# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--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 2025-07-01 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 2.445827792e+02 nan nan 0.98 2.231013716e+02 nan nan 1.00 2.036830394e+02 nan nan 1.02 1.859101689e+02 nan nan 1.04 1.698470600e+02 nan nan 1.06 1.550772388e+02 nan nan 1.08 1.415733611e+02 2.126815138e+02 nan 1.10 1.293416464e+02 1.957569055e+02 2.226229428e+02 1.12 1.179845454e+02 1.799547335e+02 2.050294614e+02 1.14 1.077851748e+02 1.653701668e+02 1.891583307e+02 1.16 9.828316123e+01 1.521239356e+02 1.742326177e+02 1.18 8.967543590e+01 1.398662487e+02 1.605765342e+02 1.20 8.163510222e+01 1.289168874e+02 1.480750397e+02 1.22 7.446429490e+01 1.184993592e+02 1.367063092e+02 1.24 6.769073711e+01 1.088209000e+02 1.259710497e+02 1.26 6.167790076e+01 1.000544096e+02 1.161437760e+02 1.28 5.596922518e+01 9.192765785e+01 1.070196666e+02 1.30 5.088355364e+01 8.443440241e+01 9.849962323e+01 1.32 4.609272291e+01 7.740367709e+01 9.076270837e+01 1.34 4.165802194e+01 7.114631478e+01 8.344483583e+01 1.36 3.769179585e+01 6.513113088e+01 7.675472908e+01 1.38 3.402563743e+01 5.959745912e+01 7.065078396e+01 1.40 3.058066133e+01 5.446822646e+01 6.483569882e+01 1.42 2.749827993e+01 4.973097038e+01 5.953327827e+01 1.44 2.471076613e+01 4.557729747e+01 5.454486943e+01 1.46 2.204999912e+01 4.167365246e+01 5.015669598e+01 1.48 1.959001956e+01 3.789646861e+01 4.585589082e+01 1.50 1.733510245e+01 3.440739308e+01 4.196999210e+01 1.52 1.538971661e+01 3.126453824e+01 3.827318137e+01 1.54 1.352210908e+01 2.843432140e+01 3.500638294e+01 1.56 1.177282595e+01 2.565947459e+01 3.182060985e+01 1.58 1.019233964e+01 2.312419889e+01 2.891197171e+01 1.60 8.726116297e+00 2.075554556e+01 2.617754465e+01 1.62 7.521066642e+00 1.856896060e+01 2.364646273e+01 1.64 6.283155879e+00 1.655086631e+01 2.145930210e+01 1.66 5.153529703e+00 1.476589258e+01 1.927575702e+01 1.68 4.123617441e+00 1.311736889e+01 1.725585999e+01 1.70 3.185539197e+00 1.151905184e+01 1.538776803e+01 1.72 2.412193284e+00 1.004617887e+01 1.366054355e+01 1.74 1.689455938e+00 8.767091869e+00 1.206407804e+01 1.76 9.922829013e-01 7.510806978e+00 1.082411853e+01 1.78 3.412703830e-01 6.355093686e+00 9.439704307e+00 1.80 -2.475857829e-01 5.292612824e+00 8.162113192e+00 1.82 -7.515758443e-01 4.420203533e+00 7.066651031e+00 1.84 -1.233029530e+00 3.514934518e+00 5.972911748e+00 1.86 -1.625024947e+00 2.840004837e+00 4.965460415e+00 1.88 -1.953670336e+00 2.065751945e+00 4.038169426e+00 1.90 -2.287520897e+00 1.357365895e+00 3.268608251e+00 1.92 -2.606187480e+00 7.100338084e-01 2.477759532e+00 1.94 -2.889129186e+00 1.590109823e-01 1.751835519e+00 1.96 -3.139246981e+00 -3.826784510e-01 1.086230579e+00 1.98 -3.359219811e+00 -8.754676200e-01 4.766654039e-01 2.00 -3.551521961e+00 -1.322946544e+00 -1.447141613e-04 2.02 -3.718438990e+00 -1.728448112e+00 -5.159806364e-01 2.04 -3.862082331e+00 -2.095067326e+00 -9.863382802e-01 2.06 -3.926694278e+00 -2.425678977e+00 -1.414463313e+00 2.08 -4.013791498e+00 -2.722953917e+00 -1.803375658e+00 2.10 -4.090463222e+00 -2.919470629e+00 -2.073673611e+00 2.12 -4.155060254e+00 -3.124776376e+00 -2.359332042e+00 2.14 -4.215686221e+00 -3.344332158e+00 -2.655805495e+00 2.16 -4.262177476e+00 -3.538841240e+00 -2.922482064e+00 2.18 -4.295791413e+00 -3.710206950e+00 -3.161530810e+00 2.20 -4.317689352e+00 -3.860198843e+00 -3.374971889e+00 2.22 -4.328943712e+00 -3.990462229e+00 -3.564687014e+00 2.24 -4.290808196e+00 -4.023054061e+00 -3.712560911e+00 2.26 -4.286632875e+00 -4.124269029e+00 -3.861444770e+00 2.28 -4.274341432e+00 -4.209590267e+00 -3.991400331e+00 2.30 -4.254728384e+00 -4.280280344e+00 -4.103853580e+00 2.32 -4.190277710e+00 -4.337513161e+00 -4.200133238e+00 2.34 -4.097599153e+00 -4.382380116e+00 -4.281477410e+00 2.36 -4.067258007e+00 -4.415895830e+00 -4.349039768e+00 2.38 -4.031697619e+00 -4.439003453e+00 -4.403895283e+00 2.40 -3.991482234e+00 -4.452579591e+00 -4.291178760e+00 2.42 -3.947131579e+00 -4.457438888e+00 -4.334457855e+00 2.44 -3.899124123e+00 -4.370908671e+00 -4.367074354e+00 2.46 -3.847900102e+00 -4.366249029e+00 -4.389890696e+00 2.48 -3.793864319e+00 -4.354598010e+00 -4.403710165e+00 2.50 -3.737388746e+00 -4.336588244e+00 -4.409280832e+00 2.52 -3.678814932e+00 -4.234021145e+00 -4.407299236e+00 2.54 -3.618456240e+00 -4.210263995e+00 -4.398413809e+00 2.56 -3.556599922e+00 -4.181438006e+00 -4.383228065e+00 2.58 -3.493509041e+00 -4.148035493e+00 -4.335225896e+00 2.60 -3.429424261e+00 -4.110513122e+00 -4.310842571e+00 2.62 -3.364565504e+00 -4.069294324e+00 -4.281615084e+00 2.64 -3.299133484e+00 -4.024771532e+00 -4.248002420e+00 2.66 -3.233311142e+00 -3.977308283e+00 -4.210431202e+00 2.68 -3.167264968e+00 -3.927241168e+00 -4.169297820e+00 2.70 -3.081447490e+00 -3.874881655e+00 -4.124970426e+00 2.72 -3.016623656e+00 -3.820517792e+00 -4.077790793e+00 2.74 -2.951912064e+00 -3.744330914e+00 -4.028076055e+00 2.76 -2.846526136e+00 -3.687968069e+00 -3.976120329e+00 2.78 -2.784858900e+00 -3.630264588e+00 -3.922196236e+00 2.80 -2.723471320e+00 -3.571434244e+00 -3.866556316e+00 2.82 -2.642032264e+00 -3.511674061e+00 -3.726648878e+00 2.84 -2.582695033e+00 -3.451165455e+00 -3.673180470e+00 2.86 -2.523819908e+00 -3.390075298e+00 -3.618354949e+00 2.88 -2.465478950e+00 -3.328556916e+00 -3.562374093e+00 2.90 -2.407736480e+00 -3.266751018e+00 -3.505424434e+00 2.92 -2.350649676e+00 -3.204786563e+00 -3.447678257e+00 2.94 -2.294269127e+00 -3.142781575e+00 -3.389294547e+00 2.96 -2.238639351e+00 -3.080843894e+00 -3.330419867e+00 2.98 -2.183799267e+00 -3.019071892e+00 -3.271189180e+00 3.00 -2.129782647e+00 -2.957555128e+00 -3.211726624e+00 3.02 -2.076618524e+00 -2.896374972e+00 -3.152146232e+00 3.04 -2.024331578e+00 -2.835605175e+00 -3.092552612e+00 3.06 -1.972942492e+00 -2.775312415e+00 -3.033041574e+00 3.08 -1.922468284e+00 -2.715556798e+00 -2.973700732e+00 3.10 -1.872922610e+00 -2.656392326e+00 -2.914610050e+00 3.12 -1.824316056e+00 -2.597867344e+00 -2.855842371e+00 3.14 -1.776656397e+00 -2.540024941e+00 -2.797463897e+00 3.16 -1.709649381e+00 -2.455842997e+00 -2.698935724e+00 3.18 -1.664979133e+00 -2.400918846e+00 -2.643674613e+00 3.20 -1.621207114e+00 -2.346702082e+00 -2.588850897e+00 3.22 -1.578335176e+00 -2.293222425e+00 -2.534514570e+00 3.24 -1.536363267e+00 -2.240505813e+00 -2.480710682e+00 3.26 -1.495289604e+00 -2.188574685e+00 -2.427479678e+00 3.28 -1.455110833e+00 -2.137448244e+00 -2.374857723e+00 3.30 -1.415822185e+00 -2.005852504e+00 -2.322877004e+00 3.32 -1.377417612e+00 -1.960536166e+00 -2.271566007e+00 3.34 -1.339889918e+00 -1.915853496e+00 -2.220949789e+00 3.36 -1.303230875e+00 -1.871823763e+00 -2.171050223e+00 3.38 -1.227562000e+00 -1.828463546e+00 -2.121886226e+00 3.40 -1.194611077e+00 -1.785786933e+00 -2.073473982e+00 3.42 -1.162399131e+00 -1.743805714e+00 -2.025827140e+00 3.44 -1.130919800e+00 -1.702529549e+00 -1.978957010e+00 3.46 -1.100165919e+00 -1.661966137e+00 -1.932872734e+00 3.48 -1.070129616e+00 -1.622121367e+00 -1.887581457e+00 3.50 -1.019949236e+00 -1.582999463e+00 -1.843088479e+00 3.52 -9.923235198e-01 -1.544603114e+00 -1.799397406e+00 3.54 -9.653403215e-01 -1.506933604e+00 -1.756510280e+00 3.56 -9.389919249e-01 -1.469990925e+00 -1.714427707e+00 3.58 -9.132701348e-01 -1.433773889e+00 -1.673148981e+00 3.60 -8.881663346e-01 -1.398280225e+00 -1.632672185e+00 3.62 -8.636715392e-01 -1.363506679e+00 -1.592994306e+00 3.64 -8.325907756e-01 -1.329449099e+00 -1.471207064e+00 3.66 -8.096153926e-01 -1.296102519e+00 -1.436956059e+00 3.68 -7.872052674e-01 -1.263461235e+00 -1.403311849e+00 3.70 -7.653510821e-01 -1.231518876e+00 -1.370276041e+00 3.72 -7.440433315e-01 -1.200268472e+00 -1.337849198e+00 3.74 -7.232723569e-01 -1.169702515e+00 -1.306030916e+00 3.76 -7.030283777e-01 -1.139813018e+00 -1.274819910e+00 3.78 -6.833015197e-01 -1.110591564e+00 -1.244214081e+00 3.80 -6.640818416e-01 -1.082029360e+00 -1.214210587e+00 3.82 -6.453593591e-01 -1.054117284e+00 -1.184805910e+00 3.84 -6.271240671e-01 -1.026845924e+00 -1.155995912e+00 3.86 -6.093659596e-01 -9.586704569e-01 -1.127775895e+00 3.88 -5.920750481e-01 -9.344683605e-01 -1.100140651e+00 3.90 -5.752413784e-01 -9.107981979e-01 -1.073084511e+00 3.92 -5.588550456e-01 -8.876531971e-01 -1.046601394e+00 3.94 -5.429062080e-01 -8.650263223e-01 -1.020684844e+00 3.96 -5.273850990e-01 -8.429103065e-01 -9.953280774e-01 3.98 -5.122820388e-01 -8.212976816e-01 -9.705240119e-01 4.00 -4.975874442e-01 -8.001808071e-01 -9.462653070e-01 4.02 -4.832918372e-01 -7.795518957e-01 -9.225443937e-01 4.04 -4.693858536e-01 -7.594030380e-01 -8.993535045e-01 4.06 -4.558602493e-01 -7.397262249e-01 -8.766847017e-01 4.08 -4.427059069e-01 -7.205133679e-01 -8.545299026e-01 4.10 -4.299138410e-01 -7.017563188e-01 -8.328809037e-01 4.12 -4.174752031e-01 -6.834468869e-01 -8.117294029e-01 4.14 -4.053812852e-01 -6.655768559e-01 -7.910670195e-01 4.16 -3.936235235e-01 -6.481379980e-01 -7.708853139e-01 4.18 -3.821935012e-01 -6.311220887e-01 -7.511758046e-01 4.20 -3.710829506e-01 -6.145209185e-01 -7.319299844e-01 4.22 -3.602837554e-01 -5.983263050e-01 -7.131393355e-01 4.24 -3.497879517e-01 -5.825301035e-01 -6.947953432e-01 4.26 -3.395877289e-01 -5.671242163e-01 -6.768895081e-01 4.28 -3.296754310e-01 -5.521006018e-01 -6.594133582e-01 4.30 -3.200435560e-01 -5.374512822e-01 -6.423584589e-01 4.32 -3.106847565e-01 -5.231683512e-01 -6.257164234e-01 4.34 -3.015918394e-01 -5.092439797e-01 -6.094789206e-01 4.36 -2.927577648e-01 -4.956704225e-01 -5.936376840e-01 4.38 -2.841756460e-01 -4.824400230e-01 -5.781845183e-01 4.40 -2.758387477e-01 -4.695452180e-01 -5.631113064e-01 4.42 -2.677404856e-01 -4.569785420e-01 -5.484100149e-01 4.44 -2.598744244e-01 -4.447326306e-01 -5.340727000e-01 4.46 -2.522342766e-01 -4.328002238e-01 -4.994384885e-01 4.48 -2.448139011e-01 -4.211741690e-01 -4.865904711e-01 4.50 -2.376073006e-01 -4.098474229e-01 -4.740534681e-01 4.52 -2.306086210e-01 -3.988130538e-01 -4.618210516e-01 4.54 -2.238121481e-01 -3.880642431e-01 -4.498868603e-01 4.56 -2.172123065e-01 -3.775942870e-01 -4.382446038e-01 4.58 -2.108036572e-01 -3.673965972e-01 -4.268880662e-01 4.60 -2.045808953e-01 -3.574647017e-01 -4.158111086e-01 4.62 -1.985388479e-01 -3.477922457e-01 -4.050076727e-01 4.64 -1.926724718e-01 -3.383729913e-01 -3.944717827e-01 4.66 -1.869768510e-01 -3.292008183e-01 -3.841975476e-01 4.68 -1.814471949e-01 -3.202697237e-01 -3.741791629e-01 4.70 -1.760788352e-01 -3.115738214e-01 -3.644109126e-01 4.72 -1.708672243e-01 -3.031073422e-01 -3.548871698e-01 4.74 -1.658079324e-01 -2.948646325e-01 -3.456023986e-01 4.76 -1.608966450e-01 -2.868401544e-01 -3.365511543e-01 4.78 -1.561291612e-01 -2.790284844e-01 -3.277280844e-01 4.80 -1.515013906e-01 -2.714243126e-01 -3.191279291e-01 4.82 -1.470093514e-01 -2.640224414e-01 -3.107455212e-01 4.84 -1.426491677e-01 -2.568177849e-01 -3.025757868e-01 4.86 -1.384170675e-01 -2.498053672e-01 -2.946137450e-01 4.88 -1.343093800e-01 -2.429803214e-01 -2.868545079e-01 4.90 -1.303225337e-01 -2.363378881e-01 -2.792932799e-01 4.92 -1.264530538e-01 -2.298734141e-01 -2.719253580e-01 4.94 -1.226975602e-01 -2.235823509e-01 -2.647461310e-01 4.96 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