# 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 = Al3Fe # 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 2.550530506e+02 nan nan 0.98 2.341523452e+02 nan nan 1.00 2.153235960e+02 nan nan 1.02 1.979224754e+02 nan nan 1.04 1.822816435e+02 nan nan 1.06 1.677401722e+02 nan nan 1.08 1.542764258e+02 2.243123523e+02 nan 1.10 1.422882988e+02 2.080243591e+02 2.340871180e+02 1.12 1.308453292e+02 1.924535548e+02 2.167748348e+02 1.14 1.207470087e+02 1.779448969e+02 2.014762962e+02 1.16 1.111252282e+02 1.649123686e+02 1.866600953e+02 1.18 1.024380444e+02 1.527266088e+02 1.731645035e+02 1.20 9.411992876e+01 1.421896909e+02 1.608781301e+02 1.22 8.688950117e+01 1.317338532e+02 1.498515462e+02 1.24 7.979592839e+01 1.218834003e+02 1.391152733e+02 1.26 7.365334958e+01 1.131026180e+02 1.293439793e+02 1.28 6.761097784e+01 1.048849768e+02 1.201849409e+02 1.30 6.240275619e+01 9.728655367e+01 1.114944574e+02 1.32 5.727052309e+01 8.998361557e+01 1.037285697e+02 1.34 5.246479730e+01 8.372176499e+01 9.616261248e+01 1.36 4.829554501e+01 7.739525658e+01 8.931053757e+01 1.38 4.434629963e+01 7.157126736e+01 8.312487648e+01 1.40 4.052154825e+01 6.612384471e+01 7.701433234e+01 1.42 3.716403032e+01 6.106743142e+01 7.151081131e+01 1.44 3.412752503e+01 5.686319284e+01 6.621304300e+01 1.46 3.109370834e+01 5.282060770e+01 6.178962082e+01 1.48 2.826644263e+01 4.868694644e+01 5.715476922e+01 1.50 2.565363593e+01 4.484616187e+01 5.305736404e+01 1.52 2.348481152e+01 4.145175677e+01 4.902168580e+01 1.54 2.133060148e+01 3.845851985e+01 4.560600184e+01 1.56 1.923705332e+01 3.532567474e+01 4.207440640e+01 1.58 1.734791090e+01 3.247345864e+01 3.887590735e+01 1.60 1.555628905e+01 2.975937651e+01 3.580332489e+01 1.62 1.420475302e+01 2.723523803e+01 3.294040820e+01 1.64 1.264890735e+01 2.488749697e+01 3.061350327e+01 1.66 1.121231214e+01 2.287308912e+01 2.809689041e+01 1.68 9.886160946e+00 2.099577025e+01 2.575158253e+01 1.70 8.662334981e+00 1.907817168e+01 2.356574161e+01 1.72 7.743017497e+00 1.729486192e+01 2.152842260e+01 1.74 6.791609532e+00 1.581127282e+01 1.962949822e+01 1.76 5.858189879e+00 1.425501904e+01 1.837485531e+01 1.78 4.947520226e+00 1.280833685e+01 1.668313267e+01 1.80 4.109202438e+00 1.146374405e+01 1.510709728e+01 1.82 3.399680976e+00 1.043968880e+01 1.382401793e+01 1.84 2.685967669e+00 9.261226231e+00 1.244225685e+01 1.86 2.136723346e+00 8.507420008e+00 1.115566222e+01 1.88 1.637561306e+00 7.465083295e+00 9.957935408e+00 1.90 1.095101912e+00 6.497976772e+00 9.024185289e+00 1.92 5.731276356e-01 5.601052237e+00 7.973373039e+00 1.94 9.564664591e-02 4.858792854e+00 6.996065303e+00 1.96 -3.405417945e-01 4.081904843e+00 6.087459207e+00 1.98 -7.384096593e-01 3.362537283e+00 5.243078686e+00 2.00 -1.100717409e+00 2.696862462e+00 4.639516649e+00 2.02 -1.430029836e+00 2.081312772e+00 3.898455719e+00 2.04 -1.728730626e+00 1.512561722e+00 3.210832896e+00 2.06 -1.847031367e+00 9.875064675e-01 2.573192908e+00 2.08 -2.065500694e+00 5.032517198e-01 1.982308608e+00 2.10 -2.260317747e+00 2.089970270e-01 1.612895738e+00 2.12 -2.443095294e+00 -1.283033426e-01 1.182275279e+00 2.14 -2.633835259e+00 -5.211023118e-01 6.969776444e-01 2.16 -2.804139010e+00 -8.818368034e-01 2.486832027e-01 2.18 -2.955510585e+00 -1.212635149e+00 -1.649927498e-01 2.20 -3.089350492e+00 -1.515487070e+00 -5.462820000e-01 2.22 -3.206962980e+00 -1.792253143e+00 -8.972737825e-01 2.24 -3.220347557e+00 -1.866243170e+00 -1.175316783e+00 2.26 -3.314779281e+00 -2.107372434e+00 -1.474315076e+00 2.28 -3.396020570e+00 -2.326581305e+00 -1.748339398e+00 2.30 -3.465075731e+00 -2.525340597e+00 -1.999009408e+00 2.32 -3.422034499e+00 -2.705027178e+00 -2.227843083e+00 2.34 -3.364559706e+00 -2.866930149e+00 -2.436263365e+00 2.36 -3.415342288e+00 -3.012256582e+00 -2.625604350e+00 2.38 -3.456510131e+00 -3.142136872e+00 -2.797117029e+00 2.40 -3.488817448e+00 -3.257629702e+00 -2.610099605e+00 2.42 -3.512967254e+00 -3.359726681e+00 -2.770150558e+00 2.44 -3.529614759e+00 -3.268061234e+00 -2.914430563e+00 2.46 -3.539370545e+00 -3.356833838e+00 -3.043981977e+00 2.48 -3.542803518e+00 -3.434194154e+00 -3.159783188e+00 2.50 -3.540443665e+00 -3.500942105e+00 -3.262752590e+00 2.52 -3.532784618e+00 -3.385276512e+00 -3.353752304e+00 2.54 -3.520286056e+00 -3.442976543e+00 -3.433591646e+00 2.56 -3.503375935e+00 -3.491603178e+00 -3.503030386e+00 2.58 -3.482452578e+00 -3.531805633e+00 -3.502182066e+00 2.60 -3.457886620e+00 -3.564192552e+00 -3.556290641e+00 2.62 -3.430022826e+00 -3.589334493e+00 -3.601823662e+00 2.64 -3.399181789e+00 -3.607766270e+00 -3.639381315e+00 2.66 -3.365661513e+00 -3.619989134e+00 -3.669527091e+00 2.68 -3.329738898e+00 -3.626472824e+00 -3.692790001e+00 2.70 -3.239990260e+00 -3.627657487e+00 -3.709666643e+00 2.72 -3.202718838e+00 -3.623955484e+00 -3.720623160e+00 2.74 -3.163622907e+00 -3.570730479e+00 -3.726097054e+00 2.76 -3.050996472e+00 -3.560757414e+00 -3.726498906e+00 2.78 -3.012839096e+00 -3.546860883e+00 -3.722213980e+00 2.80 -2.973232467e+00 -3.529364293e+00 -3.713603733e+00 2.82 -2.879094381e+00 -3.508570419e+00 -3.520920590e+00 2.84 -2.839777178e+00 -3.484762645e+00 -3.513932274e+00 2.86 -2.799384120e+00 -3.458206137e+00 -3.503100376e+00 2.88 -2.758065498e+00 -3.429148933e+00 -3.488728160e+00 2.90 -2.715960552e+00 -3.397822981e+00 -3.471100218e+00 2.92 -2.673198177e+00 -3.364445104e+00 -3.450483560e+00 2.94 -2.629897590e+00 -3.329217910e+00 -3.427128636e+00 2.96 -2.586168962e+00 -3.292330650e+00 -3.401270299e+00 2.98 -2.542113994e+00 -3.253960023e+00 -3.373128712e+00 3.00 -2.497826477e+00 -3.214270930e+00 -3.342910202e+00 3.02 -2.453392801e+00 -3.173417186e+00 -3.310808065e+00 3.04 -2.408892442e+00 -3.131542191e+00 -3.277003321e+00 3.06 -2.364398414e+00 -3.088779560e+00 -3.241665433e+00 3.08 -2.319977695e+00 -3.045253709e+00 -3.204952976e+00 3.10 -2.275691628e+00 -3.001080419e+00 -3.167014273e+00 3.12 -2.231596291e+00 -2.956367356e+00 -3.127987991e+00 3.14 -2.187742853e+00 -2.911214566e+00 -3.088003707e+00 3.16 -2.098744927e+00 -2.806691641e+00 -2.956316494e+00 3.18 -2.057587422e+00 -2.763658613e+00 -2.918924500e+00 3.20 -2.016704922e+00 -2.720319879e+00 -2.880725614e+00 3.22 -1.976136225e+00 -2.676754983e+00 -2.841826424e+00 3.24 -1.935916488e+00 -2.633037666e+00 -2.802326441e+00 3.26 -1.896077477e+00 -2.589236221e+00 -2.762318503e+00 3.28 -1.856647799e+00 -2.545413825e+00 -2.721889168e+00 3.30 -1.817653110e+00 -2.324353429e+00 -2.681119072e+00 3.32 -1.779116327e+00 -2.288510001e+00 -2.640083276e+00 3.34 -1.741057812e+00 -2.252462976e+00 -2.598851595e+00 3.36 -1.703495552e+00 -2.216272830e+00 -2.557488897e+00 3.38 -1.562053833e+00 -2.179995705e+00 -2.516055400e+00 3.40 -1.529907113e+00 -2.143683659e+00 -2.474606943e+00 3.42 -1.498116711e+00 -2.107384905e+00 -2.433195243e+00 3.44 -1.466699994e+00 -2.071144045e+00 -2.391868143e+00 3.46 -1.435672413e+00 -2.035002275e+00 -2.350669836e+00 3.48 -1.405047634e+00 -1.998997597e+00 -2.309641090e+00 3.50 -1.338239251e+00 -1.963165004e+00 -2.268819448e+00 3.52 -1.310051544e+00 -1.927536664e+00 -2.228239422e+00 3.54 -1.282228959e+00 -1.892142092e+00 -2.187932681e+00 3.56 -1.254782118e+00 -1.857008305e+00 -2.147928217e+00 3.58 -1.227720279e+00 -1.822159983e+00 -2.108252513e+00 3.60 -1.201051426e+00 -1.787619608e+00 -2.068929696e+00 3.62 -1.174782364e+00 -1.753407599e+00 -2.029981681e+00 3.64 -1.140572534e+00 -1.719542442e+00 -1.811118672e+00 3.66 -1.115494529e+00 -1.686040813e+00 -1.780214405e+00 3.68 -1.090813635e+00 -1.652917689e+00 -1.749451011e+00 3.70 -1.066533457e+00 -1.620186456e+00 -1.718854069e+00 3.72 -1.042656752e+00 -1.587859014e+00 -1.688447143e+00 3.74 -1.019185495e+00 -1.555945870e+00 -1.658251894e+00 3.76 -9.961209362e-01 -1.524456228e+00 -1.628288198e+00 3.78 -9.734636567e-01 -1.493398080e+00 -1.598574245e+00 3.80 -9.512136186e-01 -1.462778277e+00 -1.569126640e+00 3.82 -9.293702147e-01 -1.432602616e+00 -1.539960497e+00 3.84 -9.079323132e-01 -1.402875902e+00 -1.511089526e+00 3.86 -8.868983012e-01 -1.280950115e+00 -1.482526122e+00 3.88 -8.662661238e-01 -1.255603934e+00 -1.454281437e+00 3.90 -8.460333222e-01 -1.230586911e+00 -1.426365462e+00 3.92 -8.261970683e-01 -1.205905230e+00 -1.398787098e+00 3.94 -8.067541978e-01 -1.181564227e+00 -1.371554218e+00 3.96 -7.877012412e-01 -1.157568441e+00 -1.344673737e+00 3.98 -7.690344521e-01 -1.133921670e+00 -1.318151668e+00 4.00 -7.507498343e-01 -1.110627018e+00 -1.291993182e+00 4.02 -7.328431673e-01 -1.087686941e+00 -1.266202663e+00 4.04 -7.153100292e-01 -1.065103294e+00 -1.240783755e+00 4.06 -6.981458194e-01 -1.042877369e+00 -1.215739413e+00 4.08 -6.813457782e-01 -1.021009935e+00 -1.191071948e+00 4.10 -6.649050068e-01 -9.995012764e-01 -1.166783072e+00 4.12 -6.488184843e-01 -9.783512257e-01 -1.142873937e+00 4.14 -6.330810850e-01 -9.575591980e-01 -1.119345172e+00 4.16 -6.176875933e-01 -9.371242212e-01 -1.096196923e+00 4.18 -6.026327183e-01 -9.170449654e-01 -1.073428885e+00 4.20 -5.879111071e-01 -8.973197700e-01 -1.051040334e+00 4.22 -5.735173571e-01 -8.779466703e-01 -1.029030160e+00 4.24 -5.594460277e-01 -8.589234211e-01 -1.007396894e+00 4.26 -5.456916505e-01 -8.402475201e-01 -9.861387347e-01 4.28 -5.322487398e-01 -8.219162298e-01 -9.652535764e-01 4.30 -5.191118009e-01 -8.039265971e-01 -9.447390311e-01 4.32 -5.062753392e-01 -7.862754729e-01 -9.245924521e-01 4.34 -4.937338676e-01 -7.689595299e-01 -9.048109556e-01 4.36 -4.814819136e-01 -7.519752797e-01 -8.853914407e-01 4.38 -4.695140259e-01 -7.353190883e-01 -8.663306084e-01 4.40 -4.578247805e-01 -7.189871913e-01 -8.476249799e-01 4.42 -4.464087861e-01 -7.029757075e-01 -8.292709127e-01 4.44 -4.352606892e-01 -6.872806524e-01 -8.112646170e-01 4.46 -4.243751785e-01 -6.718979502e-01 -7.474944641e-01 4.48 -4.137469891e-01 -6.568234453e-01 -7.316719325e-01 4.50 -4.033709067e-01 -6.420529132e-01 -7.161366932e-01 4.52 -3.932417702e-01 -6.275820703e-01 -7.008860342e-01 4.54 -3.833544754e-01 -6.134065835e-01 -6.859171160e-01 4.56 -3.737039775e-01 -5.995220791e-01 -6.712269832e-01 4.58 -3.642852938e-01 -5.859241506e-01 -6.568125762e-01 4.60 -3.550935052e-01 -5.726083667e-01 -6.426707415e-01 4.62 -3.461237590e-01 -5.595702782e-01 -6.287982422e-01 4.64 -3.373712698e-01 -5.468054247e-01 -6.151917669e-01 4.66 -3.288313214e-01 -5.343093409e-01 -6.018479388e-01 4.68 -3.204992679e-01 -5.220775620e-01 -5.887633241e-01 4.70 -3.123705346e-01 -5.101056293e-01 -5.759344395e-01 4.72 -3.044406192e-01 -4.983890948e-01 -5.633577597e-01 4.74 -2.967050919e-01 -4.869235263e-01 -5.510297245e-01 4.76 -2.891595966e-01 -4.757045109e-01 -5.389467444e-01 4.78 -2.817998509e-01 -4.647276593e-01 -5.271052075e-01 4.80 -2.746216463e-01 -4.539886093e-01 -5.155014846e-01 4.82 -2.676208485e-01 -4.434830292e-01 -5.041319345e-01 4.84 -2.607933974e-01 -4.332066203e-01 -4.929929089e-01 4.86 -2.541353070e-01 -4.231551202e-01 -4.820807570e-01 4.88 -2.476426651e-01 -4.133243052e-01 -4.713918297e-01 4.90 -2.413116332e-01 -4.037099921e-01 -4.609224834e-01 4.92 -2.351384459e-01 -3.943080410e-01 -4.506690841e-01 4.94 -2.291194107e-01 -3.851143566e-01 -4.406280101e-01 4.96 -2.232509074e-01 -3.761248901e-01 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