# 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 = AlCr3 # 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 3.039525354e+02 nan nan 0.98 2.780446921e+02 nan nan 1.00 2.546174142e+02 nan nan 1.02 2.331346688e+02 nan nan 1.04 2.137090171e+02 nan nan 1.06 1.958110681e+02 nan nan 1.08 1.794990044e+02 2.655787989e+02 nan 1.10 1.645890047e+02 2.451419475e+02 2.775577178e+02 1.12 1.507679781e+02 2.260401566e+02 2.563166526e+02 1.14 1.383361957e+02 2.083792799e+02 2.371405406e+02 1.16 1.267116569e+02 1.923225250e+02 2.190786292e+02 1.18 1.161939159e+02 1.774502029e+02 2.025353508e+02 1.20 1.063374113e+02 1.641460307e+02 1.873891770e+02 1.22 9.754897675e+01 1.514724591e+02 1.735863602e+02 1.24 8.921025792e+01 1.396709540e+02 1.605385335e+02 1.26 8.181805260e+01 1.289663100e+02 1.485696187e+02 1.28 7.475380817e+01 1.190264965e+02 1.374432972e+02 1.30 6.842947643e+01 1.098567850e+02 1.270372323e+02 1.32 6.248849182e+01 1.012250067e+02 1.175713687e+02 1.34 5.696259206e+01 9.352962723e+01 1.086017123e+02 1.36 5.197353748e+01 8.611656639e+01 1.003951496e+02 1.38 4.738084934e+01 7.928449243e+01 9.288684336e+01 1.40 4.305407931e+01 7.293605596e+01 8.571994584e+01 1.42 3.917587643e+01 6.705937489e+01 7.917941368e+01 1.44 3.566105903e+01 6.189335895e+01 7.300586544e+01 1.46 3.230927614e+01 5.704207323e+01 6.756260728e+01 1.48 2.917395937e+01 5.232251401e+01 6.221730175e+01 1.50 2.628855300e+01 4.795099362e+01 5.738469755e+01 1.52 2.379589181e+01 4.400032415e+01 5.276752915e+01 1.54 2.137155175e+01 4.043046288e+01 4.867435717e+01 1.56 1.910490648e+01 3.692420831e+01 4.467517338e+01 1.58 1.704748727e+01 3.371188691e+01 4.101638361e+01 1.60 1.512848182e+01 3.069889209e+01 3.756383089e+01 1.62 1.352716388e+01 2.790752467e+01 3.435808946e+01 1.64 1.189069920e+01 2.532158183e+01 3.157369867e+01 1.66 1.038812517e+01 2.302156274e+01 2.879095818e+01 1.68 9.009147720e+00 2.088867021e+01 2.620760047e+01 1.70 7.744290436e+00 1.881654372e+01 2.380948359e+01 1.72 6.659052312e+00 1.689832208e+01 2.158353641e+01 1.74 5.682765024e+00 1.522649105e+01 1.951766893e+01 1.76 4.713636612e+00 1.357462378e+01 1.789140157e+01 1.78 3.809349125e+00 1.204684113e+01 1.608649000e+01 1.80 2.983236403e+00 1.063433640e+01 1.441290049e+01 1.82 2.266061359e+00 9.456850642e+00 1.297169344e+01 1.84 1.575746453e+00 8.239821510e+00 1.152470170e+01 1.86 9.850569892e-01 7.308251462e+00 1.018438684e+01 1.88 5.068285522e-01 6.255091601e+00 8.943390627e+00 1.90 3.079613927e-02 5.284180095e+00 7.897615362e+00 1.92 -4.530020706e-01 4.389715587e+00 6.826604502e+00 1.94 -8.906715870e-01 3.619239388e+00 5.836545572e+00 1.96 -1.285763820e+00 2.857651880e+00 4.921886821e+00 1.98 -1.641565625e+00 2.157810091e+00 4.077463237e+00 2.00 -1.961119667e+00 1.515363630e+00 3.405886055e+00 2.02 -2.247243114e+00 9.262672204e-01 2.679502592e+00 2.04 -2.502544806e+00 3.867581306e-01 2.010552593e+00 2.06 -2.676040917e+00 -1.066645743e-01 1.395101903e+00 2.08 -2.849858299e+00 -5.572591349e-01 8.294844191e-01 2.10 -3.019729654e+00 -8.818044839e-01 4.123795541e-01 2.12 -3.171331484e+00 -1.215092741e+00 -2.304501652e-02 2.14 -3.312596163e+00 -1.564259598e+00 -4.696472330e-01 2.16 -3.434542812e+00 -1.880799407e+00 -8.779345842e-01 2.18 -3.538745489e+00 -2.167050702e+00 -1.250556272e+00 2.20 -3.626662496e+00 -2.425192275e+00 -1.589984195e+00 2.22 -3.699644850e+00 -2.657254362e+00 -1.898525230e+00 2.24 -3.705992976e+00 -2.759226721e+00 -2.151857038e+00 2.26 -3.756461233e+00 -2.952062805e+00 -2.406787244e+00 2.28 -3.795221287e+00 -3.123602005e+00 -2.636741544e+00 2.30 -3.823285655e+00 -3.275412593e+00 -2.843481430e+00 2.32 -3.806203000e+00 -3.408956499e+00 -3.028651883e+00 2.34 -3.721120754e+00 -3.525596570e+00 -3.193789209e+00 2.36 -3.731324887e+00 -3.626603295e+00 -3.340328319e+00 2.38 -3.733582348e+00 -3.713161063e+00 -3.469609498e+00 2.40 -3.728622282e+00 -3.786373971e+00 -3.390109040e+00 2.42 -3.717119518e+00 -3.847271228e+00 -3.501584541e+00 2.44 -3.699698430e+00 -3.793866709e+00 -3.598436702e+00 2.46 -3.676936517e+00 -3.839743840e+00 -3.681744813e+00 2.48 -3.649367723e+00 -3.875544577e+00 -3.752517016e+00 2.50 -3.617485532e+00 -3.902074680e+00 -3.811694949e+00 2.52 -3.581745833e+00 -3.822678954e+00 -3.860158075e+00 2.54 -3.542569585e+00 -3.839145243e+00 -3.898727717e+00 2.56 -3.500345296e+00 -3.848039858e+00 -3.928170823e+00 2.58 -3.455431323e+00 -3.849995524e+00 -3.913173732e+00 2.60 -3.408158016e+00 -3.845601573e+00 -3.928651092e+00 2.62 -3.358829705e+00 -3.835406795e+00 -3.936877451e+00 2.64 -3.307726552e+00 -3.819922092e+00 -3.938443243e+00 2.66 -3.255106272e+00 -3.799622961e+00 -3.933899447e+00 2.68 -3.201205736e+00 -3.774951810e+00 -3.923760110e+00 2.70 -3.128005154e+00 -3.746320121e+00 -3.908504716e+00 2.72 -3.073341062e+00 -3.714110480e+00 -3.888580394e+00 2.74 -3.017922779e+00 -3.651933613e+00 -3.864403982e+00 2.76 -2.899073173e+00 -3.615142529e+00 -3.836363969e+00 2.78 -2.846216995e+00 -3.575678025e+00 -3.804822295e+00 2.80 -2.792878455e+00 -3.533829853e+00 -3.770116055e+00 2.82 -2.720275397e+00 -3.489866879e+00 -3.630381357e+00 2.84 -2.667538652e+00 -3.444038452e+00 -3.596135888e+00 2.86 -2.614640828e+00 -3.396575682e+00 -3.559267199e+00 2.88 -2.561694190e+00 -3.347692635e+00 -3.520046964e+00 2.90 -2.508800918e+00 -3.297587454e+00 -3.478727922e+00 2.92 -2.456053837e+00 -3.246443408e+00 -3.435545079e+00 2.94 -2.403537097e+00 -3.194429867e+00 -3.390716830e+00 2.96 -2.351326804e+00 -3.141703230e+00 -3.344446018e+00 2.98 -2.299491613e+00 -3.088407772e+00 -3.296920919e+00 3.00 -2.248093277e+00 -3.034676457e+00 -3.248316172e+00 3.02 -2.197187160e+00 -2.980631690e+00 -3.198793648e+00 3.04 -2.146822715e+00 -2.926386015e+00 -3.148503268e+00 3.06 -2.097043925e+00 -2.872042784e+00 -3.097583767e+00 3.08 -2.047889724e+00 -2.817696767e+00 -3.046163411e+00 3.10 -1.999394378e+00 -2.763434735e+00 -2.994360676e+00 3.12 -1.951587846e+00 -2.709335999e+00 -2.942284874e+00 3.14 -1.904496114e+00 -2.655472919e+00 -2.890036748e+00 3.16 -1.831130120e+00 -2.568489889e+00 -2.783686255e+00 3.18 -1.786877740e+00 -2.517012527e+00 -2.734056479e+00 3.20 -1.743330019e+00 -2.465862247e+00 -2.684376049e+00 3.22 -1.700503312e+00 -2.415092566e+00 -2.634723370e+00 3.24 -1.658411194e+00 -2.364751907e+00 -2.585170410e+00 3.26 -1.617064682e+00 -2.314883957e+00 -2.535783118e+00 3.28 -1.576472445e+00 -2.265527995e+00 -2.486621816e+00 3.30 -1.536641001e+00 -2.116324519e+00 -2.437741575e+00 3.32 -1.497574897e+00 -2.073054538e+00 -2.389192559e+00 3.34 -1.459276876e+00 -2.030146604e+00 -2.341020349e+00 3.36 -1.421748034e+00 -1.987637196e+00 -2.293266255e+00 3.38 -1.348067190e+00 -1.945559169e+00 -2.245967600e+00 3.40 -1.313963650e+00 -1.903942003e+00 -2.199157988e+00 3.42 -1.280527728e+00 -1.862812038e+00 -2.152867562e+00 3.44 -1.247760174e+00 -1.822192690e+00 -2.107123239e+00 3.46 -1.215660482e+00 -1.782104660e+00 -2.061948930e+00 3.48 -1.184226996e+00 -1.742566120e+00 -2.017365757e+00 3.50 -1.121456492e+00 -1.703592898e+00 -1.973392239e+00 3.52 -1.092784773e+00 -1.665198647e+00 -1.930044486e+00 3.54 -1.064704191e+00 -1.627395000e+00 -1.887336362e+00 3.56 -1.037212300e+00 -1.590191722e+00 -1.845279656e+00 3.58 -1.010305842e+00 -1.553596846e+00 -1.803884226e+00 3.60 -9.839808163e-01 -1.517616804e+00 -1.763158145e+00 3.62 -9.582325551e-01 -1.482256552e+00 -1.723107834e+00 3.64 -9.152801078e-01 -1.447519679e+00 -1.581418879e+00 3.66 -8.913600472e-01 -1.413408519e+00 -1.547316783e+00 3.68 -8.679728677e-01 -1.379924244e+00 -1.513696366e+00 3.70 -8.451128377e-01 -1.347066967e+00 -1.480567669e+00 3.72 -8.227738106e-01 -1.314835820e+00 -1.447939238e+00 3.74 -8.009492709e-01 -1.283229043e+00 -1.415818229e+00 3.76 -7.796323779e-01 -1.252244056e+00 -1.384210504e+00 3.78 -7.588160054e-01 -1.221877530e+00 -1.353120730e+00 3.80 -7.384927789e-01 -1.192125459e+00 -1.322552463e+00 3.82 -7.186551097e-01 -1.162983214e+00 -1.292508234e+00 3.84 -6.992952269e-01 -1.134445611e+00 -1.262989621e+00 3.86 -6.804052061e-01 -1.051322446e+00 -1.233997329e+00 3.88 -6.619769971e-01 -1.026232734e+00 -1.205531253e+00 3.90 -6.440024479e-01 -1.001636777e+00 -1.177590544e+00 3.92 -6.264733284e-01 -9.775314309e-01 -1.150173668e+00 3.94 -6.093813508e-01 -9.539130726e-01 -1.123278463e+00 3.96 -5.927181893e-01 -9.307776468e-01 -1.096902193e+00 3.98 -5.764754976e-01 -9.081207061e-01 -1.071041595e+00 4.00 -5.606449251e-01 -8.859374492e-01 -1.045692924e+00 4.02 -5.452181317e-01 -8.642227563e-01 -1.020852003e+00 4.04 -5.301868015e-01 -8.429712227e-01 -9.965142549e-01 4.06 -5.155426550e-01 -8.221771896e-01 -9.726747462e-01 4.08 -5.012774601e-01 -8.018347726e-01 -9.493282200e-01 4.10 -4.873830422e-01 -7.819378894e-01 -9.264691294e-01 4.12 -4.738512939e-01 -7.624802837e-01 -9.040916683e-01 4.14 -4.606741824e-01 -7.434555495e-01 -8.821898005e-01 4.16 -4.478437576e-01 -7.248571521e-01 -8.607572860e-01 4.18 -4.353521583e-01 -7.066784481e-01 -8.397877062e-01 4.20 -4.231916181e-01 -6.889127045e-01 -8.192744874e-01 4.22 -4.113544709e-01 -6.715531153e-01 -7.992109222e-01 4.24 -3.998331553e-01 -6.545928182e-01 -7.795901895e-01 4.26 -3.886202186e-01 -6.380249085e-01 -7.604053737e-01 4.28 -3.777083201e-01 -6.218424536e-01 -7.416494815e-01 4.30 -3.670902345e-01 -6.060385050e-01 -7.233154585e-01 4.32 -3.567588541e-01 -5.906061099e-01 -7.053962038e-01 4.34 -3.467071910e-01 -5.755383224e-01 -6.878845839e-01 4.36 -3.369283789e-01 -5.608282126e-01 -6.707734455e-01 4.38 -3.274156743e-01 -5.464688762e-01 -6.540556273e-01 4.40 -3.181624574e-01 -5.324534423e-01 -6.377239709e-01 4.42 -3.091622334e-01 -5.187750812e-01 -6.217713305e-01 4.44 -3.004086322e-01 -5.054270111e-01 -6.061905828e-01 4.46 -2.918954090e-01 -4.924025041e-01 -5.635244560e-01 4.48 -2.836164445e-01 -4.796948926e-01 -5.496408610e-01 4.50 -2.755657440e-01 -4.672975736e-01 -5.360733068e-01 4.52 -2.677374375e-01 -4.552040135e-01 -5.228160665e-01 4.54 -2.601257787e-01 -4.434077527e-01 -5.098634279e-01 4.56 -2.527251446e-01 -4.319024087e-01 -4.972097002e-01 4.58 -2.455300341e-01 -4.206816797e-01 -4.848492199e-01 4.60 -2.385350674e-01 -4.097393472e-01 -4.727763571e-01 4.62 -2.317349845e-01 -3.990692791e-01 -4.609855203e-01 4.64 -2.251246442e-01 -3.886654311e-01 -4.494711610e-01 4.66 -2.186990223e-01 -3.785218494e-01 -4.382277784e-01 4.68 -2.124532106e-01 -3.686326717e-01 -4.272499234e-01 4.70 -2.063824151e-01 -3.589921288e-01 -4.165322014e-01 4.72 -2.004819544e-01 -3.495945459e-01 -4.060692763e-01 4.74 -1.947472580e-01 -3.404343430e-01 -3.958558732e-01 4.76 -1.891738651e-01 -3.315060358e-01 -3.858867806e-01 4.78 -1.837574220e-01 -3.228042365e-01 -3.761568529e-01 4.80 -1.784936811e-01 -3.143236533e-01 -3.666610125e-01 4.82 -1.733784984e-01 -3.060590912e-01 -3.573942514e-01 4.84 -1.684078325e-01 -2.980054519e-01 -3.483516330e-01 4.86 -1.635777419e-01 -2.901577331e-01 -3.395282929e-01 4.88 -1.588843835e-01 -2.825110287e-01 -3.309194405e-01 4.90 -1.543240111e-01 -2.750605283e-01 -3.225203598e-01 4.92 -1.498929729e-01 -2.678015166e-01 -3.143264098e-01 4.94 -1.455877098e-01 -2.607293726e-01 -3.063330256e-01 4.96 -1.414047537e-01 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