# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Wilson-S-R-Mendelev-M-I--Ni-Zr # implementation = EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 # composition = NiZr3 # 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 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 6.802421935e+02 nan nan 1.70 5.723227205e+02 nan nan 1.72 4.819562483e+02 nan nan 1.74 4.062008529e+02 nan nan 1.76 3.426123460e+02 nan nan 1.78 2.891634082e+02 nan nan 1.80 2.441764392e+02 nan nan 1.82 2.062634506e+02 nan nan 1.84 1.742743575e+02 6.420108175e+02 nan 1.86 1.472513399e+02 5.486226644e+02 nan 1.88 1.243942033e+02 4.692242586e+02 7.070637910e+02 1.90 1.050826315e+02 4.016527566e+02 6.074587681e+02 1.92 8.877228800e+01 3.440842870e+02 5.223915130e+02 1.94 7.497395443e+01 2.949789207e+02 4.496414238e+02 1.96 6.327989977e+01 2.530374725e+02 3.873332444e+02 1.98 5.335024088e+01 2.171644722e+02 3.338836645e+02 2.00 4.490157616e+01 1.864393157e+02 2.879567929e+02 2.02 3.769845356e+01 1.601062241e+02 2.484272289e+02 2.04 3.154616741e+01 1.375034490e+02 2.143467470e+02 2.06 2.628475995e+01 1.180656772e+02 1.849171772e+02 2.08 2.177760181e+01 1.013160642e+02 1.594691631e+02 2.10 1.791037438e+01 8.685348339e+01 1.374428380e+02 2.12 1.458737309e+01 7.434189161e+01 1.183670770e+02 2.14 1.172679815e+01 6.350149365e+01 1.018411063e+02 2.16 9.259134344e+00 5.409937560e+01 8.751991092e+01 2.18 7.125440484e+00 4.593986456e+01 7.510398435e+01 2.20 5.276347254e+00 3.885821181e+01 6.433360295e+01 2.22 3.670920973e+00 3.271365222e+01 5.498401701e+01 2.24 2.274774634e+00 2.738367523e+01 4.686121977e+01 2.26 1.058747848e+00 2.276079585e+01 3.979826650e+01 2.28 -2.234136903e-03 1.875070248e+01 3.365208408e+01 2.30 -9.300065558e-01 1.527095287e+01 2.829996231e+01 2.32 -1.735821440e+00 1.226751663e+01 2.366181945e+01 2.34 -2.430260765e+00 9.690301768e+00 1.966274238e+01 2.36 -3.029424012e+00 7.478231268e+00 1.621100672e+01 2.38 -3.546551852e+00 5.578714190e+00 1.322783914e+01 2.40 -3.992148681e+00 3.946842271e+00 1.064591463e+01 2.42 -4.374068826e+00 2.544392070e+00 8.408074838e+00 2.44 -4.698567253e+00 1.338591208e+00 6.466162104e+00 2.46 -4.971479385e+00 3.014296780e-01 4.780020117e+00 2.48 -5.198385276e+00 -5.909106977e-01 3.316536649e+00 2.50 -5.384674233e+00 -1.358628254e+00 2.047680941e+00 2.52 -5.535612540e+00 -2.018896321e+00 9.489438535e-01 2.54 -5.656226419e+00 -2.586499134e+00 -1.413285772e-03 2.56 -5.751090782e+00 -3.074405385e+00 -8.230608924e-01 2.58 -5.824236417e+00 -3.493847656e+00 -1.533621568e+00 2.60 -5.879261316e+00 -3.854402697e+00 -2.148677805e+00 2.62 -5.919419901e+00 -4.164221613e+00 -2.681936106e+00 2.64 -5.947544200e+00 -4.430355124e+00 -3.145354972e+00 2.66 -5.965953952e+00 -4.659016069e+00 -3.549230709e+00 2.68 -5.976371189e+00 -4.855694359e+00 -3.902242698e+00 2.70 -5.979849495e+00 -5.025227294e+00 -4.211476077e+00 2.72 -5.976859019e+00 -5.171841744e+00 -4.482689343e+00 2.74 -5.967496451e+00 -5.299174848e+00 -4.720730782e+00 2.76 -5.951869198e+00 -5.410252276e+00 -4.929637361e+00 2.78 -5.930605443e+00 -5.507521161e+00 -5.112691472e+00 2.80 -5.904333847e+00 -5.593060069e+00 -5.272499747e+00 2.82 -5.873150918e+00 -5.668595145e+00 -5.411101513e+00 2.84 -5.837093742e+00 -5.735403187e+00 -5.530108958e+00 2.86 -5.796485129e+00 -5.794194879e+00 -5.630893446e+00 2.88 -5.751808799e+00 -5.844989544e+00 -5.714836465e+00 2.90 -5.703562085e+00 -5.887162486e+00 -5.783529577e+00 2.92 -5.652180482e+00 -5.920066692e+00 -5.838557418e+00 2.94 -5.598136677e+00 -5.943332216e+00 -5.881355969e+00 2.96 -5.541938441e+00 -5.956909935e+00 -5.913216575e+00 2.98 -5.484077329e+00 -5.961040170e+00 -5.935284138e+00 3.00 -5.424987614e+00 -5.956237027e+00 -5.948544326e+00 3.02 -5.364989252e+00 -5.943656580e+00 -5.953812543e+00 3.04 -5.304272392e+00 -5.925133206e+00 -5.951851127e+00 3.06 -5.243103081e+00 -5.902447298e+00 -5.943483710e+00 3.08 -5.181984663e+00 -5.876827194e+00 -5.929587422e+00 3.10 -5.120919109e+00 -5.849070420e+00 -5.911320140e+00 3.12 -5.058965840e+00 -5.819653613e+00 -5.890286022e+00 3.14 -4.995726506e+00 -5.788722099e+00 -5.867994980e+00 3.16 -4.931995153e+00 -5.756106085e+00 -5.845246558e+00 3.18 -4.868669373e+00 -5.721557589e+00 -5.822130335e+00 3.20 -4.806124063e+00 -5.684900499e+00 -5.798220017e+00 3.22 -4.744199003e+00 -5.646030857e+00 -5.772983407e+00 3.24 -4.682320999e+00 -5.604878436e+00 -5.746004682e+00 3.26 -4.619871036e+00 -5.561380217e+00 -5.716960374e+00 3.28 -4.556374355e+00 -5.515466590e+00 -5.685615564e+00 3.30 -4.491514892e+00 -5.467046627e+00 -5.651836590e+00 3.32 -4.425155062e+00 -5.416030879e+00 -5.615549500e+00 3.34 -4.357355350e+00 -5.362577282e+00 -5.576713020e+00 3.36 -4.288274307e+00 -5.307135003e+00 -5.535309885e+00 3.38 -4.218077803e+00 -5.249516549e+00 -5.491346577e+00 3.40 -4.146926761e+00 -5.188678514e+00 -5.444868567e+00 3.42 -4.074973260e+00 -5.124184392e+00 -5.396140438e+00 3.44 -4.002361898e+00 -5.056730196e+00 -5.345722733e+00 3.46 -3.929235129e+00 -4.987225358e+00 -5.293853703e+00 3.48 -3.855740583e+00 -4.916310974e+00 -5.239889524e+00 3.50 -3.782036511e+00 -4.844403026e+00 -5.183082530e+00 3.52 -3.708291636e+00 -4.771754037e+00 -5.123653364e+00 3.54 -3.634671085e+00 -4.698556370e+00 -5.062458874e+00 3.56 -3.561321129e+00 -4.625036194e+00 -5.000220980e+00 3.58 -3.488370111e+00 -4.551449723e+00 -4.937393585e+00 3.60 -3.415928958e+00 -4.478063771e+00 -4.874200779e+00 3.62 -3.344079463e+00 -4.405134092e+00 -4.810679358e+00 3.64 -3.272870150e+00 -4.332870113e+00 -4.746790528e+00 3.66 -3.202324478e+00 -4.261404658e+00 -4.682519044e+00 3.68 -3.132448853e+00 -4.190778655e+00 -4.617876198e+00 3.70 -3.063239564e+00 -4.120943256e+00 -4.552893651e+00 3.72 -2.994688610e+00 -4.051830746e+00 -4.487618392e+00 3.74 -2.926788435e+00 -3.983389748e+00 -4.422101309e+00 3.76 -2.859535566e+00 -3.915580370e+00 -4.356383234e+00 3.78 -2.792933198e+00 -3.848370955e+00 -4.290495297e+00 3.80 -2.726992774e+00 -3.781738591e+00 -4.224462056e+00 3.82 -2.661734699e+00 -3.715672195e+00 -4.158304636e+00 3.84 -2.597188987e+00 -3.650160053e+00 -4.092045224e+00 3.86 -2.533395439e+00 -3.585172647e+00 -4.025711900e+00 3.88 -2.470402545e+00 -3.520662179e+00 -3.959341919e+00 3.90 -2.408265661e+00 -3.456567204e+00 -3.892984285e+00 3.92 -2.347044614e+00 -3.392821336e+00 -3.826701674e+00 3.94 -2.286800849e+00 -3.329366559e+00 -3.760571649e+00 3.96 -2.227594263e+00 -3.266171725e+00 -3.694687147e+00 3.98 -2.169479842e+00 -3.203256452e+00 -3.629155967e+00 4.00 -2.112504278e+00 -3.140696264e+00 -3.564096876e+00 4.02 -2.056702725e+00 -3.078576269e+00 -3.499633617e+00 4.04 -2.002095868e+00 -3.016968503e+00 -3.435882862e+00 4.06 -1.948687529e+00 -2.955926896e+00 -3.372944272e+00 4.08 -1.896463073e+00 -2.895488744e+00 -3.310899217e+00 4.10 -1.845390159e+00 -2.835676741e+00 -3.249809619e+00 4.12 -1.795421613e+00 -2.776500964e+00 -3.189716158e+00 4.14 -1.746498395e+00 -2.717960811e+00 -3.130636005e+00 4.16 -1.698553781e+00 -2.660046870e+00 -3.072560224e+00 4.18 -1.651519138e+00 -2.602742715e+00 -3.015451044e+00 4.20 -1.605331475e+00 -2.546026622e+00 -2.959239186e+00 4.22 -1.559942991e+00 -2.489873185e+00 -2.903821466e+00 4.24 -1.515328739e+00 -2.434254835e+00 -2.849058901e+00 4.26 -1.471472710e+00 -2.379143241e+00 -2.794776559e+00 4.28 -1.428355599e+00 -2.324510596e+00 -2.740779692e+00 4.30 -1.385954395e+00 -2.270330769e+00 -2.686877223e+00 4.32 -1.344242725e+00 -2.216580328e+00 -2.632888796e+00 4.34 -1.303191367e+00 -2.163239411e+00 -2.578651277e+00 4.36 -1.262768896e+00 -2.110292450e+00 -2.524027794e+00 4.38 -1.222942491e+00 -2.057728739e+00 -2.468919646e+00 4.40 -1.183678960e+00 -2.005542834e+00 -2.413281017e+00 4.42 -1.144945889e+00 -1.953734786e+00 -2.357118485e+00 4.44 -1.106712979e+00 -1.902310204e+00 -2.300458632e+00 4.46 -1.068953805e+00 -1.851280129e+00 -2.243337276e+00 4.48 -1.031647370e+00 -1.800660739e+00 -2.185798107e+00 4.50 -9.947803053e-01 -1.750472858e+00 -2.127891459e+00 4.52 -9.583492908e-01 -1.700741280e+00 -2.069673174e+00 4.54 -9.223637288e-01 -1.651493908e+00 -2.011203534e+00 4.56 -8.868488603e-01 -1.602760702e+00 -1.952546281e+00 4.58 -8.518482858e-01 -1.554572432e+00 -1.893767725e+00 4.60 -8.174202018e-01 -1.506959258e+00 -1.834935916e+00 4.62 -7.836017065e-01 -1.459949117e+00 -1.776119922e+00 4.64 -7.503762393e-01 -1.413565937e+00 -1.717389169e+00 4.66 -7.188462121e-01 -1.367827684e+00 -1.658812870e+00 4.68 -6.888702930e-01 -1.322744430e+00 -1.600459535e+00 4.70 -6.582193090e-01 -1.278317060e+00 -1.542396554e+00 4.72 -6.263117527e-01 -1.234535657e+00 -1.484689859e+00 4.74 -5.941164249e-01 -1.191377340e+00 -1.427403656e+00 4.76 -5.635298613e-01 -1.148803935e+00 -1.370600230e+00 4.78 -5.354573790e-01 -1.106760302e+00 -1.314339819e+00 4.80 -5.101248132e-01 -1.065186946e+00 -1.258680541e+00 4.82 -4.874296557e-01 -1.024040101e+00 -1.203678397e+00 4.84 -4.671269462e-01 -9.832948072e-01 -1.149387321e+00 4.86 -4.489222644e-01 -9.429458982e-01 -1.095859272e+00 4.88 -4.325164173e-01 -9.030067581e-01 -1.043144390e+00 4.90 -4.175878064e-01 -8.635019815e-01 -9.912911828e-01 4.92 -4.038311765e-01 -8.244641841e-01 -9.403467310e-01 4.94 -3.908916572e-01 -7.859324697e-01 -8.903569747e-01 4.96 -3.785035419e-01 -7.479517862e-01 -8.413669404e-01 4.98 -3.663465231e-01 -7.105715999e-01 -7.934210249e-01 5.00 -3.538988860e-01 -6.738448484e-01 -7.465633333e-01 5.02 -3.419652120e-01 -6.378277841e-01 -7.008381395e-01 5.04 -3.312088940e-01 -6.025789266e-01 -6.562894659e-01 5.06 -3.221303060e-01 -5.681545903e-01 -6.129626155e-01 5.08 -3.126203700e-01 -5.346161471e-01 -5.709032340e-01 5.10 -3.009644971e-01 -5.020150639e-01 -5.301583419e-01 5.12 -2.864899576e-01 -4.703039492e-01 -4.907747880e-01 5.14 -2.691839507e-01 -4.396272676e-01 -4.527968037e-01 5.16 -2.496516004e-01 -4.102118650e-01 -4.162772286e-01 5.18 -2.296496052e-01 -3.829209480e-01 -3.810440983e-01 5.20 -2.104449537e-01 -3.579831980e-01 -3.477852470e-01 5.22 -1.927628078e-01 -3.343843295e-01 -3.163812527e-01 5.24 -1.769595294e-01 -3.084431297e-01 -2.880544676e-01 5.26 -1.631498968e-01 -2.776682493e-01 -2.631361571e-01 5.28 -1.512983169e-01 -2.430618825e-01 -2.346443391e-01 5.30 -1.412822878e-01 -2.083048788e-01 -1.999018418e-01 5.32 -1.329349582e-01 -1.770331781e-01 -1.613390578e-01 5.34 -1.260723550e-01 -1.509612617e-01 -1.252148543e-01 5.36 -1.205097306e-01 -1.304297157e-01 -9.526621629e-02 5.38 -1.160704983e-01 -1.150792333e-01 -7.248562925e-02 5.40 -1.125903901e-01 -1.042488815e-01 -5.651765275e-02 5.42 -1.099187684e-01 -9.719417989e-02 -4.644972235e-02 5.44 -1.079184548e-01 -9.319363554e-02 -4.122274011e-02 5.46 -1.064649844e-01 -9.159105148e-02 -3.981767248e-02 5.48 -1.054458482e-01 -9.180459286e-02 -4.132122120e-02 5.50 -1.047600295e-01 -9.332156725e-02 -4.493430274e-02 5.52 -1.043179632e-01 -9.569070317e-02 -4.996144488e-02 5.54 -1.040419318e-01 -9.852838798e-02 -5.581642173e-02 5.56 -1.038668434e-01 -1.015287563e-01 -6.203362219e-02 5.58 -1.037413073e-01 -1.044647905e-01 -6.826729920e-02 5.60 -1.036289172e-01 -1.071904567e-01 -7.429365414e-02 5.62 -1.035088599e-01 -1.096407494e-01 -8.001052764e-02 5.64 -1.033684197e-01 -1.117975705e-01 -8.538610966e-02 5.66 -1.031948586e-01 -1.136530286e-01 -9.040382245e-02 5.68 -1.029749584e-01 -1.152053718e-01 -9.505615311e-02 5.70 -1.026953314e-01 -1.164582795e-01 -9.934352215e-02 5.72 -1.023427151e-01 -1.174201799e-01 -1.032731931e-01 5.74 -1.019042443e-01 -1.181035875e-01 -1.068582168e-01 5.76 -1.013676976e-01 -1.185244567e-01 -1.101164029e-01 5.78 -1.007217147e-01 -1.187015420e-01 -1.130693129e-01 5.80 -9.995597904e-02 -1.186557636e-01 -1.157412676e-01 5.82 -9.906136465e-02 -1.184095695e-01 -1.181583624e-01 5.84 -9.803004289e-02 -1.179862907e-01 -1.203474829e-01 5.86 -9.685554637e-02 -1.174094839e-01 -1.223353165e-01 5.88 -9.553278781e-02 -1.167022573e-01 -1.241473498e-01 5.90 -9.405803152e-02 -1.158865728e-01 -1.258068488e-01 5.92 -9.242881553e-02 -1.149825233e-01 -1.273338122e-01 5.94 -9.064382264e-02 -1.140075773e-01 -1.287438932e-01 5.96 -8.870269919e-02 -1.129757883e-01 -1.300472821e-01 5.98 -8.660582020e-02 -1.118969644e-01 -1.312475424e-01 6.00 -8.435400022e-02 -1.107757941e-01 -1.323403961e-01