# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Mo # implementation = 2004--Zhou-X-W--Mo--LAMMPS--ipr2 # 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 2022-05-24 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 nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.399918827e+03 nan 0.78 nan nan nan nan nan nan nan nan 1.265797554e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.145869851e+03 nan 0.82 nan nan nan nan nan 8.959712732e+02 nan nan 1.038433408e+03 nan 0.84 nan nan nan nan nan 8.139178825e+02 nan nan 9.420613168e+02 nan 0.86 nan nan nan nan nan 7.400568517e+02 nan nan 8.555187863e+02 nan 0.88 nan nan nan nan nan 6.735187614e+02 nan nan 7.777073266e+02 nan 0.90 nan nan nan nan nan 6.135556655e+02 nan nan 7.076501449e+02 nan 0.92 nan nan nan nan nan 5.594904688e+02 nan nan 6.444881822e+02 nan 0.94 nan 8.561192417e+02 nan 1.366448769e+03 1.366514024e+03 5.106891097e+02 nan nan 5.874659000e+02 8.714929508e+02 0.96 nan 7.831107766e+02 nan 1.257169207e+03 1.257124527e+03 4.665612188e+02 8.068989546e+02 nan 5.359136703e+02 7.981497918e+02 0.98 nan 7.167493351e+02 nan 1.157562426e+03 1.157427418e+03 4.265770436e+02 7.391461067e+02 nan 4.892337572e+02 7.314626598e+02 1.00 nan 6.563425157e+02 nan 1.066638053e+03 1.066461650e+03 3.902771253e+02 6.774731195e+02 nan 4.468912094e+02 6.707825099e+02 1.02 nan 6.012904122e+02 nan 9.835120485e+02 9.833525826e+02 3.572677005e+02 6.212800869e+02 nan 4.084110024e+02 6.155477323e+02 1.04 nan 5.510634433e+02 nan 9.074012679e+02 9.073077252e+02 3.272124604e+02 5.700500377e+02 nan 3.733777558e+02 5.652487457e+02 1.06 8.375006235e+02 5.051949443e+02 7.422691292e+02 8.376156859e+02 8.376172623e+02 2.998263281e+02 5.233335075e+02 7.703751675e+02 3.414320257e+02 5.194081985e+02 1.08 7.733631560e+02 4.632813690e+02 6.842350372e+02 7.735475755e+02 7.736504593e+02 2.748671881e+02 4.807239835e+02 7.105741111e+02 3.122629103e+02 4.775781236e+02 1.10 7.144485929e+02 4.249734093e+02 6.309583485e+02 7.146611142e+02 7.148488420e+02 2.521233079e+02 4.418378340e+02 6.556761131e+02 2.856018998e+02 4.393446921e+02 1.12 6.602811246e+02 3.899583584e+02 5.820446776e+02 6.604855766e+02 6.607227443e+02 2.313994562e+02 4.063087387e+02 6.052465716e+02 2.612192330e+02 4.043319887e+02 1.14 6.104405157e+02 3.579459740e+02 5.371212087e+02 6.106099640e+02 6.108507301e+02 2.125073544e+02 3.737935964e+02 5.589003604e+02 2.389185218e+02 3.722031035e+02 1.16 5.645561612e+02 3.286640738e+02 4.958373034e+02 5.646746728e+02 5.648744168e+02 1.952644537e+02 3.439806995e+02 5.162926846e+02 2.185277185e+02 3.426606599e+02 1.18 5.222985883e+02 3.018596899e+02 4.578731705e+02 5.223598959e+02 5.224853331e+02 1.794990649e+02 3.165939810e+02 4.771103937e+02 1.998900312e+02 3.154482461e+02 1.20 4.833709743e+02 2.772995789e+02 4.229451326e+02 4.833746065e+02 4.834088646e+02 1.650557846e+02 2.913928396e+02 4.410652915e+02 1.828588784e+02 2.903507832e+02 1.22 4.475013660e+02 2.547686532e+02 3.908018180e+02 4.474493213e+02 4.473920246e+02 1.517975788e+02 2.681697027e+02 4.078887342e+02 1.672969926e+02 2.671907059e+02 1.24 4.144360995e+02 2.340686280e+02 3.612156145e+02 4.143324074e+02 4.141968634e+02 1.396056982e+02 2.467466275e+02 3.773273471e+02 1.530768240e+02 2.458202541e+02 1.26 3.839350140e+02 2.150188879e+02 3.339760803e+02 3.837876850e+02 3.835971292e+02 1.283793247e+02 2.269710050e+02 3.491414167e+02 1.400799827e+02 2.261127992e+02 1.28 3.557690032e+02 1.974593769e+02 3.088866070e+02 3.555923811e+02 3.553761865e+02 1.180343371e+02 2.087106082e+02 3.231072831e+02 1.281959036e+02 2.079553328e+02 1.30 3.297212102e+02 1.812536012e+02 2.857619311e+02 3.295368311e+02 3.293266576e+02 1.084999728e+02 1.918488430e+02 2.990227378e+02 1.173213089e+02 1.912430181e+02 1.32 3.055926243e+02 1.662892366e+02 2.644255872e+02 3.054271970e+02 3.052527974e+02 9.971397811e+01 1.762809674e+02 2.767120625e+02 1.073611736e+02 1.758761273e+02 1.34 2.832094051e+02 1.524747833e+02 2.447088856e+02 2.830897530e+02 2.829747490e+02 9.161812165e+01 1.619115742e+02 2.560271758e+02 9.823016088e+01 1.617587294e+02 1.36 2.624265530e+02 1.397330374e+02 2.264529948e+02 2.623733438e+02 2.623320307e+02 8.415561131e+01 1.486533630e+02 2.368437951e+02 8.985295321e+01 1.487977695e+02 1.38 2.431247406e+02 1.279940223e+02 2.095135531e+02 2.431478666e+02 2.431840258e+02 7.727089931e+01 1.364268967e+02 2.190546138e+02 8.216289057e+01 1.369018691e+02 1.40 2.252023234e+02 1.171898396e+02 1.937651964e+02 2.252996804e+02 2.254074263e+02 7.091121761e+01 1.251605269e+02 2.025627148e+02 7.509963399e+01 1.259805995e+02 1.42 2.085673150e+02 1.072522767e+02 1.791033309e+02 2.087266038e+02 2.088924309e+02 6.502843709e+01 1.147895505e+02 1.872772876e+02 6.860711803e+01 1.159454559e+02 1.44 1.931325512e+02 9.811260230e+01 1.654423133e+02 1.933345188e+02 1.935396554e+02 5.958000379e+01 1.052543003e+02 1.731117821e+02 6.263267834e+01 1.067125629e+02 1.46 1.788140936e+02 8.970258024e+01 1.527113032e+02 1.790358861e+02 1.792585851e+02 5.452867446e+01 9.649773981e+01 1.599835405e+02 5.712736282e+01 9.820553692e+01 1.48 1.655311741e+02 8.195602961e+01 1.408498764e+02 1.657493191e+02 1.659671512e+02 4.984165970e+01 8.846348906e+01 1.478139445e+02 5.204674614e+01 9.035668614e+01 1.50 1.532062610e+02 7.481061225e+01 1.298048518e+02 1.533992930e+02 1.535915149e+02 4.548993474e+01 8.109492219e+01 1.365285749e+02 4.735149883e+01 8.310609456e+01 1.52 1.417649702e+02 6.820960984e+01 1.195285847e+02 1.419156723e+02 1.420654736e+02 4.144801512e+01 7.433540645e+01 1.260573232e+02 4.300736714e+01 7.639967478e+01 1.54 1.311362769e+02 6.210334539e+01 1.099781177e+02 1.312333095e+02 1.313295359e+02 3.769397037e+01 6.812929124e+01 1.163346387e+02 3.898466281e+01 7.018769433e+01 1.56 1.212533928e+02 5.644987762e+01 1.011144342e+02 1.212920347e+02 1.213300246e+02 3.420926203e+01 6.242311136e+01 1.073000450e+02 3.525756885e+01 6.442455785e+01 1.58 1.120550795e+02 5.121477141e+01 9.290139215e+01 1.120369781e+02 1.120183788e+02 3.097816239e+01 5.716663595e+01 9.889876483e+01 3.180351381e+01 5.906954132e+01 1.60 1.034867136e+02 4.637002952e+01 8.530436184e+01 1.034188002e+02 1.033505191e+02 2.798681450e+01 5.231365652e+01 9.108205975e+01 2.860268020e+01 5.408755356e+01 1.62 9.550052809e+01 4.189248437e+01 7.828886602e+01 9.539344036e+01 9.528608676e+01 2.522219986e+01 4.782254127e+01 8.380701695e+01 2.563757088e+01 4.944916481e+01 1.64 8.805496085e+01 3.776201889e+01 7.181956562e+01 8.792136562e+01 8.778758062e+01 2.267130520e+01 4.365658246e+01 7.703585717e+01 2.289255322e+01 4.512977610e+01 1.66 8.111350115e+01 3.395994530e+01 6.585981207e+01 8.096661749e+01 8.081959939e+01 2.032066713e+01 3.978412474e+01 7.073508067e+01 2.035338312e+01 4.110832695e+01 1.68 7.464353063e+01 3.046777916e+01 6.037178891e+01 7.449600065e+01 7.434837584e+01 1.815630572e+01 3.617843644e+01 6.487473448e+01 1.800677051e+01 3.736605507e+01 1.70 6.861548409e+01 2.726653216e+01 5.531709390e+01 6.847858753e+01 6.834162425e+01 1.616853629e+01 3.281728118e+01 5.942787812e+01 1.584004340e+01 3.388562848e+01 1.72 6.300239842e+01 2.433652045e+01 5.065754365e+01 6.288551051e+01 6.276857562e+01 1.434885441e+01 2.968220114e+01 5.437014389e+01 1.384093354e+01 3.065071794e+01 1.74 5.777971542e+01 2.165756116e+01 4.635602168e+01 5.768989289e+01 5.760003724e+01 1.268295529e+01 2.675762580e+01 4.967924991e+01 1.199809491e+01 2.764589565e+01 1.76 5.292510371e+01 1.920935743e+01 4.237728404e+01 5.286674855e+01 5.280837000e+01 1.115701301e+01 2.402999978e+01 4.533440824e+01 1.030687119e+01 2.485667217e+01 1.78 4.841811162e+01 1.697188061e+01 3.868871243e+01 4.839275495e+01 4.836738174e+01 9.757916309e+00 2.148710680e+01 4.131568990e+01 8.757622317e+00 2.226950618e+01 1.80 4.423960969e+01 1.492564981e+01 3.526101926e+01 4.424591806e+01 4.425221467e+01 8.473565844e+00 1.911766632e+01 3.760346685e+01 7.339293918e+00 1.987170692e+01 1.82 4.037114481e+01 1.305192494e+01 3.206885006e+01 4.040523233e+01 4.043931148e+01 7.293245062e+00 1.691116249e+01 3.417802920e+01 6.041684307e+00 1.765124808e+01 1.84 3.679438868e+01 1.133289491e+01 2.909114171e+01 3.685043273e+01 3.690647083e+01 6.207955839e+00 1.485779546e+01 3.101941029e+01 4.855548977e+00 1.559656581e+01 1.86 3.349080242e+01 9.751922620e+00 2.631107060e+01 3.356185921e+01 3.363291174e+01 5.210566317e+00 1.294844970e+01 2.810739162e+01 3.772602463e+00 1.369640653e+01 1.88 3.044152254e+01 8.294088861e+00 2.371552415e+01 3.052038346e+01 3.059924132e+01 4.295674725e+00 1.117462461e+01 2.542164081e+01 2.785421574e+00 1.193974931e+01 1.90 2.762739575e+01 6.952410582e+00 2.129419819e+01 2.770733722e+01 2.778727647e+01 3.459211178e+00 9.528331118e+00 2.294195109e+01 1.887297423e+00 1.031578987e+01 1.92 2.502909310e+01 5.718709096e+00 1.903855377e+01 2.510443082e+01 2.517976693e+01 2.697904276e+00 8.005651519e+00 2.064857374e+01 1.072098813e+00 8.817535573e+00 1.94 2.262728786e+01 4.582036229e+00 1.694087866e+01 2.269371170e+01 2.276013440e+01 2.008766005e+00 6.603097440e+00 1.852263653e+01 3.341886666e-01 7.439482189e+00 1.96 2.040293217e+01 3.533069905e+00 1.499360794e+01 2.045764081e+01 2.051234862e+01 1.388701030e+00 5.313290523e+00 1.654661700e+01 -3.316057479e-01 6.171358643e+00 1.98 1.833767226e+01 2.564023455e+00 1.318893551e+01 1.837934191e+01 1.842101095e+01 8.342675337e-01 4.129269087e+00 1.470480376e+01 -9.300034875e-01 5.003383275e+00 2.00 1.641438752e+01 1.668401866e+00 1.151866067e+01 1.644300950e+01 1.647163103e+01 3.415575810e-01 3.044495233e+00 1.298365469e+01 -1.465306661e+00 3.926485731e+00 2.02 1.461776264e+01 8.407466960e-01 9.974184606e+00 1.463438342e+01 1.465100388e+01 -9.385297500e-02 2.052844910e+00 1.137196868e+01 -1.941490607e+00 2.932526644e+00 2.04 1.293474970e+01 7.639891246e-02 8.546588319e+00 1.294115069e+01 1.294755146e+01 -4.769170908e-01 1.148572171e+00 9.860827541e+00 -2.362343154e+00 2.014496052e+00 2.06 1.135479049e+01 -6.287038448e-01 7.228317006e+00 1.135315116e+01 1.135151166e+01 -8.130913897e-01 3.262509313e-01 8.443325262e+00 -2.731619316e+00 1.166631800e+00 2.08 9.869744853e+00 -1.278191265e+00 6.016232315e+00 9.862332749e+00 9.854920526e+00 -1.108247240e+00 -4.192912557e-01 7.117313986e+00 -3.053164273e+00 3.844210690e-01 2.10 8.473560530e+00 -1.875387035e+00 4.901503792e+00 8.462484320e+00 8.451408023e+00 -1.368491400e+00 -1.093028600e+00 5.882905543e+00 -3.330963976e+00 -3.355206212e-01 2.12 7.164609076e+00 -2.423401445e+00 3.875000985e+00 7.151481149e+00 7.138353134e+00 -1.599891575e+00 -1.699767553e+00 4.735799712e+00 -3.569107388e+00 -9.956664123e-01 2.14 5.943804701e+00 -2.925194122e+00 2.928188167e+00 5.929970407e+00 5.916136047e+00 -1.807993931e+00 -2.244148534e+00 3.672162573e+00 -3.771676100e+00 -1.597850067e+00 2.16 4.807601611e+00 -3.383611550e+00 2.053340230e+00 4.794067240e+00 4.780532820e+00 -1.997054766e+00 -2.730627812e+00 2.688413318e+00 -3.942603282e+00 -2.143549148e+00 2.18 3.752760894e+00 -3.801404810e+00 1.243688136e+00 3.740185348e+00 3.727609764e+00 -2.172185400e+00 -3.163455197e+00 1.781035680e+00 -4.085552929e+00 -2.634142437e+00 2.20 2.776162011e+00 -4.181232517e+00 4.934641001e-01 2.764913490e+00 2.753664939e+00 -2.337358685e+00 -3.546663611e+00 9.464611549e-01 -4.203857225e+00 -3.071114480e+00 2.22 1.874628769e+00 -4.525654533e+00 -2.021551338e-01 1.864854658e+00 1.855080525e+00 -2.495105293e+00 -3.884080455e+00 1.810101046e-01 -4.300273590e+00 -3.456193734e+00 2.24 1.044841921e+00 -4.837119931e+00 -8.471801667e-01 1.036537235e+00 1.028232532e+00 -2.646775719e+00 -4.179361378e+00 -5.191224681e-01 -4.376981622e+00 -3.791423124e+00 2.26 2.833156470e-01 -5.117952485e+00 -1.444977828e+00 2.763813433e-01 2.694470151e-01 -2.792860669e+00 -4.436038797e+00 -1.157847803e+00 -4.437648230e+00 -4.079175092e+00 2.28 -4.135862874e-01 -5.370335089e+00 -1.998440723e+00 -4.192986800e-01 -4.250110912e-01 -2.932870841e+00 -4.657571090e+00 -1.739142703e+00 -4.485702730e+00 -4.322131439e+00 2.30 -1.049616143e+00 -5.596295220e+00 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