# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Co3Ni # 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 3.034259865e+04 nan nan 1.02 2.387925656e+04 nan nan 1.04 1.887581889e+04 nan nan 1.06 1.498386983e+04 nan nan 1.08 1.194250207e+04 nan nan 1.10 9.555274833e+03 2.428039768e+04 nan 1.12 7.673508956e+03 1.951978122e+04 2.604107968e+04 1.14 6.184106567e+03 1.574970992e+04 2.101685125e+04 1.16 5.000618650e+03 1.275217610e+04 1.702162716e+04 1.18 4.056656068e+03 1.035972740e+04 1.383242436e+04 1.20 3.301004957e+03 8.443160711e+03 1.127718613e+04 1.22 2.693984991e+03 6.902350323e+03 9.222569678e+03 1.24 2.204723417e+03 5.659375995e+03 7.564798621e+03 1.26 1.809101968e+03 4.653351354e+03 6.222778211e+03 1.28 1.488205940e+03 3.836512296e+03 5.132887705e+03 1.30 1.227144515e+03 3.171244651e+03 4.245023543e+03 1.32 1.014152301e+03 2.627818875e+03 3.519581183e+03 1.34 8.399005177e+02 2.182653564e+03 2.925143623e+03 1.36 6.969665778e+02 1.816978395e+03 2.436701588e+03 1.38 5.794251021e+02 1.515802934e+03 2.034280490e+03 1.40 4.825302896e+02 1.267116972e+03 1.701875035e+03 1.42 4.024696854e+02 1.061267212e+03 1.426619640e+03 1.44 3.361719121e+02 8.904708826e+02 1.198141239e+03 1.46 2.811549835e+02 7.484352921e+02 1.008052008e+03 1.48 2.354073649e+02 6.300581434e+02 8.495495553e+02 1.50 1.972945942e+02 5.311911492e+02 7.171019654e+02 1.52 1.654848945e+02 4.484521242e+02 6.061985121e+02 1.54 1.388901164e+02 3.790763049e+02 5.131513146e+02 1.56 1.166191559e+02 3.207978019e+02 4.349369859e+02 1.58 9.794076634e+01 2.717548922e+02 3.690712109e+02 1.60 8.225348490e+01 2.304146220e+02 3.135076234e+02 1.62 6.906117600e+01 1.955115874e+02 2.665567537e+02 1.64 5.795358915e+01 1.659983736e+02 2.268201961e+02 1.66 4.859100651e+01 1.410063778e+02 1.931381952e+02 1.68 4.069160264e+01 1.198138361e+02 1.645469292e+02 1.70 3.402110431e+01 1.018197820e+02 1.402437246e+02 1.72 2.838416137e+01 8.652293137e+01 1.195588466e+02 1.74 2.361762866e+01 7.350442673e+01 1.019320658e+02 1.76 1.958514483e+01 6.241351057e+01 8.689400798e+01 1.78 1.617256897e+01 5.295572312e+01 7.405079227e+01 1.80 1.328425234e+01 4.488355204e+01 6.307134439e+01 1.82 1.083988808e+01 3.798868641e+01 5.367697298e+01 1.84 8.771752537e+00 3.209541610e+01 4.563276436e+01 1.86 7.022667739e+00 2.705535125e+01 3.874006607e+01 1.88 5.544358262e+00 2.274306059e+01 3.283042392e+01 1.90 4.296059254e+00 1.905240196e+01 2.776104889e+01 1.92 3.243347294e+00 1.589346824e+01 2.341075613e+01 1.94 2.357099710e+00 1.318986171e+01 1.967642281e+01 1.96 1.612675046e+00 1.087642129e+01 1.647020817e+01 1.98 9.891396361e-01 8.897411514e+00 1.371734576e+01 2.00 4.686061428e-01 7.205262150e+00 1.135410674e+01 2.02 3.576555785e-02 5.759368813e+00 9.325966899e+00 2.04 -3.224587846e-01 4.525046571e+00 7.586184149e+00 2.06 -6.172233023e-01 3.472544187e+00 6.094721278e+00 2.08 -8.580453367e-01 2.576374464e+00 4.817265942e+00 2.10 -1.053039975e+00 1.814687095e+00 3.724392058e+00 2.12 -1.209118821e+00 1.168717411e+00 2.790748830e+00 2.14 -1.332156882e+00 6.223440979e-01 1.994486043e+00 2.16 -1.427152080e+00 1.617158211e-01 1.316806730e+00 2.18 -1.498428714e+00 -2.250645026e-01 7.415370021e-01 2.20 -1.549712226e+00 -5.482068553e-01 2.547649190e-01 2.22 -1.584200366e+00 -8.164993200e-01 -1.555097724e-01 2.24 -1.604645757e+00 -1.037633484e+00 -4.997866000e-01 2.26 -1.613403999e+00 -1.218275169e+00 -7.871888874e-01 2.28 -1.612466519e+00 -1.364172340e+00 -1.025616412e+00 2.30 -1.603511722e+00 -1.480282124e+00 -1.221909205e+00 2.32 -1.587952196e+00 -1.570873216e+00 -1.381982485e+00 2.34 -1.566960322e+00 -1.639613537e+00 -1.510922183e+00 2.36 -1.541527380e+00 -1.689698099e+00 -1.613124979e+00 2.38 -1.512512007e+00 -1.723958773e+00 -1.692410291e+00 2.40 -1.480626446e+00 -1.744854298e+00 -1.752078294e+00 2.42 -1.446450355e+00 -1.754510859e+00 -1.794971702e+00 2.44 -1.410475701e+00 -1.754762539e+00 -1.823529944e+00 2.46 -1.373127002e+00 -1.747185844e+00 -1.839835371e+00 2.48 -1.334786271e+00 -1.733129109e+00 -1.845652600e+00 2.50 -1.295817804e+00 -1.713737543e+00 -1.842462757e+00 2.52 -1.256536448e+00 -1.689974487e+00 -1.831571194e+00 2.54 -1.217211958e+00 -1.662639446e+00 -1.814220202e+00 2.56 -1.178074849e+00 -1.632383445e+00 -1.791502976e+00 2.58 -1.139321310e+00 -1.599752831e+00 -1.764369632e+00 2.60 -1.101114677e+00 -1.565245549e+00 -1.733639282e+00 2.62 -1.063587074e+00 -1.529268116e+00 -1.700011384e+00 2.64 -1.026847686e+00 -1.492153877e+00 -1.664089416e+00 2.66 -9.909857297e-01 -1.454231683e+00 -1.626393148e+00 2.68 -9.560723389e-01 -1.415801760e+00 -1.587368012e+00 2.70 -9.221620639e-01 -1.377119212e+00 -1.547393224e+00 2.72 -8.892940553e-01 -1.338385622e+00 -1.506799174e+00 2.74 -8.574929637e-01 -1.299757898e+00 -1.465884485e+00 2.76 -8.267694835e-01 -1.261367389e+00 -1.424906665e+00 2.78 -7.971154541e-01 -1.223323746e+00 -1.384084763e+00 2.80 -7.685029430e-01 -1.185717714e+00 -1.343603161e+00 2.82 -7.408926828e-01 -1.148623473e+00 -1.303614794e+00 2.84 -7.142416738e-01 -1.112100610e+00 -1.264243833e+00 2.86 -6.885100424e-01 -1.076195748e+00 -1.225587938e+00 2.88 -6.636495856e-01 -1.040948361e+00 -1.187720104e+00 2.90 -6.396063430e-01 -1.006401727e+00 -1.150690168e+00 2.92 -6.163460080e-01 -9.725950775e-01 -1.114526019e+00 2.94 -5.938393349e-01 -9.395622864e-01 -1.079234543e+00 2.96 -5.720559074e-01 -9.073325878e-01 -1.044803198e+00 2.98 -5.509716030e-01 -8.759311360e-01 -1.011230878e+00 3.00 -5.305711993e-01 -8.453794401e-01 -9.785340217e-01 3.02 -5.108401751e-01 -8.156956839e-01 -9.467131484e-01 3.04 -4.917651550e-01 -7.868949487e-01 -9.157646688e-01 3.06 -4.733338620e-01 -7.589893482e-01 -8.856825458e-01 3.08 -4.555349440e-01 -7.319880882e-01 -8.564586453e-01 3.10 -4.383577787e-01 -7.058974601e-01 -8.280829946e-01 3.12 -4.217922597e-01 -6.807207759e-01 -8.005439594e-01 3.14 -4.058285651e-01 -6.564582525e-01 -7.738283495e-01 3.16 -3.904569120e-01 -6.331068007e-01 -7.479214615e-01 3.18 -3.756672994e-01 -6.106565058e-01 -7.228070670e-01 3.20 -3.614492386e-01 -5.890889460e-01 -6.984673515e-01 3.22 -3.477914764e-01 -5.683825323e-01 -6.748828111e-01 3.24 -3.346817085e-01 -5.485127022e-01 -6.520321124e-01 3.26 -3.221062872e-01 -5.294515441e-01 -6.298919182e-01 3.28 -3.100499230e-01 -5.111674015e-01 -6.084366855e-01 3.30 -2.984953808e-01 -4.936244587e-01 -5.876384376e-01 3.32 -2.874253029e-01 -4.767851520e-01 -5.674707762e-01 3.34 -2.768289125e-01 -4.606190787e-01 -5.479226400e-01 3.36 -2.666964359e-01 -4.450955243e-01 -5.289874934e-01 3.38 -2.570169042e-01 -4.301804870e-01 -5.106592610e-01 3.40 -2.477779329e-01 -4.158363346e-01 -4.929322106e-01 3.42 -2.389654997e-01 -4.020214521e-01 -4.758008250e-01 3.44 -2.305637210e-01 -3.886898838e-01 -4.592596633e-01 3.46 -2.225546274e-01 -3.757931207e-01 -4.433032130e-01 3.48 -2.149179374e-01 -3.633041210e-01 -4.279257353e-01 3.50 -2.076308315e-01 -3.512120169e-01 -4.131211030e-01 3.52 -2.006677246e-01 -3.395069743e-01 -3.988826321e-01 3.54 -1.940008103e-01 -3.281798576e-01 -3.852029094e-01 3.56 -1.876107609e-01 -3.172221630e-01 -3.720736145e-01 3.58 -1.814855218e-01 -3.066259504e-01 -3.594853386e-01 3.60 -1.756125568e-01 -2.963837720e-01 -3.474273998e-01 3.62 -1.699785615e-01 -2.864886003e-01 -3.358876554e-01 3.64 -1.645693770e-01 -2.769337531e-01 -3.248523117e-01 3.66 -1.593699039e-01 -2.677128187e-01 -3.143053260e-01 3.68 -1.543653408e-01 -2.588195786e-01 -3.042266678e-01 3.70 -1.495463262e-01 -2.502479299e-01 -2.945937596e-01 3.72 -1.449052284e-01 -2.419918076e-01 -2.853819619e-01 3.74 -1.404344363e-01 -2.340451045e-01 -2.765643602e-01 3.76 -1.361263325e-01 -2.264015929e-01 -2.681115507e-01 3.78 -1.319732681e-01 -2.190548440e-01 -2.599914251e-01 3.80 -1.279675364e-01 -2.119981479e-01 -2.521689550e-01 3.82 -1.241013960e-01 -2.052244333e-01 -2.446065538e-01 3.84 -1.203682906e-01 -1.987261872e-01 -2.372788905e-01 3.86 -1.167631183e-01 -1.924953741e-01 -2.301762186e-01 3.88 -1.132810427e-01 -1.865233554e-01 -2.232901067e-01 3.90 -1.099174222e-01 -1.808008093e-01 -2.166126519e-01 3.92 -1.066678016e-01 -1.753176495e-01 -2.101364548e-01 3.94 -1.035279049e-01 -1.700629456e-01 -2.038545944e-01 3.96 -1.004936274e-01 -1.650248423e-01 -1.977606035e-01 3.98 -9.756102963e-02 -1.601904797e-01 -1.918484433e-01 4.00 -9.472632952e-02 -1.555459128e-01 -1.861124785e-01 4.02 -9.198589662e-02 -1.510760318e-01 -1.805474528e-01 4.04 -8.933624552e-02 -1.467644829e-01 -1.751484635e-01 4.06 -8.677402993e-02 -1.425953618e-01 -1.699109370e-01 4.08 -8.429603689e-02 -1.385609492e-01 -1.648306042e-01 4.10 -8.189918126e-02 -1.346564577e-01 -1.599034761e-01 4.12 -7.958050035e-02 -1.308772809e-01 -1.551258191e-01 4.14 -7.733714889e-02 -1.272189855e-01 -1.504941314e-01 4.16 -7.516639409e-02 -1.236773046e-01 -1.460051182e-01 4.18 -7.306561102e-02 -1.202481317e-01 -1.416556685e-01 4.20 -7.103227806e-02 -1.169275143e-01 -1.374428312e-01 4.22 -6.906382712e-02 -1.137116486e-01 -1.333637913e-01 4.24 -6.715657672e-02 -1.105968731e-01 -1.294158471e-01 4.26 -6.530647507e-02 -1.075796639e-01 -1.255963864e-01 4.28 -6.350976307e-02 -1.046566287e-01 -1.219028641e-01 4.30 -6.176296867e-02 -1.018245024e-01 -1.183327790e-01 4.32 -6.006289597e-02 -9.908014159e-02 -1.148836513e-01 4.34 -5.840661438e-02 -9.642052036e-02 -1.115530000e-01 4.36 -5.679144792e-02 -9.384272539e-02 -1.083383209e-01 4.38 -5.521496455e-02 -9.134395176e-02 -1.052370640e-01 4.40 -5.367496565e-02 -8.892149868e-02 -1.022466119e-01 4.42 -5.216947556e-02 -8.657276546e-02 -9.936425786e-02 4.44 -5.069673115e-02 -8.429524765e-02 -9.658718400e-02 4.46 -4.925517153e-02 -8.208653324e-02 -9.391243995e-02 4.48 -4.784342782e-02 -7.994401584e-02 -9.133692139e-02 4.50 -4.646031299e-02 -7.786409367e-02 -8.885734885e-02 4.52 -4.510481171e-02 -7.584311736e-02 -8.647024657e-02 4.54 -4.377607035e-02 -7.387768197e-02 -8.417192159e-02 4.56 -4.247338701e-02 -7.196461838e-02 -8.195844287e-02 4.58 -4.119620159e-02 -7.010098489e-02 -7.982562060e-02 4.60 -3.994408592e-02 -6.828405873e-02 -7.776898562e-02 4.62 -3.871665039e-02 -6.651132781e-02 -7.578376893e-02 4.64 -3.751273849e-02 -6.478048241e-02 -7.386488134e-02 4.66 -3.633086059e-02 -6.308940703e-02 -7.200689323e-02 4.68 -3.516975866e-02 -6.143617231e-02 -7.020422180e-02 4.70 -3.402840037e-02 -5.981902694e-02 -6.845350891e-02 4.72 -3.290596482e-02 -5.823638970e-02 -6.675304756e-02 4.74 -3.180182830e-02 -5.668684159e-02 -6.510121969e-02 4.76 -3.071555006e-02 -5.516911790e-02 -6.349646433e-02 4.78 -2.964685806e-02 -5.368210051e-02 -6.193727544e-02 4.80 -2.859563479e-02 -5.222481006e-02 -6.042219984e-02 4.82 -2.756190306e-02 -5.079639834e-02 -5.894983524e-02 4.84 -2.654581178e-02 -4.939614060e-02 -5.751882831e-02 4.86 -2.554762181e-02 -4.802342803e-02 -5.612787284e-02 4.88 -2.456769177e-02 -4.667776017e-02 -5.477570800e-02 4.90 -2.360646387e-02 -4.535873742e-02 -5.346111664e-02 4.92 -2.266444976e-02 -4.406605366e-02 -5.218292365e-02 4.94 -2.174221637e-02 -4.279948877e-02 -5.093999439e-02 4.96 -2.084037177e-02 -4.155890132e-02 -4.973123322e-02 4.98 -1.995955105e-02 -4.034422123e-02 -4.855558201e-02 5.00 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