# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Oh-S-H-Seol-D-Lee-B-J--Co-V # implementation = 2020--Oh-S-H--Co-V--LAMMPS--ipr1 # composition = Co3V # 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 2.017780145e+02 nan nan 0.90 1.886791929e+02 nan nan 0.92 1.763433522e+02 nan nan 0.94 1.647286882e+02 nan nan 0.96 1.537955932e+02 2.029481730e+02 nan 0.98 1.435065445e+02 1.908482729e+02 1.957791941e+02 1.00 1.338259986e+02 1.793925583e+02 1.845373328e+02 1.02 1.247202897e+02 1.685489413e+02 1.738719370e+02 1.04 1.161575347e+02 1.582868573e+02 1.637552338e+02 1.06 1.081075414e+02 1.485771959e+02 1.541607365e+02 1.08 1.005417222e+02 1.393922341e+02 1.450631870e+02 1.10 9.343301179e+01 1.307055735e+02 1.364385000e+02 1.12 8.675578859e+01 1.224920788e+02 1.282637103e+02 1.14 8.048580075e+01 1.147278206e+02 1.205169220e+02 1.16 7.460009532e+01 1.073900194e+02 1.131772601e+02 1.18 6.907695119e+01 1.004569928e+02 1.062248243e+02 1.20 6.389581530e+01 9.390810497e+01 9.964064484e+01 1.22 5.903724208e+01 8.772371796e+01 9.340664021e+01 1.24 5.448283593e+01 8.188514556e+01 8.750557682e+01 1.26 5.021519661e+01 7.637460911e+01 8.192103046e+01 1.28 4.621786733e+01 7.117519524e+01 7.663734939e+01 1.30 4.247528550e+01 6.627081549e+01 7.163961922e+01 1.32 3.897273597e+01 6.164616779e+01 6.691362919e+01 1.34 3.569630665e+01 5.728669962e+01 6.244584010e+01 1.36 3.263284632e+01 5.317857289e+01 5.822335358e+01 1.38 2.976992469e+01 4.930863034e+01 5.423388277e+01 1.40 2.709579438e+01 4.566436346e+01 5.046572430e+01 1.42 2.459935494e+01 4.223388193e+01 4.690773153e+01 1.44 2.227011865e+01 3.900588434e+01 4.354928896e+01 1.46 2.009817807e+01 3.596963036e+01 4.038028786e+01 1.48 1.807417530e+01 3.311491406e+01 3.739110290e+01 1.50 1.618927277e+01 3.043203856e+01 3.457256988e+01 1.52 1.443512554e+01 2.791179170e+01 3.191596447e+01 1.54 1.280385509e+01 2.554542301e+01 2.941298189e+01 1.56 1.128802438e+01 2.332462154e+01 2.705571748e+01 1.58 9.880614211e+00 2.124149487e+01 2.483664820e+01 1.60 8.575000882e+00 1.928854898e+01 2.274861490e+01 1.62 7.364934917e+00 1.745866908e+01 2.078480546e+01 1.64 6.244520955e+00 1.574510140e+01 1.893873862e+01 1.66 5.208198653e+00 1.414143570e+01 1.720424861e+01 1.68 4.250724596e+00 1.264158865e+01 1.557547042e+01 1.70 3.367155146e+00 1.123978802e+01 1.404682575e+01 1.72 2.552830182e+00 9.930557576e+00 1.261300963e+01 1.74 1.803357683e+00 8.708702632e+00 1.126897761e+01 1.76 1.114599122e+00 7.569296366e+00 1.000993353e+01 1.78 4.826556006e-01 6.507666719e+00 8.831317889e+00 1.80 -9.614528240e-02 5.519383926e+00 7.728796694e+00 1.82 -6.252618959e-01 4.600248637e+00 6.698250835e+00 1.84 -1.107950404e+00 3.746280594e+00 5.735765954e+00 1.86 -1.547275991e+00 2.953707844e+00 4.837622759e+00 1.88 -1.946123524e+00 2.218956461e+00 4.000287790e+00 1.90 -2.307207685e+00 1.538640754e+00 3.220404601e+00 1.92 -2.633082607e+00 9.095539540e-01 2.494785348e+00 1.94 -2.926151036e+00 3.286593256e-01 1.820402756e+00 1.96 -3.188673047e+00 -2.069182826e-01 1.194382455e+00 1.98 -3.422774317e+00 -6.999004890e-01 6.139956607e-01 2.00 -3.630453964e+00 -1.152863041e+00 7.665219543e-02 2.02 -3.813591938e+00 -1.568243102e+00 -4.201061772e-01 2.04 -3.973955933e+00 -1.948346200e+00 -8.786121144e-01 2.06 -4.113207812e+00 -2.295352826e+00 -1.301078764e+00 2.08 -4.232909492e+00 -2.611324724e+00 -1.689605553e+00 2.10 -4.334528277e+00 -2.898210874e+00 -2.046183705e+00 2.12 -4.419441602e+00 -3.157853192e+00 -2.372701495e+00 2.14 -4.488941171e+00 -3.391991953e+00 -2.670949255e+00 2.16 -4.544236504e+00 -3.602270956e+00 -2.942624124e+00 2.18 -4.586458058e+00 -3.790242432e+00 -3.189334560e+00 2.20 -4.616660242e+00 -3.957371710e+00 -3.412604616e+00 2.22 -4.635824814e+00 -4.105041650e+00 -3.613877990e+00 2.24 -4.644865022e+00 -4.234556857e+00 -3.794521847e+00 2.26 -4.644630510e+00 -4.347147694e+00 -3.955830443e+00 2.28 -4.635912604e+00 -4.443974082e+00 -4.099028569e+00 2.30 -4.619449363e+00 -4.526129128e+00 -4.225274868e+00 2.32 -4.595929896e+00 -4.594642566e+00 -4.335665065e+00 2.34 -4.565997768e+00 -4.650484025e+00 -4.431235138e+00 2.36 -4.530253633e+00 -4.694566142e+00 -4.512964412e+00 2.38 -4.489257404e+00 -4.727747514e+00 -4.581778549e+00 2.40 -4.443530229e+00 -4.750835502e+00 -4.638552372e+00 2.42 -4.393556452e+00 -4.764588904e+00 -4.684112502e+00 2.44 -4.339785590e+00 -4.769720478e+00 -4.719239822e+00 2.46 -4.282634291e+00 -4.766899366e+00 -4.744671763e+00 2.48 -4.222488227e+00 -4.756756448e+00 -4.761104465e+00 2.50 -4.159703914e+00 -4.739893443e+00 -4.769194838e+00 2.52 -4.094610426e+00 -4.716830425e+00 -4.769562528e+00 2.54 -4.027511022e+00 -4.688094105e+00 -4.762791800e+00 2.56 -3.958684673e+00 -4.654172458e+00 -4.749433346e+00 2.58 -3.888387514e+00 -4.615517045e+00 -4.730005999e+00 2.60 -3.816854209e+00 -4.572549596e+00 -4.704998377e+00 2.62 -3.744348659e+00 -4.525663610e+00 -4.674870441e+00 2.64 -3.672831438e+00 -4.475225882e+00 -4.640054985e+00 2.66 -3.604676008e+00 -4.421577956e+00 -4.600959042e+00 2.68 -3.530191420e+00 -4.365037504e+00 -4.557965237e+00 2.70 -3.455126229e+00 -4.305899655e+00 -4.511433059e+00 2.72 -3.379849546e+00 -4.244438255e+00 -4.461700408e+00 2.74 -3.304478558e+00 -4.180907077e+00 -4.409170817e+00 2.76 -3.229117564e+00 -4.115540983e+00 -4.354536532e+00 2.78 -3.153858829e+00 -4.048557042e+00 -4.297333924e+00 2.80 -3.078783412e+00 -3.980155607e+00 -4.237749402e+00 2.82 -3.003961958e+00 -3.910521363e+00 -4.176361945e+00 2.84 -2.929455467e+00 -3.839824337e+00 -4.113400073e+00 2.86 -2.855316043e+00 -3.768220899e+00 -4.049077381e+00 2.88 -2.781587632e+00 -3.695854729e+00 -3.983593357e+00 2.90 -2.708306750e+00 -3.622858116e+00 -3.917134151e+00 2.92 -2.635503203e+00 -3.549355138e+00 -3.849873306e+00 2.94 -2.563200817e+00 -3.475456180e+00 -3.781972453e+00 2.96 -2.491418179e+00 -3.401255425e+00 -3.713581975e+00 2.98 -2.420169384e+00 -3.326853591e+00 -3.644841627e+00 3.00 -2.349464818e+00 -3.252338349e+00 -3.575881139e+00 3.02 -2.279311960e+00 -3.177791402e+00 -3.506820772e+00 3.04 -2.209716220e+00 -3.103289452e+00 -3.437771857e+00 3.06 -2.140681822e+00 -3.028905160e+00 -3.368837302e+00 3.08 -2.072212716e+00 -2.954708087e+00 -3.300112072e+00 3.10 -2.004313539e+00 -2.880765588e+00 -3.231683645e+00 3.12 -1.936990607e+00 -2.807143651e+00 -3.163632442e+00 3.14 -1.870252935e+00 -2.733907638e+00 -3.096032235e+00 3.16 -1.804113261e+00 -2.661122908e+00 -3.028950537e+00 3.18 -1.738589059e+00 -2.588855284e+00 -2.962448960e+00 3.20 -1.673703514e+00 -2.517171324e+00 -2.896583568e+00 3.22 -1.609486395e+00 -2.446138386e+00 -2.831405197e+00 3.24 -1.545974818e+00 -2.375824423e+00 -2.766959763e+00 3.26 -1.483213808e+00 -2.306297518e+00 -2.703288555e+00 3.28 -1.421256635e+00 -2.237625090e+00 -2.640428504e+00 3.30 -1.360164853e+00 -2.169872770e+00 -2.578412443e+00 3.32 -1.300007992e+00 -2.103102909e+00 -2.517269347e+00 3.34 -1.240862855e+00 -2.037372743e+00 -2.457132279e+00 3.36 -1.182812367e+00 -1.972732269e+00 -2.400089641e+00 3.38 -1.125943923e+00 -1.909222013e+00 -2.350227007e+00 3.40 -1.070347192e+00 -1.846870923e+00 -2.298092566e+00 3.42 -1.016111321e+00 -1.785694744e+00 -2.241162452e+00 3.44 -9.633215434e-01 -1.725695217e+00 -2.185215105e+00 3.46 -9.120552558e-01 -1.666860391e+00 -2.130258778e+00 3.48 -8.623777448e-01 -1.609166139e+00 -2.076299446e+00 3.50 -8.143379104e-01 -1.552578807e+00 -2.023340961e+00 3.52 -7.679644686e-01 -1.497058641e+00 -1.971385192e+00 3.54 -7.232632039e-01 -1.442563578e+00 -1.920432162e+00 3.56 -6.802158027e-01 -1.389052877e+00 -1.870480187e+00 3.58 -6.387806184e-01 -1.336490210e+00 -1.821526003e+00 3.60 -5.988954184e-01 -1.284845910e+00 -1.773564900e+00 3.62 -5.604818253e-01 -1.234098316e+00 -1.726590858e+00 3.64 -5.234508640e-01 -1.184234257e+00 -1.680596674e+00 3.66 -4.877088666e-01 -1.135248860e+00 -1.635574097e+00 3.68 -4.531629835e-01 -1.087144898e+00 -1.591513971e+00 3.70 -4.197257043e-01 -1.039931882e+00 -1.548406362e+00 3.72 -3.873180363e-01 -9.936250563e-01 -1.506240706e+00 3.74 -3.558712678e-01 -9.482443800e-01 -1.465005943e+00 3.76 -3.253274742e-01 -9.038135292e-01 -1.424690661e+00 3.78 -2.956390861e-01 -8.603588857e-01 -1.385283238e+00 3.80 -2.667678926e-01 -8.179084706e-01 -1.346771979e+00 3.82 -2.386838316e-01 -7.764907697e-01 -1.309145255e+00 3.84 -2.113627461e-01 -7.361334150e-01 -1.272391625e+00 3.86 -1.776054846e-01 -6.968617177e-01 -1.236499936e+00 3.88 -1.341263384e-01 -6.586970878e-01 -1.201459381e+00 3.90 -5.594977965e-01 -6.216554258e-01 -1.167259515e+00 3.92 -5.040605692e-01 -5.857456206e-01 -1.133890186e+00 3.94 -4.858110684e-01 -5.509683190e-01 -1.101341414e+00 3.96 -4.681870253e-01 -5.173151428e-01 -1.069603197e+00 3.98 -4.511687623e-01 -4.847685042e-01 -1.038665282e+00 4.00 -4.347371438e-01 -4.533021055e-01 -1.008516927e+00 4.02 -4.188735580e-01 -4.228821269e-01 -9.791466960e-01 4.04 -4.035599041e-01 -3.934690023e-01 -9.505423122e-01 4.06 -3.887785816e-01 -3.650196089e-01 -9.226906031e-01 4.08 -3.745124809e-01 -3.374984401e-01 -8.955775316e-01 4.10 -3.607449726e-01 -3.115583124e-01 -8.691883126e-01 4.12 -3.474598983e-01 -2.893914835e-01 -8.435075894e-01 4.14 -3.346415606e-01 -2.674249718e-01 -8.185196410e-01 4.16 -3.222747130e-01 -2.424353280e-01 -7.942085927e-01 4.18 -3.103445505e-01 -2.202652745e-01 -7.705586042e-01 4.20 -2.988366991e-01 -1.991658746e-01 -7.475540182e-01 4.22 -2.878283501e-01 -1.791404575e-01 -7.251794635e-01 4.24 -2.793056842e-01 -1.601910293e-01 -7.034199117e-01 4.26 -2.773939690e-01 -1.423168008e-01 -6.822606969e-01 4.28 -2.702883863e-01 -1.255128461e-01 -6.616875076e-01 4.30 -2.468272398e-01 -1.097690016e-01 -6.416863624e-01 4.32 -2.407727096e-01 -9.506908066e-02 -6.222435808e-01 4.34 -2.348614861e-01 -8.139043839e-02 -6.033457543e-01 4.36 -2.290904818e-01 -6.870389330e-02 -5.849797229e-01 4.38 -2.234566579e-01 -5.697398486e-02 -5.671325590e-01 4.40 -2.179570249e-01 -4.615952803e-02 -5.497915566e-01 4.42 -2.125886426e-01 -3.621441294e-02 -5.329442261e-01 4.44 -2.073486202e-01 -2.708858929e-02 -5.165782922e-01 4.46 -2.022341166e-01 -1.872917131e-02 -5.006816933e-01 4.48 -1.972423405e-01 -1.108159860e-02 -4.852425828e-01 4.50 -1.923705498e-01 -4.090791340e-03 -4.702493296e-01 4.52 -1.876160522e-01 2.297755569e-03 -4.556905186e-01 4.54 -1.829762043e-01 8.136986139e-03 -4.415549521e-01 4.56 -1.784484119e-01 1.347744058e-02 -4.278316493e-01 4.58 -1.740301296e-01 1.836658053e-02 -4.145098465e-01 4.60 -1.697188603e-01 2.284829443e-02 -4.015789967e-01 4.62 -1.655121550e-01 2.696258376e-02 -3.890287687e-01 4.64 -1.614076125e-01 3.074542104e-02 -3.768490467e-01 4.66 -1.574028785e-01 3.422876199e-02 -3.650299282e-01 4.68 -1.534956459e-01 3.744068824e-02 -3.535617235e-01 4.70 -1.496836535e-01 4.040565326e-02 -3.424349535e-01 4.72 -1.456367495e-01 4.280980877e-02 -3.314330894e-01 4.74 -1.372238974e-01 4.041225108e-02 -3.177156329e-01 4.76 -1.137969921e-01 2.410422014e-02 -2.886240043e-01 4.78 -6.186064869e-02 -3.353945696e-03 -1.948835411e-01 4.80 -4.284306509e-23 -1.223128269e-22 -1.006017861e-22 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00