# 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 = FeMn3 # 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 2.282823208e+02 nan nan 0.98 2.086640522e+02 nan nan 1.00 1.909135143e+02 nan nan 1.02 1.746546246e+02 nan nan 1.04 1.599426402e+02 nan nan 1.06 1.464033560e+02 nan nan 1.08 1.340328046e+02 1.991810621e+02 nan 1.10 1.227798180e+02 1.836957491e+02 2.082613445e+02 1.12 1.123418665e+02 1.692394145e+02 1.921884052e+02 1.14 1.029464698e+02 1.558874020e+02 1.776622102e+02 1.16 9.418592415e+01 1.437413975e+02 1.640056218e+02 1.18 8.624291236e+01 1.324955678e+02 1.514951915e+02 1.20 7.881883162e+01 1.224215647e+02 1.400296818e+02 1.22 7.218023502e+01 1.128460780e+02 1.295828433e+02 1.24 6.590815068e+01 1.039433034e+02 1.197223882e+02 1.26 6.032689660e+01 9.586161032e+01 1.106806408e+02 1.28 5.502296200e+01 8.836315017e+01 1.022801952e+02 1.30 5.027454275e+01 8.144166732e+01 9.443183942e+01 1.32 4.581154825e+01 7.494409459e+01 8.728836337e+01 1.34 4.167154376e+01 6.913968663e+01 8.053295384e+01 1.36 3.794544626e+01 6.356664862e+01 7.434555647e+01 1.38 3.450501067e+01 5.843098679e+01 6.868656257e+01 1.40 3.127107016e+01 5.366411144e+01 6.329814245e+01 1.42 2.836594741e+01 4.925427308e+01 5.837368941e+01 1.44 2.573176670e+01 4.536655588e+01 5.373786134e+01 1.46 2.322132800e+01 4.171278957e+01 4.963867894e+01 1.48 2.088960385e+01 3.818082313e+01 4.563073210e+01 1.50 1.874619404e+01 3.491186945e+01 4.199796278e+01 1.52 1.688470176e+01 3.195548036e+01 3.854132210e+01 1.54 1.509266660e+01 2.928193350e+01 3.547006641e+01 1.56 1.341573500e+01 2.666757853e+01 3.248111405e+01 1.58 1.189360777e+01 2.427158087e+01 2.974406375e+01 1.60 1.047805097e+01 2.202946509e+01 2.716808228e+01 1.62 9.294939429e+00 1.995439705e+01 2.477831942e+01 1.64 8.091786971e+00 1.803409482e+01 2.269607273e+01 1.66 6.988989366e+00 1.632410557e+01 2.062599031e+01 1.68 5.978761740e+00 1.474025317e+01 1.870613294e+01 1.70 5.053940064e+00 1.320733439e+01 1.692578652e+01 1.72 4.270387688e+00 1.179010027e+01 1.527504969e+01 1.74 3.548750097e+00 1.054839628e+01 1.374476580e+01 1.76 2.846893772e+00 9.331711322e+00 1.253022317e+01 1.78 2.191533219e+00 8.208113357e+00 1.119708156e+01 1.80 1.594420207e+00 7.170938465e+00 9.962560726e+00 1.82 1.075340673e+00 6.303777853e+00 8.892611011e+00 1.84 5.794007372e-01 5.413346688e+00 7.828607991e+00 1.86 1.611661161e-01 4.727363413e+00 6.844563226e+00 1.88 -1.894156800e-01 3.959961365e+00 5.934912993e+00 1.90 -5.404860635e-01 3.253957461e+00 5.166601143e+00 1.92 -8.820835859e-01 2.604972218e+00 4.384411289e+00 1.94 -1.189636827e+00 2.043855695e+00 3.662720937e+00 1.96 -1.465813248e+00 1.494051096e+00 2.997338001e+00 1.98 -1.713079674e+00 9.901687097e-01 2.384363841e+00 2.00 -1.933717832e+00 5.289301980e-01 1.891091753e+00 2.02 -2.129838607e+00 1.072887243e-01 1.366490998e+00 2.04 -2.303395122e+00 -2.775882256e-01 8.846283560e-01 2.06 -2.411208399e+00 -6.283346400e-01 4.425385040e-01 2.08 -2.529155350e+00 -9.474005192e-01 3.745946343e-02 2.10 -2.639129310e+00 -1.176520875e+00 -2.617915119e-01 2.12 -2.736278988e+00 -1.410618303e+00 -5.718484925e-01 2.14 -2.827150988e+00 -1.654634304e+00 -8.884507084e-01 2.16 -2.904031322e+00 -1.874642723e+00 -1.176725924e+00 2.18 -2.968091509e+00 -2.072396427e+00 -1.438664643e+00 2.20 -3.020415784e+00 -2.249527379e+00 -1.676123040e+00 2.22 -3.062007530e+00 -2.407555152e+00 -1.890832311e+00 2.24 -3.058864341e+00 -2.478033030e+00 -2.066941879e+00 2.26 -3.084280014e+00 -2.607148316e+00 -2.242175664e+00 2.28 -3.101356642e+00 -2.720743105e+00 -2.399093011e+00 2.30 -3.110843066e+00 -2.819988077e+00 -2.539012460e+00 2.32 -3.083613805e+00 -2.905973538e+00 -2.663164437e+00 2.34 -3.021868193e+00 -2.979714943e+00 -2.772697222e+00 2.36 -3.018741193e+00 -3.042158021e+00 -2.868682476e+00 2.38 -3.010059226e+00 -3.094183528e+00 -2.952120386e+00 2.40 -2.996358148e+00 -3.136611671e+00 -2.888843223e+00 2.42 -2.978133061e+00 -3.170206216e+00 -2.959272603e+00 2.44 -2.955841244e+00 -3.123418333e+00 -3.019128164e+00 2.46 -2.929904873e+00 -3.146312091e+00 -3.069212827e+00 2.48 -2.900713541e+00 -3.162033267e+00 -3.110275852e+00 2.50 -2.868626598e+00 -3.171177385e+00 -3.143016366e+00 2.52 -2.833975326e+00 -3.106017310e+00 -3.168086651e+00 2.54 -2.797064953e+00 -3.108133036e+00 -3.186095213e+00 2.56 -2.758176534e+00 -3.104925896e+00 -3.197609641e+00 2.58 -2.717568682e+00 -3.096861400e+00 -3.179362895e+00 2.60 -2.675479195e+00 -3.084372512e+00 -3.180966831e+00 2.62 -2.632126550e+00 -3.067861802e+00 -3.177462304e+00 2.64 -2.587711306e+00 -3.047703466e+00 -3.169284376e+00 2.66 -2.542417397e+00 -3.024245206e+00 -3.156838492e+00 2.68 -2.496413338e+00 -2.997809984e+00 -3.140502397e+00 2.70 -2.434499927e+00 -2.968697667e+00 -3.120627927e+00 2.72 -2.388477126e+00 -2.937186551e+00 -3.097542684e+00 2.74 -2.342109224e+00 -2.885881343e+00 -3.071551604e+00 2.76 -2.256607578e+00 -2.851397339e+00 -3.042938417e+00 2.78 -2.212230195e+00 -2.815169385e+00 -3.011967022e+00 2.80 -2.167700109e+00 -2.777406762e+00 -2.978882764e+00 2.82 -2.107200902e+00 -2.738303226e+00 -2.872205389e+00 2.84 -2.063596082e+00 -2.698038043e+00 -2.839778413e+00 2.86 -2.020053958e+00 -2.656776952e+00 -2.805628151e+00 2.88 -1.976651762e+00 -2.614673065e+00 -2.769951308e+00 2.90 -1.933459370e+00 -2.571867716e+00 -2.732930491e+00 2.92 -1.890539840e+00 -2.528491243e+00 -2.694735120e+00 2.94 -1.847949925e+00 -2.484663729e+00 -2.655522272e+00 2.96 -1.805740543e+00 -2.440495691e+00 -2.615437479e+00 2.98 -1.763957218e+00 -2.396088727e+00 -2.574615476e+00 3.00 -1.722640488e+00 -2.351536117e+00 -2.533180897e+00 3.02 -1.681826288e+00 -2.306923386e+00 -2.491248933e+00 3.04 -1.641546307e+00 -2.262328837e+00 -2.448925943e+00 3.06 -1.601828311e+00 -2.217824041e+00 -2.406310036e+00 3.08 -1.562696458e+00 -2.173474300e+00 -2.363491604e+00 3.10 -1.524171577e+00 -2.129339079e+00 -2.320553831e+00 3.12 -1.486271437e+00 -2.085472409e+00 -2.277573169e+00 3.14 -1.449010996e+00 -2.041923267e+00 -2.234619779e+00 3.16 -1.394562974e+00 -1.975291344e+00 -2.156078652e+00 3.18 -1.359556067e+00 -1.933742374e+00 -2.115245985e+00 3.20 -1.325169792e+00 -1.892565996e+00 -2.074518853e+00 3.22 -1.291412552e+00 -1.851797665e+00 -2.033951306e+00 3.24 -1.258290800e+00 -1.811469162e+00 -1.993592679e+00 3.26 -1.225809207e+00 -1.771608855e+00 -1.953487914e+00 3.28 -1.193970811e+00 -1.732241941e+00 -1.913677851e+00 3.30 -1.162777165e+00 -1.622963389e+00 -1.874199503e+00 3.32 -1.132228465e+00 -1.588208091e+00 -1.835086322e+00 3.34 -1.102323677e+00 -1.553825697e+00 -1.796368436e+00 3.36 -1.073060646e+00 -1.519839824e+00 -1.758072882e+00 3.38 -1.013364283e+00 -1.486271486e+00 -1.720223818e+00 3.40 -9.869212891e-01 -1.453139278e+00 -1.682842724e+00 3.42 -9.610311965e-01 -1.420459546e+00 -1.645948591e+00 3.44 -9.356921321e-01 -1.388246553e+00 -1.609558096e+00 3.46 -9.109013778e-01 -1.356512628e+00 -1.573685770e+00 3.48 -8.866554515e-01 -1.325268310e+00 -1.538344149e+00 3.50 -8.431187822e-01 -1.294522477e+00 -1.503543923e+00 3.52 -8.208892501e-01 -1.264282474e+00 -1.469294070e+00 3.54 -7.991458862e-01 -1.234554228e+00 -1.435601982e+00 3.56 -7.778849207e-01 -1.205342359e+00 -1.402473588e+00 3.58 -7.571020469e-01 -1.176650278e+00 -1.369913463e+00 3.60 -7.367924771e-01 -1.148480285e+00 -1.337924931e+00 3.62 -7.169509929e-01 -1.120833658e+00 -1.306510168e+00 3.64 -6.892257290e-01 -1.093710737e+00 -1.203860299e+00 3.66 -6.706786561e-01 -1.067110998e+00 -1.176887279e+00 3.68 -6.525650843e-01 -1.041033131e+00 -1.150338271e+00 3.70 -6.348792602e-01 -1.015475103e+00 -1.124218502e+00 3.72 -6.176151714e-01 -9.904342258e-01 -1.098532143e+00 3.74 -6.007665811e-01 -9.659072112e-01 -1.073282394e+00 3.76 -5.843270582e-01 -9.418902286e-01 -1.048471553e+00 3.78 -5.682900062e-01 -9.183789555e-01 -1.024101085e+00 3.80 -5.526486893e-01 -8.953686251e-01 -1.000171689e+00 3.82 -5.373962569e-01 -8.728540716e-01 -9.766833578e-01 3.84 -5.225257658e-01 -8.508297712e-01 -9.536354312e-01 3.86 -5.080302007e-01 -7.927983976e-01 -9.310266537e-01 3.88 -4.939024930e-01 -7.733132868e-01 -9.088552215e-01 3.90 -4.801355385e-01 -7.542322639e-01 -8.871188302e-01 3.92 -4.667222126e-01 -7.355516259e-01 -8.658147174e-01 3.94 -4.536553852e-01 -7.172673579e-01 -8.449397041e-01 3.96 -4.409279341e-01 -6.993751653e-01 -8.244902327e-01 3.98 -4.285327565e-01 -6.818705029e-01 -8.044624021e-01 4.00 -4.164627802e-01 -6.647486019e-01 -7.848520015e-01 4.02 -4.047109739e-01 -6.480044961e-01 -7.656545414e-01 4.04 -3.932703556e-01 -6.316330452e-01 -7.468652818e-01 4.06 -3.821340010e-01 -6.156289568e-01 -7.284792604e-01 4.08 -3.712950509e-01 -5.999868071e-01 -7.104913167e-01 4.10 -3.607467175e-01 -5.847010597e-01 -6.928961160e-01 4.12 -3.504822905e-01 -5.697660835e-01 -6.756881712e-01 4.14 -3.404951420e-01 -5.551761687e-01 -6.588618630e-01 4.16 -3.307787313e-01 -5.409255424e-01 -6.424114587e-01 4.18 -3.213266088e-01 -5.270083822e-01 -6.263311297e-01 4.20 -3.121324197e-01 -5.134188292e-01 -6.106149683e-01 4.22 -3.031899068e-01 -5.001510002e-01 -5.952570020e-01 4.24 -2.944929131e-01 -4.871989984e-01 -5.802512078e-01 4.26 -2.860353843e-01 -4.745569235e-01 -5.655915255e-01 4.28 -2.778113702e-01 -4.622188816e-01 -5.512718690e-01 4.30 -2.698150266e-01 -4.501789928e-01 -5.372861378e-01 4.32 -2.620406158e-01 -4.384313998e-01 -5.236282269e-01 4.34 -2.544825082e-01 -4.269702747e-01 -5.102920364e-01 4.36 -2.471351824e-01 -4.157898256e-01 -4.972714797e-01 4.38 -2.399932259e-01 -4.048843025e-01 -4.845604920e-01 4.40 -2.330513346e-01 -3.942480027e-01 -4.721530370e-01 4.42 -2.263043136e-01 -3.838752759e-01 -4.600431137e-01 4.44 -2.197470761e-01 -3.737605280e-01 -4.482247625e-01 4.46 -2.133746435e-01 -3.638982260e-01 -4.185456957e-01 4.48 -2.071821445e-01 -3.542829004e-01 -4.079737325e-01 4.50 -2.011648147e-01 -3.449091495e-01 -3.976503203e-01 4.52 -1.953179952e-01 -3.357716413e-01 -3.875706572e-01 4.54 -1.896371322e-01 -3.268651165e-01 -3.777299709e-01 4.56 -1.841177757e-01 -3.181843902e-01 -3.681235235e-01 4.58 -1.787555781e-01 -3.097243544e-01 -3.587466150e-01 4.60 -1.735462932e-01 -3.014799789e-01 -3.495945877e-01 4.62 -1.684857751e-01 -2.934463131e-01 -3.406628289e-01 4.64 -1.635699762e-01 -2.856184870e-01 -3.319467744e-01 4.66 -1.587949464e-01 -2.779917119e-01 -3.234419108e-01 4.68 -1.541568312e-01 -2.705612813e-01 -3.151437783e-01 4.70 -1.496518703e-01 -2.633225716e-01 -3.070479724e-01 4.72 -1.452763962e-01 -2.562710420e-01 -2.991501465e-01 4.74 -1.410268323e-01 -2.494022350e-01 -2.914460128e-01 4.76 -1.368996915e-01 -2.427117763e-01 -2.839313442e-01 4.78 -1.328915747e-01 -2.361953749e-01 -2.766019757e-01 4.80 -1.289991687e-01 -2.298488227e-01 -2.694538050e-01 4.82 -1.252192450e-01 -2.236679944e-01 -2.624827938e-01 4.84 -1.215486579e-01 -2.176488467e-01 -2.556849683e-01 4.86 -1.179843431e-01 -2.117874184e-01 -2.490564200e-01 4.88 -1.145233157e-01 -2.060798292e-01 -2.425933060e-01 4.90 -1.111626686e-01 -2.005222794e-01 -2.362918492e-01 4.92 -1.078995712e-01 -1.951110490e-01 -2.301483390e-01 4.94 -1.047312672e-01 -1.898424970e-01 -2.241591307e-01 4.96 -1.016550736e-01 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