# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = AlMn3 # 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 1.268601729e+03 nan nan 0.92 1.150233918e+03 nan nan 0.94 1.042179684e+03 nan nan 0.96 9.436488697e+02 nan nan 0.98 8.538884117e+02 1.230393443e+03 nan 1.00 7.721904931e+02 1.123214843e+03 nan 1.02 6.978949209e+02 1.024726438e+03 1.232945126e+03 1.04 6.303883993e+02 9.343246314e+02 1.133415571e+03 1.06 5.691023156e+02 8.514240564e+02 1.041471278e+03 1.08 5.135099578e+02 7.754660281e+02 9.566004273e+02 1.10 4.631236627e+02 7.059226575e+02 8.783158984e+02 1.12 4.174921237e+02 6.422983097e+02 8.061536643e+02 1.14 3.761979472e+02 5.841295110e+02 7.396737310e+02 1.16 3.388554595e+02 5.309839978e+02 6.784646223e+02 1.18 3.051087324e+02 4.824593336e+02 6.221415021e+02 1.20 2.746297832e+02 4.381813492e+02 5.703443441e+02 1.22 2.471169035e+02 3.978025452e+02 5.227362610e+02 1.24 2.222932005e+02 3.610005332e+02 4.790020210e+02 1.26 2.005277593e+02 3.274765436e+02 4.388467457e+02 1.28 1.831158574e+02 2.969540128e+02 4.019947664e+02 1.30 1.681614070e+02 2.691772487e+02 3.681886071e+02 1.32 1.544448427e+02 2.439096084e+02 3.371880657e+02 1.34 1.414051895e+02 2.213253987e+02 3.087693636e+02 1.36 1.288494371e+02 2.015422624e+02 2.827243447e+02 1.38 1.167716867e+02 1.837717056e+02 2.588597034e+02 1.40 1.052451077e+02 1.675276746e+02 2.369962342e+02 1.42 9.436105320e+01 1.525320967e+02 2.169680914e+02 1.44 8.419789163e+01 1.386297715e+02 1.986220584e+02 1.46 7.480786581e+01 1.257337991e+02 1.818168229e+02 1.48 6.621430389e+01 1.137917387e+02 1.664222620e+02 1.50 5.841427059e+01 1.027655749e+02 1.523187419e+02 1.52 5.138382683e+01 9.262116383e+01 1.393971929e+02 1.54 4.518352084e+01 8.358896317e+01 1.279575502e+02 1.56 4.008120122e+01 7.647525333e+01 1.191778396e+02 1.58 3.576677042e+01 7.055591054e+01 1.119549782e+02 1.60 3.198922515e+01 6.526642658e+01 1.054373428e+02 1.62 2.859327880e+01 6.029381642e+01 9.916015855e+01 1.64 2.548632340e+01 5.548496543e+01 9.290552108e+01 1.66 2.261553973e+01 5.078379582e+01 8.660582999e+01 1.68 1.995228057e+01 4.618912060e+01 8.027862305e+01 1.70 1.748174151e+01 4.172712555e+01 7.398375863e+01 1.72 1.519631273e+01 3.743409637e+01 6.779635077e+01 1.74 1.309145080e+01 3.334616502e+01 6.179056985e+01 1.76 1.116326293e+01 2.949376596e+01 5.603078633e+01 1.78 9.407217605e+00 2.589917606e+01 5.056754892e+01 1.80 7.817480465e+00 2.257593286e+01 4.543655419e+01 1.82 6.386698244e+00 1.952935905e+01 4.065941852e+01 1.84 5.106183478e+00 1.675769211e+01 3.624542123e+01 1.86 3.966229151e+00 1.425342570e+01 3.219361656e+01 1.88 2.956448963e+00 1.200468233e+01 2.849502370e+01 1.90 2.066127672e+00 9.996497622e+00 2.513472842e+01 1.92 1.284532215e+00 8.211913294e+00 2.209373876e+01 1.94 6.011679800e-01 6.632916374e+00 1.935054243e+01 1.96 5.976589412e-03 5.241199336e+00 1.688236186e+01 1.98 -5.105215264e-01 4.018745195e+00 1.466612816e+01 2.00 -9.571339980e-01 2.948333838e+00 1.267920539e+01 2.02 -1.341944786e+00 2.013817265e+00 1.089990357e+01 2.04 -1.672311445e+00 1.200193956e+00 9.307820414e+00 2.06 -1.954786611e+00 4.937122230e-01 7.884057373e+00 2.08 -2.195016236e+00 -1.181042556e-01 6.611304734e+00 2.10 -2.398004333e+00 -6.464780542e-01 5.473850710e+00 2.12 -2.568184972e+00 -1.101427140e+00 4.457544551e+00 2.14 -2.709467411e+00 -1.491836580e+00 3.549721807e+00 2.16 -2.825283389e+00 -1.825547697e+00 2.739105864e+00 2.18 -2.918636573e+00 -2.109464443e+00 2.015687841e+00 2.20 -2.992163741e+00 -2.349672679e+00 1.370548266e+00 2.22 -3.048187234e+00 -2.551553180e+00 7.957038180e-01 2.24 -3.088751857e+00 -2.719861498e+00 2.840076851e-01 2.26 -3.115656701e+00 -2.858797659e+00 -1.709372493e-01 2.28 -3.130482997e+00 -2.972067875e+00 -5.748554912e-01 2.30 -3.134618496e+00 -3.062890806e+00 -9.327949292e-01 2.32 -3.129278821e+00 -3.134003118e+00 -1.249123707e+00 2.34 -3.115526169e+00 -3.187812718e+00 -1.527750457e+00 2.36 -3.094285739e+00 -3.226449257e+00 -1.772192140e+00 2.38 -3.066360268e+00 -3.251794842e+00 -1.985613803e+00 2.40 -3.032443007e+00 -3.265511398e+00 -2.170864780e+00 2.42 -2.993129524e+00 -3.269065086e+00 -2.330511851e+00 2.44 -2.948928708e+00 -3.263748135e+00 -2.466869744e+00 2.46 -2.900273334e+00 -3.250698361e+00 -2.582029306e+00 2.48 -2.847530736e+00 -3.230917067e+00 -2.677884221e+00 2.50 -2.791017665e+00 -3.205295533e+00 -2.756171492e+00 2.52 -2.731010482e+00 -3.174626065e+00 -2.818489434e+00 2.54 -2.667751757e+00 -3.139600195e+00 -2.866296869e+00 2.56 -2.601462769e+00 -3.100819731e+00 -2.900931776e+00 2.58 -2.532356541e+00 -3.058807064e+00 -2.923628681e+00 2.60 -2.460650672e+00 -3.014014117e+00 -2.935533537e+00 2.62 -2.386579320e+00 -2.966830108e+00 -2.937716024e+00 2.64 -2.310403579e+00 -2.917588309e+00 -2.931179260e+00 2.66 -2.232419388e+00 -2.866571945e+00 -2.916866998e+00 2.68 -2.152962167e+00 -2.814019419e+00 -2.895668519e+00 2.70 -2.072407524e+00 -2.760129016e+00 -2.868421474e+00 2.72 -1.991167688e+00 -2.705063241e+00 -2.835913104e+00 2.74 -1.909683718e+00 -2.648952946e+00 -2.798880246e+00 2.76 -1.828413995e+00 -2.591901406e+00 -2.758008614e+00 2.78 -1.747819971e+00 -2.533988475e+00 -2.713931799e+00 2.80 -1.668350470e+00 -2.475274968e+00 -2.667230378e+00 2.82 -1.590426025e+00 -2.415807355e+00 -2.618431440e+00 2.84 -1.514424153e+00 -2.355622824e+00 -2.568008722e+00 2.86 -1.440637686e+00 -2.294754700e+00 -2.516383470e+00 2.88 -1.369250496e+00 -2.233238129e+00 -2.463926004e+00 2.90 -1.300679521e+00 -2.171115834e+00 -2.410957948e+00 2.92 -1.234976430e+00 -2.108443668e+00 -2.357755000e+00 2.94 -1.172176727e+00 -2.045295620e+00 -2.304550121e+00 2.96 -1.112290880e+00 -1.981767839e+00 -2.251537034e+00 2.98 -1.055280336e+00 -1.917981277e+00 -2.198873929e+00 3.00 -1.001066432e+00 -1.854082575e+00 -2.146687303e+00 3.02 -9.495395997e-01 -1.790242540e+00 -2.095075885e+00 3.04 -9.005682643e-01 -1.726648664e+00 -2.044114619e+00 3.06 -8.540069946e-01 -1.663507401e+00 -1.993858675e+00 3.08 -8.097036114e-01 -1.601057599e+00 -1.944347447e+00 3.10 -7.675051194e-01 -1.539505845e+00 -1.895608494e+00 3.12 -7.272624280e-01 -1.479064533e+00 -1.847661318e+00 3.14 -6.888339092e-01 -1.419931574e+00 -1.800520884e+00 3.16 -6.520878907e-01 -1.362283157e+00 -1.754200717e+00 3.18 -6.169042105e-01 -1.306268285e+00 -1.708715429e+00 3.20 -5.831749693e-01 -1.252005141e+00 -1.664082518e+00 3.22 -5.508046196e-01 -1.199579397e+00 -1.620323324e+00 3.24 -5.197095247e-01 -1.149044376e+00 -1.577463090e+00 3.26 -4.898171161e-01 -1.100422833e+00 -1.535530156e+00 3.28 -4.610647678e-01 -1.053709986e+00 -1.494554422e+00 3.30 -4.333985004e-01 -1.008877414e+00 -1.454565281e+00 3.32 -4.067716151e-01 -9.658774132e-01 -1.415589321e+00 3.34 -3.811433453e-01 -9.246474780e-01 -1.377648078e+00 3.36 -3.564775976e-01 -8.851145943e-01 -1.340756139e+00 3.38 -3.327418342e-01 -8.471991534e-01 -1.304919799e+00 3.40 -3.099061301e-01 -8.108183406e-01 -1.270136408e+00 3.42 -2.879424177e-01 -7.758889296e-01 -1.236394419e+00 3.44 -2.668239168e-01 -7.423294692e-01 -1.203674073e+00 3.46 -2.465247322e-01 -7.100618898e-01 -1.171948577e+00 3.48 -2.270195936e-01 -6.790125875e-01 -1.141174585e+00 3.50 -2.082837086e-01 -6.491130585e-01 -1.111043357e+00 3.52 -1.902926960e-01 -6.203001697e-01 -1.080857320e+00 3.54 -1.730225734e-01 -5.925161463e-01 -1.051765117e+00 3.56 -1.564497744e-01 -5.657083553e-01 -1.024497865e+00 3.58 -1.405511778e-01 -5.398289549e-01 -9.980011898e-01 3.60 -1.253041381e-01 -5.148344656e-01 -9.722391451e-01 3.62 -1.106865100e-01 -4.906853102e-01 -9.471781879e-01 3.64 -9.667666586e-02 -4.673453576e-01 -9.227873672e-01 3.66 -8.325350649e-02 -4.447814919e-01 -8.990383507e-01 3.68 -7.039646776e-02 -4.229632239e-01 -8.759053373e-01 3.70 -5.808552553e-02 -4.018623524e-01 -8.533648975e-01 3.72 -4.630120109e-02 -3.814526767e-01 -8.313957777e-01 3.74 -3.502456871e-02 -3.617097596e-01 -8.099786946e-01 3.76 -2.423726563e-02 -3.426107373e-01 -7.890961412e-01 3.78 -1.392150448e-02 -3.241341694e-01 -7.687322131e-01 3.80 -4.060087255e-03 -3.062599237e-01 -7.488724632e-01 3.82 5.363580335e-03 -2.889690875e-01 -7.295037840e-01 3.84 1.436547558e-02 -2.722439003e-01 -7.106143140e-01 3.86 2.296094828e-02 -2.560676988e-01 -6.921933619e-01 3.88 3.116471463e-02 -2.404248689e-01 -6.742313405e-01 3.90 3.899085707e-02 -2.253007976e-01 -6.567197018e-01 3.92 4.645283140e-02 -2.106818207e-01 -6.396508648e-01 3.94 5.356348201e-02 -1.965551594e-01 -6.230181303e-01 3.96 6.033506566e-02 -1.829088465e-01 -6.068155776e-01 3.98 6.677928351e-02 -1.697316376e-01 -5.910379408e-01 4.00 7.290732033e-02 -1.570129105e-01 -5.756804678e-01 4.02 7.884335595e-02 -1.447425551e-01 -5.607387638e-01 4.04 8.607864031e-02 -1.329108566e-01 -5.462086272e-01 4.06 9.742870219e-02 -1.215083790e-01 -5.320858850e-01 4.08 1.099752998e-01 -1.105258532e-01 -5.183662359e-01 4.10 1.140018429e-01 -9.995407613e-02 -5.050451101e-01 4.12 1.176126487e-01 -8.978382441e-02 -4.921175522e-01 4.14 1.210180635e-01 -8.000578763e-02 -4.795781319e-01 4.16 1.242251977e-01 -7.061052167e-02 -4.674208866e-01 4.18 1.272409031e-01 -6.158842342e-02 -4.556392949e-01 4.20 1.300718303e-01 -5.292972562e-02 -4.442262810e-01 4.22 1.327244686e-01 -4.462450933e-02 -4.331742451e-01 4.24 1.352051712e-01 -3.666273117e-02 -4.224751154e-01 4.26 1.375201682e-01 -2.909570552e-02 -4.121204165e-01 4.28 1.396755705e-01 -2.312994589e-02 -4.021013476e-01 4.30 1.416773687e-01 -1.990191663e-02 -3.924088658e-01 4.32 1.435314263e-01 -2.815114818e-03 -3.830337675e-01 4.34 1.452434730e-01 1.838239552e-02 -3.739667667e-01 4.36 1.468190963e-01 2.343028769e-02 -3.651985647e-01 4.38 1.482637348e-01 2.825330780e-02 -3.567199101e-01 4.40 1.491191088e-01 3.285896380e-02 -3.485216490e-01 4.42 1.408857675e-01 3.725461245e-02 -3.405947644e-01 4.44 -1.919679029e-01 4.144744260e-02 -3.329304061e-01 4.46 -1.120383315e-01 4.544446403e-02 -3.255199119e-01 4.48 -1.617876904e-02 4.925250065e-02 -3.183548224e-01 4.50 -1.543403559e-02 5.287818717e-02 -3.114268899e-01 4.52 -1.472226614e-02 5.632796848e-02 -3.047280829e-01 4.54 -1.404207369e-02 5.960810068e-02 -2.982505885e-01 4.56 -1.339212527e-02 6.272465349e-02 -2.919868116e-01 4.58 -1.277114034e-02 6.568351334e-02 -2.859293737e-01 4.60 -1.217788909e-02 6.849038697e-02 -2.800711105e-01 4.62 -1.161119064e-02 7.115080524e-02 -2.744050683e-01 4.64 -1.106991134e-02 7.367012712e-02 -2.689245013e-01 4.66 -1.055296302e-02 7.605354371e-02 -2.636228676e-01 4.68 -1.005930132e-02 7.830608228e-02 -2.584938254e-01 4.70 -9.587924114e-03 8.043261031e-02 -2.535312291e-01 4.72 -9.137869872e-03 8.243783946e-02 -2.487291254e-01 4.74 -8.708216192e-03 8.432632957e-02 -2.440817492e-01 4.76 -8.298078313e-03 8.610249261e-02 -2.395835192e-01 4.78 -7.906607698e-03 8.777059652e-02 -2.352290342e-01 4.80 -7.532990663e-03 8.933476911e-02 -2.310130687e-01 4.82 -7.176447051e-03 9.079900181e-02 -2.269305683e-01 4.84 -6.836228949e-03 9.216715342e-02 -2.229766463e-01 4.86 -6.511619459e-03 9.344295382e-02 -2.191465788e-01 4.88 -6.201931497e-03 9.463000756e-02 -2.154358009e-01 4.90 -5.906506644e-03 9.573179742e-02 -2.118399026e-01 4.92 -5.606984713e-03 9.644184508e-02 -2.083377916e-01 4.94 -5.088909764e-03 9.274809316e-02 -2.044998649e-01 4.96 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