# 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 = Co3Mg # 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 2.358018287e+02 nan nan 1.16 2.153771964e+02 nan nan 1.18 1.967255522e+02 nan nan 1.20 1.796850036e+02 nan nan 1.22 1.641089792e+02 nan nan 1.24 1.498651063e+02 nan nan 1.26 1.368338946e+02 nan nan 1.28 1.249069444e+02 2.013280488e+02 2.333667311e+02 1.30 1.139863505e+02 1.852042359e+02 2.151764181e+02 1.32 1.039845206e+02 1.703624490e+02 1.984049159e+02 1.34 9.482265903e+01 1.566947209e+02 1.829358683e+02 1.36 8.642863284e+01 1.441033919e+02 1.686635682e+02 1.38 7.873596127e+01 1.325003916e+02 1.554905591e+02 1.40 7.168405114e+01 1.218059080e+02 1.433268253e+02 1.42 6.521828879e+01 1.119468926e+02 1.320903976e+02 1.44 5.928922483e+01 1.028556244e+02 1.217074350e+02 1.46 5.385148997e+01 9.446904199e+01 1.121110713e+02 1.48 4.886536308e+01 8.672918796e+01 1.032400770e+02 1.50 4.429389137e+01 7.958384258e+01 9.503802977e+01 1.52 4.010220384e+01 7.298626051e+01 8.745293046e+01 1.54 3.625917970e+01 6.689417580e+01 8.043704014e+01 1.56 3.273680702e+01 6.126892532e+01 7.394664759e+01 1.58 2.950948826e+01 5.607496837e+01 6.794166147e+01 1.60 2.655346830e+01 5.127986720e+01 6.238522598e+01 1.62 2.384651462e+01 4.685558903e+01 5.724342796e+01 1.64 2.136790279e+01 4.277393366e+01 5.248498436e+01 1.66 1.909858696e+01 3.900813749e+01 4.808276738e+01 1.68 1.702131912e+01 3.553332965e+01 4.401070112e+01 1.70 1.512056103e+01 3.232670413e+01 4.024384528e+01 1.72 1.338222421e+01 2.936755268e+01 3.675955695e+01 1.74 1.179336747e+01 2.663702010e+01 3.353719695e+01 1.76 1.034196193e+01 2.411777573e+01 3.055780694e+01 1.78 9.016764986e+00 2.179383466e+01 2.780385951e+01 1.80 7.807271011e+00 1.965054034e+01 2.525910440e+01 1.82 6.703686374e+00 1.767455648e+01 2.290841488e+01 1.84 5.696934094e+00 1.585374939e+01 2.073758658e+01 1.86 4.778700298e+00 1.417698679e+01 1.873313509e+01 1.88 3.941496782e+00 1.263391772e+01 1.688221723e+01 1.90 3.178668211e+00 1.121478439e+01 1.517275007e+01 1.92 2.484312540e+00 9.910291431e+00 1.359364624e+01 1.94 1.853151296e+00 8.711561166e+00 1.213497467e+01 1.96 1.280399918e+00 7.610179101e+00 1.078791062e+01 1.98 7.616677799e-01 6.598295795e+00 9.544524808e+00 2.00 2.928871240e-01 5.668725827e+00 8.397549625e+00 2.02 -1.297382016e-01 4.814995880e+00 7.340219439e+00 2.04 -5.097712780e-01 4.031318492e+00 6.366205033e+00 2.06 -8.505712946e-01 3.312497811e+00 5.469609308e+00 2.08 -1.155319265e+00 2.653804712e+00 4.644979950e+00 2.10 -1.427038134e+00 2.050865621e+00 3.887299978e+00 2.12 -1.668604040e+00 1.499588548e+00 3.191945801e+00 2.14 -1.882743831e+00 9.961274261e-01 2.554618913e+00 2.16 -2.072019111e+00 5.368758413e-01 1.971266462e+00 2.18 -2.238924175e+00 1.184753494e-01 1.438007664e+00 2.20 -2.385629903e+00 -2.621743186e-01 9.510838998e-01 2.22 -2.513873888e+00 -6.079168373e-01 5.068559633e-01 2.24 -2.625242754e+00 -9.213542472e-01 1.018486626e-01 2.26 -2.721169105e+00 -1.204871569e+00 -2.671722326e-01 2.28 -2.802938277e+00 -1.460664663e+00 -6.031340535e-01 2.30 -2.871704577e+00 -1.690763971e+00 -9.086340767e-01 2.32 -2.928421629e+00 -1.897056445e+00 -1.185968060e+00 2.34 -2.973732619e+00 -2.081299649e+00 -1.437187320e+00 2.36 -3.008261583e+00 -2.245145860e+00 -1.664159381e+00 2.38 -3.032657930e+00 -2.390251819e+00 -1.868616909e+00 2.40 -3.047585600e+00 -2.517982836e+00 -2.052189621e+00 2.42 -3.053714639e+00 -2.629525114e+00 -2.216424999e+00 2.44 -3.051715279e+00 -2.726029350e+00 -2.362888295e+00 2.46 -3.042253779e+00 -2.808615228e+00 -2.493027795e+00 2.48 -3.025986327e+00 -2.878372761e+00 -2.608025422e+00 2.50 -3.003548633e+00 -2.936361466e+00 -2.709026947e+00 2.52 -2.975542913e+00 -2.983569433e+00 -2.797120544e+00 2.54 -2.942528099e+00 -3.020767648e+00 -2.873315449e+00 2.56 -2.905019905e+00 -3.048668345e+00 -2.938529257e+00 2.58 -2.863503404e+00 -3.068024328e+00 -2.993586573e+00 2.60 -2.818455120e+00 -3.079612694e+00 -3.039134320e+00 2.62 -2.770364629e+00 -3.084202469e+00 -3.075606900e+00 2.64 -2.719747172e+00 -3.082516052e+00 -3.103427291e+00 2.66 -2.667138328e+00 -3.075195055e+00 -3.123025550e+00 2.68 -2.613070975e+00 -3.062785603e+00 -3.134836994e+00 2.70 -2.558042481e+00 -3.045742833e+00 -3.139299389e+00 2.72 -2.502484947e+00 -3.024449406e+00 -3.136851652e+00 2.74 -2.446748768e+00 -2.999238139e+00 -3.127935104e+00 2.76 -2.391102039e+00 -2.970411215e+00 -3.112998181e+00 2.78 -2.335741051e+00 -2.938252699e+00 -3.092504559e+00 2.80 -2.280821210e+00 -2.903035344e+00 -3.066943292e+00 2.82 -2.226441703e+00 -2.865021741e+00 -3.036836997e+00 2.84 -2.172638956e+00 -2.824464637e+00 -3.002743808e+00 2.86 -2.119437027e+00 -2.781606018e+00 -2.965247876e+00 2.88 -2.066853774e+00 -2.736677032e+00 -2.924937020e+00 2.90 -2.014904967e+00 -2.689899338e+00 -2.882371124e+00 2.92 -1.963606399e+00 -2.641488240e+00 -2.838049746e+00 2.94 -1.912967082e+00 -2.591657599e+00 -2.792388675e+00 2.96 -1.862961338e+00 -2.540625942e+00 -2.745711288e+00 2.98 -1.813566626e+00 -2.488622453e+00 -2.698257094e+00 3.00 -1.764772986e+00 -2.435890828e+00 -2.650196414e+00 3.02 -1.716580423e+00 -2.382688682e+00 -2.601652972e+00 3.04 -1.668997105e+00 -2.329283909e+00 -2.552722272e+00 3.06 -1.622038057e+00 -2.275954918e+00 -2.503485791e+00 3.08 -1.575724091e+00 -2.222923428e+00 -2.454019972e+00 3.10 -1.530080731e+00 -2.170373210e+00 -2.404400871e+00 3.12 -1.485136985e+00 -2.118446740e+00 -2.354708675e+00 3.14 -1.440923903e+00 -2.067243013e+00 -2.305039463e+00 3.16 -1.397472982e+00 -2.016820340e+00 -2.255455707e+00 3.18 -1.354814532e+00 -1.967206254e+00 -2.206015404e+00 3.20 -1.312976167e+00 -1.918405479e+00 -2.156777166e+00 3.22 -1.271981591e+00 -1.870387716e+00 -2.107798244e+00 3.24 -1.231849799e+00 -1.823110460e+00 -2.059132574e+00 3.26 -1.192594758e+00 -1.776542105e+00 -2.010829930e+00 3.28 -1.154225546e+00 -1.730663455e+00 -1.962934578e+00 3.30 -1.116746862e+00 -1.685467171e+00 -1.915468010e+00 3.32 -1.080159783e+00 -1.640955902e+00 -1.868431999e+00 3.34 -1.044462618e+00 -1.597139657e+00 -1.821831960e+00 3.36 -1.009651752e+00 -1.554032977e+00 -1.775678063e+00 3.38 -9.757223874e-01 -1.511652381e+00 -1.729985762e+00 3.40 -9.426691055e-01 -1.470014331e+00 -1.684776753e+00 3.42 -9.104859712e-01 -1.429134079e+00 -1.640080089e+00 3.44 -8.791678606e-01 -1.389024639e+00 -1.595933117e+00 3.46 -8.487085836e-01 -1.349696662e+00 -1.552381720e+00 3.48 -8.191020048e-01 -1.311158278e+00 -1.509479417e+00 3.50 -7.903413344e-01 -1.273415106e+00 -1.467284713e+00 3.52 -7.624186856e-01 -1.236470257e+00 -1.425858433e+00 3.54 -7.353246074e-01 -1.200324342e+00 -1.385257180e+00 3.56 -7.090476794e-01 -1.164975470e+00 -1.345529827e+00 3.58 -6.835742363e-01 -1.130419269e+00 -1.306713280e+00 3.60 -6.588882571e-01 -1.096648974e+00 -1.268830268e+00 3.62 -6.349714057e-01 -1.063655591e+00 -1.231889052e+00 3.64 -6.118031684e-01 -1.031428162e+00 -1.195884827e+00 3.66 -5.893610286e-01 -9.999541508e-01 -1.160802240e+00 3.68 -5.676206305e-01 -9.692199048e-01 -1.126618370e+00 3.70 -5.465559238e-01 -9.392111990e-01 -1.093305637e+00 3.72 -5.261393086e-01 -9.099137967e-01 -1.060834349e+00 3.74 -5.063418204e-01 -8.813139838e-01 -1.029174747e+00 3.76 -4.871333886e-01 -8.533990201e-01 -9.982985406e-01 3.78 -4.684831919e-01 -8.261574554e-01 -9.681799809e-01 3.80 -4.503601249e-01 -7.995792726e-01 -9.387964902e-01 3.82 -4.327333836e-01 -7.736558329e-01 -9.101289083e-01 3.84 -4.155731858e-01 -7.483796230e-01 -8.821614045e-01 3.86 -3.988516411e-01 -7.237438249e-01 -8.548811297e-01 3.88 -3.825437848e-01 -6.997417533e-01 -8.282776940e-01 3.90 -3.666287604e-01 -6.763662271e-01 -8.023425580e-01 3.92 -3.510910087e-01 -6.536088632e-01 -7.770682722e-01 3.94 -3.359218905e-01 -6.314599436e-01 -7.524485035e-01 3.96 -3.211201347e-01 -6.099074390e-01 -7.284766122e-01 3.98 -3.066928288e-01 -5.889372832e-01 -7.051459399e-01 4.00 -2.926551528e-01 -5.685333054e-01 -6.824493611e-01 4.02 -2.790292802e-01 -5.486774758e-01 -6.603791074e-01 4.04 -2.658422528e-01 -5.293503225e-01 -6.389266729e-01 4.06 -2.531229538e-01 -5.105314897e-01 -6.180827820e-01 4.08 -2.408985287e-01 -4.922004178e-01 -5.978374033e-01 4.10 -2.291907813e-01 -4.743368620e-01 -5.781797938e-01 4.12 -2.180131276e-01 -4.569228769e-01 -5.590985624e-01 4.14 -2.073685959e-01 -4.399419976e-01 -5.405817429e-01 4.16 -1.972491414e-01 -4.233814440e-01 -5.226168695e-01 4.18 -1.876362750e-01 -4.072326987e-01 -5.051910517e-01 4.20 -1.785027753e-01 -3.914922563e-01 -4.882910449e-01 4.22 -1.698151132e-01 -3.761620757e-01 -4.719033160e-01 4.24 -1.615361935e-01 -3.612495926e-01 -4.560141036e-01 4.26 -1.536280755e-01 -3.467671701e-01 -4.406094722e-01 4.28 -1.460544332e-01 -3.327309353e-01 -4.256753613e-01 4.30 -1.387826114e-01 -3.191590476e-01 -4.111976284e-01 4.32 -1.317852061e-01 -3.060695655e-01 -3.971620859e-01 4.34 -1.250411365e-01 -2.934781765e-01 -3.835545283e-01 4.36 -1.185360559e-01 -2.813961077e-01 -3.703607487e-01 4.38 -1.122628898e-01 -2.698285095e-01 -3.575665389e-01 4.40 -1.062204180e-01 -2.587735152e-01 -3.451576703e-01 4.42 -1.004127948e-01 -2.482220443e-01 -3.331198503e-01 4.44 -9.484785690e-02 -2.381582848e-01 -3.214386534e-01 4.46 -8.953529141e-02 -2.285606842e-01 -3.100994278e-01 4.48 -8.448470624e-02 -2.194032365e-01 -2.990871833e-01 4.50 -7.970383661e-02 -2.106568542e-01 -2.883864706e-01 4.52 -7.519694934e-02 -2.022906579e-01 -2.779809587e-01 4.54 -7.096447928e-02 -1.942730780e-01 -2.678546322e-01 4.56 -6.700171802e-02 -1.865727195e-01 -2.579897023e-01 4.58 -6.329962647e-02 -1.791589900e-01 -2.483680328e-01 4.60 -5.984437853e-02 -1.720025229e-01 -2.389708184e-01 4.62 -5.661984498e-02 -1.650754431e-01 -2.297787119e-01 4.64 -5.360878938e-02 -1.583515307e-01 -2.207720273e-01 4.66 -5.079232521e-02 -1.518063327e-01 -2.119310240e-01 4.68 -4.815100402e-02 -1.454172689e-01 -2.032362796e-01 4.70 -4.566569113e-02 -1.391637676e-01 -1.946691561e-01 4.72 -4.331822568e-02 -1.330274585e-01 -1.862123677e-01 4.74 -4.109188990e-02 -1.269924381e-01 -1.778506483e-01 4.76 -3.897172385e-02 -1.210456099e-01 -1.695715133e-01 4.78 -3.694472266e-02 -1.151770900e-01 -1.613660914e-01 4.80 -3.499994711e-02 -1.093804512e-01 -1.532299862e-01 4.82 -3.312856905e-02 -1.036539909e-01 -1.451641024e-01 4.84 -3.132386335e-02 -9.799979618e-02 -1.371753497e-01 4.86 -2.958114781e-02 -9.242488812e-02 -1.292771161e-01 4.88 -2.789766664e-02 -8.694099146e-02 -1.214893978e-01 4.90 -2.627241075e-02 -8.156425560e-02 -1.138384794e-01 4.92 -2.470586928e-02 -7.631463683e-02 -1.063560927e-01 4.94 -2.319971395e-02 -7.121493154e-02 -9.907803981e-02 4.96 -2.175642659e-02 -6.628950392e-02 -9.204233836e-02 4.98 -2.037889146e-02 -6.156278748e-02 -8.528702947e-02 5.00 -1.906998260e-02 -5.705771267e-02 -7.884785437e-02 5.02 -1.783212206e-02 -5.279422863e-02 -7.275604419e-02 5.04 -1.666698691e-02 -4.878806030e-02 -6.703646749e-02 5.06 -1.557546149e-02 -4.504983266e-02 -6.170629712e-02 5.08 -1.455735767e-02 -4.158414449e-02 -5.677435508e-02 5.10 -1.361138987e-02 -3.839020810e-02 -5.224112162e-02 5.12 -1.273524666e-02 -3.546307583e-02 -4.809932988e-02 5.14 -1.192573201e-02 -3.279314081e-02 -4.433436022e-02 5.16 -1.117895026e-02 -3.036708538e-02 -4.092667030e-02 5.18 -1.049050906e-02 -2.816884179e-02 -3.785376042e-02 5.20 -9.855718809e-03 -2.618072654e-02 -3.509027036e-02 5.22 -9.269772925e-03 -2.438432988e-02 -3.260938908e-02 5.24 -8.727899412e-03 -2.276118241e-02 -3.038403063e-02 5.26 -8.225480029e-03 -2.129334564e-02 -2.838774794e-02 5.28 -7.758137488e-03 -1.996384161e-02 -2.659539333e-02 5.30 -7.321794071e-03 -1.875693827e-02 -2.498355401e-02 5.32 -6.912706560e-03 -1.765831354e-02 -2.353080057e-02 5.34 -6.527482897e-03 -1.665512308e-02 -2.221778884e-02 5.36 -6.163085761e-03 -1.573599507e-02 -2.102725314e-02 5.38 -5.816827623e-03 -1.489095947e-02 -1.994392393e-02 5.40 -5.486360913e-03 -1.411135215e-02 -1.895437443e-02 5.42 -5.169666036e-03 -1.338975145e-02 -1.804685760e-02 5.44 -4.865038979e-03 -1.271981070e-02 -1.721123328e-02 5.46 -4.571079398e-03 -1.209612253e-02 -1.643872509e-02 5.48 -4.286679291e-03 -1.151408608e-02 -1.572175321e-02 5.50 -4.011011666e-03 -1.096977952e-02 -1.505378189e-02 5.52 -3.743518127e-03 -1.045984171e-02 -1.442918018e-02 5.54 -3.483893910e-03 -9.981365798e-03 -1.384299142e-02 5.56 -3.232068846e-03 -9.531806790e-03 -1.329125959e-02 5.58 -2.988182827e-03 -9.108904246e-03 -1.277024864e-02 5.60 -2.752554857e-03 -8.710620136e-03 -1.227683367e-02 5.62 -2.525645421e-03 -8.335091146e-03 -1.180830295e-02 5.64 -2.308012913e-03 -7.980593852e-03 -1.136229506e-02 5.66 -2.100265758e-03 -7.645520678e-03 -1.093674504e-02 5.68 -1.903012847e-03 -7.328364300e-03 -1.052983855e-02 5.70 -1.716815451e-03 -7.027708176e-03 -1.013997285e-02 5.72 -1.542144011e-03 -6.742221105e-03 -9.765723786e-03 5.74 -1.379342896e-03 -6.470654104e-03 -9.405817795e-03 5.76 -1.228605466e-03 -6.211838310e-03 -9.059108401e-03 5.78 -1.089960692e-03 -5.964683058e-03 -8.724556427e-03 5.80 -9.632713631e-04 -5.728173626e-03 -8.401213500e-03 5.82 -8.482428098e-04 -5.501368461e-03 -8.088208372e-03 5.84 -7.444401315e-04 -5.283395886e-03 -7.784735738e-03 5.86 -6.513114437e-04 -5.073450432e-03 -7.490047238e-03 5.88 -5.682144907e-04 -4.870788998e-03 -7.203444450e-03 5.90 -4.944441642e-04 -4.674727089e-03 -6.924273681e-03 5.92 -4.292588825e-04 -4.484635349e-03 -6.651922450e-03 5.94 -3.719043382e-04 -4.299936602e-03 -6.385817550e-03 5.96 -3.216336776e-04 -4.120103574e-03 -6.125424635e-03 5.98 -2.777236867e-04 -3.944657416e-03 -5.870249255e-03 6.00 -2.394869728e-04 -3.773167121e-03 -5.619839284e-03