# 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 = MoPb3 # 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 5.137888834e+02 nan nan 1.16 4.775690340e+02 nan nan 1.18 4.440794448e+02 nan nan 1.20 4.130796040e+02 nan nan 1.22 3.843511867e+02 nan nan 1.24 3.577007547e+02 nan nan 1.26 3.329611387e+02 nan nan 1.28 3.099884968e+02 4.538767790e+02 5.110899587e+02 1.30 2.886554752e+02 4.245766501e+02 4.786334721e+02 1.32 2.688438472e+02 3.972581784e+02 4.483918831e+02 1.34 2.504399987e+02 3.717802263e+02 4.202082219e+02 1.36 2.333339396e+02 3.480171445e+02 3.939322976e+02 1.38 2.174206834e+02 3.258533972e+02 3.694190024e+02 1.40 2.026022542e+02 3.051792033e+02 3.465299035e+02 1.42 1.887893383e+02 2.858882182e+02 3.251358009e+02 1.44 1.759022238e+02 2.678774280e+02 3.051186698e+02 1.46 1.638710691e+02 2.510485059e+02 2.863725060e+02 1.48 1.526353089e+02 2.353095183e+02 2.688032877e+02 1.50 1.421420935e+02 2.205761132e+02 2.523282281e+02 1.52 1.323440786e+02 2.067718157e+02 2.368743819e+02 1.54 1.231971120e+02 1.938276061e+02 2.223767358e+02 1.56 1.146585479e+02 1.816811493e+02 2.087759417e+02 1.58 1.066865049e+02 1.702759634e+02 1.960162105e+02 1.60 9.924005926e+01 1.595606349e+02 1.840438758e+02 1.62 9.228183775e+01 1.494881576e+02 1.728068445e+02 1.64 8.578386797e+01 1.400154123e+02 1.622548405e+02 1.66 7.972778661e+01 1.311028491e+02 1.523400350e+02 1.68 7.408090724e+01 1.227143273e+02 1.430176379e+02 1.70 6.881306251e+01 1.148170112e+02 1.342462411e+02 1.72 6.389683342e+01 1.073812650e+02 1.259878274e+02 1.74 5.930719494e+01 1.003804600e+02 1.182075836e+02 1.76 5.502129677e+01 9.379173127e+01 1.108736012e+02 1.78 5.101831277e+01 8.759738361e+01 1.039565757e+02 1.80 4.727928360e+01 8.179340497e+01 9.743036471e+01 1.82 4.378694831e+01 7.636328360e+01 9.127159887e+01 1.84 4.052558177e+01 7.128563210e+01 8.546137143e+01 1.86 3.748082824e+01 6.653913315e+01 7.999260834e+01 1.88 3.463952486e+01 6.210261036e+01 7.484544127e+01 1.90 3.198948669e+01 5.795528644e+01 7.000073198e+01 1.92 2.951924655e+01 5.407711193e+01 6.544132275e+01 1.94 2.721780513e+01 5.044905436e+01 6.115186638e+01 1.96 2.507444424e+01 4.705330670e+01 5.711853370e+01 1.98 2.307865029e+01 4.387338537e+01 5.332860381e+01 2.00 2.122014817e+01 4.089412684e+01 4.977001399e+01 2.02 1.948902497e+01 3.810161281e+01 4.643097597e+01 2.04 1.787587328e+01 3.548304747e+01 4.329972168e+01 2.06 1.637193553e+01 3.302662336e+01 4.036442223e+01 2.08 1.496918688e+01 3.072140664e+01 3.761325725e+01 2.10 1.366035992e+01 2.855725840e+01 3.503459650e+01 2.12 1.243891254e+01 2.652479472e+01 3.261721099e+01 2.14 1.129895706e+01 2.461537055e+01 3.035045416e+01 2.16 1.023517380e+01 2.282106167e+01 2.822437401e+01 2.18 9.242711101e+00 2.113463257e+01 2.622974966e+01 2.20 8.317107592e+00 1.954947510e+01 2.435807262e+01 2.22 7.454215898e+00 1.805953948e+01 2.260148910e+01 2.24 6.650149978e+00 1.665925711e+01 2.095273824e+01 2.26 5.901248221e+00 1.534346897e+01 1.940508737e+01 2.28 5.204053139e+00 1.410736276e+01 1.795227827e+01 2.30 4.555301525e+00 1.294641994e+01 1.658847067e+01 2.32 3.951921145e+00 1.185637335e+01 1.530820138e+01 2.34 3.391090745e+00 1.083317580e+01 1.410634533e+01 2.36 2.870160574e+00 9.872978083e+00 1.297808615e+01 2.38 2.386459930e+00 8.972116107e+00 1.191889518e+01 2.40 1.937488248e+00 8.127105073e+00 1.092451756e+01 2.42 1.520907034e+00 7.334640030e+00 9.990962318e+00 2.44 1.134528781e+00 6.591597214e+00 9.114494483e+00 2.46 7.763098980e-01 5.895038807e+00 8.291627213e+00 2.48 4.443459491e-01 5.242215004e+00 7.519112033e+00 2.50 1.368732484e-01 4.630563351e+00 6.793928500e+00 2.52 -1.476271634e-01 4.057703943e+00 6.113266648e+00 2.54 -4.104721958e-01 3.521444326e+00 5.474511814e+00 2.56 -6.529007707e-01 3.019842164e+00 4.875225935e+00 2.58 -8.760781870e-01 2.550931847e+00 4.313129859e+00 2.60 -1.081101302e+00 2.112849811e+00 3.786087087e+00 2.62 -1.269000060e+00 1.703859600e+00 3.292121281e+00 2.64 -1.440743130e+00 1.322329663e+00 2.829436404e+00 2.66 -1.597239620e+00 9.667202112e-01 2.396145903e+00 2.68 -1.739341868e+00 6.355667173e-01 1.990457891e+00 2.70 -1.867847070e+00 3.274712305e-01 1.610688925e+00 2.72 -1.983499441e+00 4.109805350e-02 1.255254358e+00 2.74 -2.086993393e+00 -2.247649757e-01 9.226624880e-01 2.76 -2.178977826e+00 -4.711804992e-01 6.115120441e-01 2.78 -2.260060776e+00 -6.991667691e-01 3.204919520e-01 2.80 -2.330815420e+00 -9.097011068e-01 4.839732390e-02 2.82 -2.391781866e+00 -1.103711407e+00 -2.057775460e-01 2.84 -2.443471022e+00 -1.282072126e+00 -4.429306110e-01 2.86 -2.486364858e+00 -1.445601971e+00 -6.639090137e-01 2.88 -2.520919487e+00 -1.595064878e+00 -8.695080156e-01 2.90 -2.547562027e+00 -1.731173923e+00 -1.060471413e+00 2.92 -2.566694190e+00 -1.854597713e+00 -1.237493328e+00 2.94 -2.578700170e+00 -1.965968520e+00 -1.401221062e+00 2.96 -2.583945061e+00 -2.065891154e+00 -1.552257024e+00 2.98 -2.582788651e+00 -2.154951506e+00 -1.691171140e+00 3.00 -2.575593750e+00 -2.233723731e+00 -1.818493726e+00 3.02 -2.562760081e+00 -2.302775284e+00 -1.934729872e+00 3.04 -2.544841441e+00 -2.362668294e+00 -2.040362507e+00 3.06 -2.522061846e+00 -2.413964353e+00 -2.135857135e+00 3.08 -2.494652499e+00 -2.457215093e+00 -2.221665374e+00 3.10 -2.462941432e+00 -2.492964398e+00 -2.298227046e+00 3.12 -2.427341422e+00 -2.521741998e+00 -2.365970782e+00 3.14 -2.388324733e+00 -2.544065434e+00 -2.425313367e+00 3.16 -2.346338948e+00 -2.560427324e+00 -2.476658196e+00 3.18 -2.301834153e+00 -2.571297778e+00 -2.520393259e+00 3.20 -2.255293724e+00 -2.577132867e+00 -2.556888825e+00 3.22 -2.207208924e+00 -2.578368866e+00 -2.586496955e+00 3.24 -2.158056871e+00 -2.575331317e+00 -2.609548744e+00 3.26 -2.108283232e+00 -2.568317725e+00 -2.626355857e+00 3.28 -2.058289536e+00 -2.557599956e+00 -2.637211816e+00 3.30 -2.008424714e+00 -2.543423149e+00 -2.642395200e+00 3.32 -1.958980456e+00 -2.526054539e+00 -2.642174428e+00 3.34 -1.910189147e+00 -2.505738352e+00 -2.636813932e+00 3.36 -1.862229440e+00 -2.482540717e+00 -2.626581298e+00 3.38 -1.815224910e+00 -2.456536266e+00 -2.611769593e+00 3.40 -1.769254422e+00 -2.427827841e+00 -2.592814043e+00 3.42 -1.724357092e+00 -2.396555619e+00 -2.569900986e+00 3.44 -1.680545124e+00 -2.362894315e+00 -2.543203313e+00 3.46 -1.637802802e+00 -2.327023573e+00 -2.512968055e+00 3.48 -1.596099125e+00 -2.289126501e+00 -2.479511502e+00 3.50 -1.555391093e+00 -2.249423546e+00 -2.443206854e+00 3.52 -1.515633387e+00 -2.208164066e+00 -2.404465224e+00 3.54 -1.476775340e+00 -2.165614517e+00 -2.363662322e+00 3.56 -1.438769317e+00 -2.122046664e+00 -2.321188397e+00 3.58 -1.401571721e+00 -2.077726946e+00 -2.277443638e+00 3.60 -1.365144500e+00 -2.032907912e+00 -2.232816453e+00 3.62 -1.329455894e+00 -1.987822210e+00 -2.187665900e+00 3.64 -1.294480552e+00 -1.942679190e+00 -2.142309339e+00 3.66 -1.260199173e+00 -1.897663809e+00 -2.097015596e+00 3.68 -1.226597814e+00 -1.852937260e+00 -2.052003170e+00 3.70 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-1.359915475e+00 4.06 -7.124145194e-01 -1.148250651e+00 -1.327975169e+00 4.08 -6.915811132e-01 -1.119309214e+00 -1.296613838e+00 4.10 -6.713104391e-01 -1.091044968e+00 -1.265815636e+00 4.12 -6.515900837e-01 -1.063444637e+00 -1.235565455e+00 4.14 -6.324072105e-01 -1.036483815e+00 -1.205849149e+00 4.16 -6.137486270e-01 -1.010143187e+00 -1.176653812e+00 4.18 -5.956008545e-01 -9.844041129e-01 -1.147968092e+00 4.20 -5.779476692e-01 -9.592485702e-01 -1.119782508e+00 4.22 -5.607807532e-01 -9.346591258e-01 -1.092089725e+00 4.24 -5.440831533e-01 -9.106189497e-01 -1.064884752e+00 4.26 -5.278410092e-01 -8.871118584e-01 -1.038164996e+00 4.28 -5.120405499e-01 -8.641223806e-01 -1.011930155e+00 4.30 -4.966681638e-01 -8.416358379e-01 -9.861819190e-01 4.32 -4.817104624e-01 -8.196384268e-01 -9.609235023e-01 4.34 -4.671543326e-01 -7.981172928e-01 -9.361590324e-01 4.36 -4.529863028e-01 -7.770605859e-01 -9.118928710e-01 4.38 -4.391953722e-01 -7.564574909e-01 -8.881289405e-01 4.40 -4.257686152e-01 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-2.339290350e-01 -4.419973635e-01 -5.279077027e-01 4.78 -2.254077598e-01 -4.291004189e-01 -5.132539002e-01 4.80 -2.170581200e-01 -4.165206840e-01 -4.989753724e-01 4.82 -2.088771122e-01 -4.042546596e-01 -4.850645551e-01 4.84 -2.008634870e-01 -3.922912793e-01 -4.715139098e-01 4.86 -1.930178632e-01 -3.806218840e-01 -4.583159172e-01 4.88 -1.853427610e-01 -3.692376665e-01 -4.454630755e-01 4.90 -1.778425336e-01 -3.581297287e-01 -4.329479002e-01 4.92 -1.705231811e-01 -3.472891464e-01 -4.207629269e-01 4.94 -1.633920399e-01 -3.367070434e-01 -4.089007158e-01 4.96 -1.564573544e-01 -3.263746747e-01 -3.973538562e-01 4.98 -1.497277502e-01 -3.162835213e-01 -3.861149730e-01 5.00 -1.432116454e-01 -3.064253943e-01 -3.751767317e-01 5.02 -1.369166445e-01 -2.967925508e-01 -3.645318438e-01 5.04 -1.308489663e-01 -2.873778177e-01 -3.541730722e-01 5.06 -1.250129577e-01 -2.781747202e-01 -3.440932351e-01 5.08 -1.194107351e-01 -2.691776123e-01 -3.342852093e-01 5.10 -1.140419805e-01 -2.603817996e-01 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-1.909269401e-02 -6.871671587e-02 -1.016616722e-01 5.84 -1.810738847e-02 -6.572049576e-02 -9.734302296e-02 5.86 -1.715967046e-02 -6.276422206e-02 -9.306258434e-02 5.88 -1.624613534e-02 -5.984585364e-02 -8.882001887e-02 5.90 -1.536385256e-02 -5.696435615e-02 -8.461615796e-02 5.92 -1.451037810e-02 -5.411973355e-02 -8.045308716e-02 5.94 -1.368375596e-02 -5.131303187e-02 -7.633420481e-02 5.96 -1.288250912e-02 -4.854610210e-02 -7.226424614e-02 5.98 -1.210561985e-02 -4.582202224e-02 -6.824926222e-02 6.00 -1.135249981e-02 -4.314493864e-02 -6.429654845e-02