# 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 = Mn3Ni # 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 2.230134019e+02 nan nan 0.98 2.037698025e+02 nan nan 1.00 1.863577653e+02 nan nan 1.02 1.704149363e+02 nan nan 1.04 1.559883149e+02 nan nan 1.06 1.427180690e+02 nan nan 1.08 1.305886215e+02 1.944550372e+02 nan 1.10 1.195676063e+02 1.792649998e+02 2.033596449e+02 1.12 1.093453677e+02 1.650912719e+02 1.875975204e+02 1.14 1.001434093e+02 1.520047159e+02 1.733493799e+02 1.16 9.157053326e+01 1.400997992e+02 1.599624814e+02 1.18 8.379498166e+01 1.290803063e+02 1.476999284e+02 1.20 7.653329907e+01 1.192060113e+02 1.364612787e+02 1.22 7.003711250e+01 1.098276867e+02 1.262215330e+02 1.24 6.390633408e+01 1.011122247e+02 1.165623348e+02 1.26 5.844676555e+01 9.319996464e+01 1.077064313e+02 1.28 5.326638375e+01 8.586118967e+01 9.948098639e+01 1.30 4.862984440e+01 7.908802398e+01 9.179945410e+01 1.32 4.427183238e+01 7.273411435e+01 8.480747894e+01 1.34 4.023256783e+01 6.705596074e+01 7.819968992e+01 1.36 3.660050052e+01 6.160950770e+01 7.214732641e+01 1.38 3.324518193e+01 5.659155929e+01 6.661254121e+01 1.40 3.009358894e+01 5.193580404e+01 6.134646329e+01 1.42 2.726215019e+01 4.763013822e+01 5.653347961e+01 1.44 2.469461254e+01 4.383225792e+01 5.200571586e+01 1.46 2.224916192e+01 4.026405467e+01 4.799993729e+01 1.48 1.998160774e+01 3.681959022e+01 4.408815557e+01 1.50 1.789826161e+01 3.363280319e+01 4.054171482e+01 1.52 1.608728488e+01 3.075079591e+01 3.717046419e+01 1.54 1.434846140e+01 2.814458123e+01 3.417405517e+01 1.56 1.272137222e+01 2.559919506e+01 3.126121736e+01 1.58 1.124508943e+01 2.326691087e+01 2.859411027e+01 1.60 9.873374467e+00 2.108590290e+01 2.608576207e+01 1.62 8.727130491e+00 1.906833473e+01 2.375971448e+01 1.64 7.562877228e+00 1.720215470e+01 2.173204255e+01 1.66 6.496546764e+00 1.554040594e+01 1.971904352e+01 1.68 5.520511312e+00 1.400207194e+01 1.785300342e+01 1.70 4.627752699e+00 1.251480825e+01 1.612340964e+01 1.72 3.874269810e+00 1.114058045e+01 1.452054813e+01 1.74 3.176643220e+00 9.936106618e+00 1.303543639e+01 1.76 2.501582702e+00 8.757873412e+00 1.185526112e+01 1.78 1.871349617e+00 7.670510380e+00 1.056303335e+01 1.80 1.297799660e+00 6.667486223e+00 9.367124278e+00 1.82 7.996551114e-01 5.828902358e+00 8.330137973e+00 1.84 3.245236075e-01 4.969099287e+00 7.300809688e+00 1.86 -7.420180675e-02 4.306524095e+00 6.349497775e+00 1.88 -4.108251383e-01 3.566758625e+00 5.470750621e+00 1.90 -7.479175023e-01 2.886800203e+00 4.728715703e+00 1.92 -1.072883479e+00 2.262361584e+00 3.974295118e+00 1.94 -1.364857176e+00 1.722700651e+00 3.278823845e+00 1.96 -1.626442277e+00 1.194821830e+00 2.638197297e+00 1.98 -1.860045844e+00 7.116011911e-01 2.048598955e+00 2.00 -2.067893582e+00 2.698323752e-01 1.573996974e+00 2.02 -2.252043833e+00 -1.334638489e-01 1.070478978e+00 2.04 -2.414400432e+00 -5.010564677e-01 6.085195825e-01 2.06 -2.511738144e+00 -8.355197458e-01 1.852185935e-01 2.08 -2.621300006e+00 -1.139247510e+00 -2.021246809e-01 2.10 -2.722022158e+00 -1.356357116e+00 -4.875735061e-01 2.12 -2.810528374e+00 -1.578027658e+00 -7.829562982e-01 2.14 -2.893328849e+00 -1.808989271e+00 -1.084371856e+00 2.16 -2.962675370e+00 -2.016711002e+00 -1.358320325e+00 2.18 -3.019707280e+00 -2.202903087e+00 -1.606745532e+00 2.20 -3.065478554e+00 -2.369157294e+00 -1.831459614e+00 2.22 -3.100964114e+00 -2.516955286e+00 -2.034152204e+00 2.24 -3.093814045e+00 -2.581173123e+00 -2.199773123e+00 2.26 -3.113831384e+00 -2.701033226e+00 -2.364276451e+00 2.28 -3.125887405e+00 -2.805931631e+00 -2.511082976e+00 2.30 -3.130708243e+00 -2.897008163e+00 -2.641477966e+00 2.32 -3.099147032e+00 -2.975323986e+00 -2.756660396e+00 2.34 -3.037739776e+00 -3.041867021e+00 -2.857748805e+00 2.36 -3.030621797e+00 -3.097556981e+00 -2.945786731e+00 2.38 -3.018241376e+00 -3.143250033e+00 -3.021747758e+00 2.40 -3.001116651e+00 -3.179743143e+00 -2.956922130e+00 2.42 -2.979726030e+00 -3.207778100e+00 -3.020410275e+00 2.44 -2.954511058e+00 -3.158691844e+00 -3.073742870e+00 2.46 -2.925879079e+00 -3.176544640e+00 -3.117700411e+00 2.48 -2.894205708e+00 -3.187551028e+00 -3.153010916e+00 2.50 -2.859837121e+00 -3.192288425e+00 -3.180353391e+00 2.52 -2.823092182e+00 -3.125779852e+00 -3.200361058e+00 2.54 -2.784264418e+00 -3.123895394e+00 -3.213624362e+00 2.56 -2.743623853e+00 -3.116956305e+00 -3.220693778e+00 2.58 -2.701418709e+00 -3.105413106e+00 -3.199426570e+00 2.60 -2.657876986e+00 -3.089684565e+00 -3.197075004e+00 2.62 -2.613207934e+00 -3.070159816e+00 -3.189872449e+00 2.64 -2.567603412e+00 -3.047200330e+00 -3.178239988e+00 2.66 -2.521239162e+00 -3.021141765e+00 -3.162569809e+00 2.68 -2.474275979e+00 -2.992295678e+00 -3.143227092e+00 2.70 -2.411507388e+00 -2.960951137e+00 -3.120551755e+00 2.72 -2.364726504e+00 -2.927376217e+00 -3.094860105e+00 2.74 -2.317691164e+00 -2.875013344e+00 -3.066446364e+00 2.76 -2.234432777e+00 -2.838729513e+00 -3.035584105e+00 2.78 -2.189403156e+00 -2.800844878e+00 -3.002527594e+00 2.80 -2.144301826e+00 -2.761560398e+00 -2.967513045e+00 2.82 -2.083306938e+00 -2.721061954e+00 -2.861938852e+00 2.84 -2.039276887e+00 -2.679521352e+00 -2.827717934e+00 2.86 -1.995375161e+00 -2.637097272e+00 -2.791911211e+00 2.88 -1.951674456e+00 -2.593936145e+00 -2.754707665e+00 2.90 -1.908240373e+00 -2.550172975e+00 -2.716282575e+00 2.92 -1.865131949e+00 -2.505932116e+00 -2.676798410e+00 2.94 -1.822402148e+00 -2.461327984e+00 -2.636405651e+00 2.96 -1.780098327e+00 -2.416465735e+00 -2.595243581e+00 2.98 -1.738262658e+00 -2.371441895e+00 -2.553441001e+00 3.00 -1.696932528e+00 -2.326344942e+00 -2.511116923e+00 3.02 -1.656140910e+00 -2.281255865e+00 -2.468381205e+00 3.04 -1.615916704e+00 -2.236248672e+00 -2.425335153e+00 3.06 -1.576285062e+00 -2.191390873e+00 -2.382072081e+00 3.08 -1.537267683e+00 -2.146743930e+00 -2.338677838e+00 3.10 -1.498883089e+00 -2.102363680e+00 -2.295231303e+00 3.12 -1.461146882e+00 -2.058300723e+00 -2.251804848e+00 3.14 -1.424071987e+00 -2.014600794e+00 -2.208464769e+00 3.16 -1.370684294e+00 -1.948806948e+00 -2.131302546e+00 3.18 -1.335861692e+00 -1.907145706e+00 -2.090112864e+00 3.20 -1.301677676e+00 -1.865895795e+00 -2.049080819e+00 3.22 -1.268139009e+00 -1.825090010e+00 -2.008257206e+00 3.24 -1.235250609e+00 -1.784757616e+00 -1.967688280e+00 3.26 -1.203015704e+00 -1.744924604e+00 -1.927416060e+00 3.28 -1.171435987e+00 -1.705613932e+00 -1.887478621e+00 3.30 -1.140511749e+00 -1.599261005e+00 -1.847910358e+00 3.32 -1.110242005e+00 -1.564488513e+00 -1.808742241e+00 3.34 -1.080624617e+00 -1.530117197e+00 -1.770002053e+00 3.36 -1.051656400e+00 -1.496168684e+00 -1.731714608e+00 3.38 -9.922613044e-01 -1.462662106e+00 -1.693901962e+00 3.40 -9.661251311e-01 -1.429614278e+00 -1.656583608e+00 3.42 -9.405465768e-01 -1.397039869e+00 -1.619776657e+00 3.44 -9.155229885e-01 -1.364951554e+00 -1.583496009e+00 3.46 -8.910509228e-01 -1.333360164e+00 -1.547754514e+00 3.48 -8.671262229e-01 -1.302274825e+00 -1.512563122e+00 3.50 -8.253495794e-01 -1.271703082e+00 -1.477931023e+00 3.52 -8.033849279e-01 -1.241651024e+00 -1.443865781e+00 3.54 -7.819096252e-01 -1.212123392e+00 -1.410373451e+00 3.56 -7.609193122e-01 -1.183123690e+00 -1.377458702e+00 3.58 -7.404091335e-01 -1.154654278e+00 -1.345124918e+00 3.60 -7.203737908e-01 -1.126716465e+00 -1.313374305e+00 3.62 -7.008075915e-01 -1.099310599e+00 -1.282207978e+00 3.64 -6.745188246e-01 -1.072436142e+00 -1.182706931e+00 3.66 -6.562020677e-01 -1.046091749e+00 -1.155885211e+00 3.68 -6.383203895e-01 -1.020275334e+00 -1.129499651e+00 3.70 -6.208676242e-01 -9.949841393e-01 -1.103554485e+00 3.72 -6.038373764e-01 -9.702147941e-01 -1.078052948e+00 3.74 -5.872230529e-01 -9.459633714e-01 -1.052997356e+00 3.76 -5.710178920e-01 -9.222254412e-01 -1.028389171e+00 3.78 -5.552149910e-01 -8.989961199e-01 -1.004229071e+00 3.80 -5.398073304e-01 -8.762701156e-01 -9.805170115e-01 3.82 -5.247877976e-01 -8.540417715e-01 -9.572522835e-01 3.84 -5.101492073e-01 -8.323051049e-01 -9.344335681e-01 3.86 -4.958843216e-01 -7.763059069e-01 -9.120589876e-01 3.88 -4.819858671e-01 -7.570450919e-01 -8.901261531e-01 3.90 -4.684465514e-01 -7.381909260e-01 -8.686322097e-01 3.92 -4.552590779e-01 -7.197392809e-01 -8.475738774e-01 3.94 -4.424161596e-01 -7.016857435e-01 -8.269474912e-01 3.96 -4.299105310e-01 -6.840256457e-01 -8.067490369e-01 3.98 -4.177349594e-01 -6.667540933e-01 -7.869741852e-01 4.00 -4.058822553e-01 -6.498659914e-01 -7.676183238e-01 4.02 -3.943452813e-01 -6.333560689e-01 -7.486765870e-01 4.04 -3.831169606e-01 -6.172189011e-01 -7.301438829e-01 4.06 -3.721902842e-01 -6.014489310e-01 -7.120149199e-01 4.08 -3.615583177e-01 -5.860404879e-01 -6.942842300e-01 4.10 -3.512142073e-01 -5.709878064e-01 -6.769461916e-01 4.12 -3.411511847e-01 -5.562850424e-01 -6.599950500e-01 4.14 -3.313625723e-01 -5.419262891e-01 -6.434249367e-01 4.16 -3.218417868e-01 -5.279055907e-01 -6.272298875e-01 4.18 -3.125823429e-01 -5.142169562e-01 -6.114038586e-01 4.20 -3.035778564e-01 -5.008543711e-01 -5.959407426e-01 4.22 -2.948220467e-01 -4.878118089e-01 -5.808343825e-01 4.24 -2.863087393e-01 -4.750832413e-01 -5.660785847e-01 4.26 -2.780318670e-01 -4.626626476e-01 -5.516671313e-01 4.28 -2.699854719e-01 -4.505440237e-01 -5.375937913e-01 4.30 -2.621637063e-01 -4.387213895e-01 -5.238523310e-01 4.32 -2.545608334e-01 -4.271887968e-01 -5.104365236e-01 4.34 -2.471712280e-01 -4.159403352e-01 -4.973401577e-01 4.36 -2.399893771e-01 -4.049701390e-01 -4.845570452e-01 4.38 -2.330098792e-01 -3.942723918e-01 -4.720810292e-01 4.40 -2.262274450e-01 -3.838413318e-01 -4.599059901e-01 4.42 -2.196368965e-01 -3.736712566e-01 -4.480258522e-01 4.44 -2.132331667e-01 -3.637565264e-01 -4.364345887e-01 4.46 -2.070112991e-01 -3.540915683e-01 -4.078475455e-01 4.48 -2.009664465e-01 -3.446708790e-01 -3.974690453e-01 4.50 -1.950938706e-01 -3.354890278e-01 -3.873371166e-01 4.52 -1.893889406e-01 -3.265406592e-01 -3.774468915e-01 4.54 -1.838471320e-01 -3.178204947e-01 -3.677935387e-01 4.56 -1.784640256e-01 -3.093233348e-01 -3.583722670e-01 4.58 -1.732353063e-01 -3.010440608e-01 -3.491783292e-01 4.60 -1.681567613e-01 -2.929776358e-01 -3.402070252e-01 4.62 -1.632242788e-01 -2.851191058e-01 -3.314537057e-01 4.64 -1.584338470e-01 -2.774636010e-01 -3.229137741e-01 4.66 -1.537815516e-01 -2.700063360e-01 -3.145826894e-01 4.68 -1.492635751e-01 -2.627426102e-01 -3.064559684e-01 4.70 -1.448761945e-01 -2.556678087e-01 -2.985291873e-01 4.72 -1.406157804e-01 -2.487774020e-01 -2.907979835e-01 4.74 -1.364787945e-01 -2.420669461e-01 -2.832580572e-01 4.76 -1.324617885e-01 -2.355320823e-01 -2.759051724e-01 4.78 -1.285614020e-01 -2.291685373e-01 -2.687351581e-01 4.80 -1.247743611e-01 -2.229721223e-01 -2.617439092e-01 4.82 -1.210974768e-01 -2.169387330e-01 -2.549273869e-01 4.84 -1.175276426e-01 -2.110643489e-01 -2.482816199e-01 4.86 -1.140618335e-01 -2.053450325e-01 -2.418027042e-01 4.88 -1.106971041e-01 -1.997769290e-01 -2.354868036e-01 4.90 -1.074305864e-01 -1.943562650e-01 -2.293301499e-01 4.92 -1.042594891e-01 -1.890793479e-01 -2.233290431e-01 4.94 -1.011810949e-01 -1.839425653e-01 -2.174798510e-01 4.96 -9.819275942e-02 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