e+00 1.127760065e+01 -1.161610414e+00 4.428759472e+00 2.12 1.392443026e+01 -2.002275139e+00 8.091912562e+00 1.391971385e+01 1.391499743e+01 7.283664873e-01 1.046402165e+00 8.929769396e+00 -1.853970399e+00 2.925423476e+00 2.14 1.129923215e+01 -2.658496870e+00 6.203944761e+00 1.129545911e+01 1.129168608e+01 8.160364941e-03 -6.188339745e-02 6.859465904e+00 -2.451021645e+00 1.584460468e+00 2.16 8.967752479e+00 -3.236059751e+00 4.531584896e+00 8.965110100e+00 8.962467722e+00 -6.203954141e-01 -1.026830933e+00 5.043572828e+00 -2.958332303e+00 3.969472894e-01 2.18 6.907133132e+00 -3.741832325e+00 3.056760280e+00 6.905733462e+00 6.904333792e+00 -1.165209446e+00 -1.859662742e+00 3.458503468e+00 -3.384127216e+00 -6.466373051e-01 2.20 5.095370887e+00 -4.182187406e+00 1.762017495e+00 5.095248868e+00 5.095126849e+00 -1.633972250e+00 -2.571270890e+00 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