# 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 = CrMn3 # 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 2.439456483e+02 nan nan 0.98 2.229417804e+02 nan nan 1.00 2.039241922e+02 nan nan 1.02 1.865228236e+02 nan nan 1.04 1.707620967e+02 nan nan 1.06 1.562791392e+02 nan nan 1.08 1.430363021e+02 2.127518196e+02 nan 1.10 1.310043585e+02 1.961494076e+02 2.224881021e+02 1.12 1.198581567e+02 1.806860859e+02 2.052938773e+02 1.14 1.098051192e+02 1.664170999e+02 1.897202401e+02 1.16 1.004589240e+02 1.534205918e+02 1.751218929e+02 1.18 9.196906840e+01 1.413983632e+02 1.617409261e+02 1.20 8.405740478e+01 1.305919115e+02 1.494682257e+02 1.22 7.695799141e+01 1.203632313e+02 1.382706545e+02 1.24 7.027982536e+01 1.108662524e+02 1.277334604e+02 1.26 6.430949767e+01 1.022287602e+02 1.180646962e+02 1.28 5.866738196e+01 9.422150334e+01 1.090887942e+02 1.30 5.360370343e+01 8.683032281e+01 1.007157190e+02 1.32 4.885299659e+01 7.990898423e+01 9.308015859e+01 1.34 4.445441966e+01 7.369975637e+01 8.588097054e+01 1.36 4.049148979e+01 6.776857380e+01 7.927835879e+01 1.38 3.682926514e+01 6.230145343e+01 7.323165065e+01 1.40 3.339706202e+01 5.723049837e+01 6.749548487e+01 1.42 3.030452154e+01 5.254033065e+01 6.224402945e+01 1.44 2.749432227e+01 4.837998253e+01 5.731198472e+01 1.46 2.482718334e+01 4.447706314e+01 5.292458120e+01 1.48 2.235766194e+01 4.072759577e+01 4.866500754e+01 1.50 2.008803349e+01 3.725802769e+01 4.479252913e+01 1.52 1.810071502e+01 3.411156266e+01 4.112153237e+01 1.54 1.620371027e+01 3.125793828e+01 3.784228762e+01 1.56 1.443067269e+01 2.848738936e+01 3.467098511e+01 1.58 1.281907556e+01 2.594531964e+01 3.176235287e+01 1.60 1.132313336e+01 2.357047775e+01 2.903075688e+01 1.62 1.005891558e+01 2.137299411e+01 2.649712669e+01 1.64 8.789112628e+00 1.933979634e+01 2.427207722e+01 1.66 7.625376424e+00 1.752083228e+01 2.207984971e+01 1.68 6.559451674e+00 1.583653550e+01 2.004709145e+01 1.70 5.583742576e+00 1.421588677e+01 1.816240030e+01 1.72 4.753716034e+00 1.271779606e+01 1.641523931e+01 1.74 3.982155206e+00 1.139581661e+01 1.479586434e+01 1.76 3.242164409e+00 1.011093740e+01 1.348422114e+01 1.78 2.552035214e+00 8.924533490e+00 1.207619316e+01 1.80 1.923239522e+00 7.829530836e+00 1.077252798e+01 1.82 1.373277300e+00 6.902691667e+00 9.632664211e+00 1.84 8.512243279e-01 5.963752239e+00 8.510201735e+00 1.86 4.092417419e-01 5.223366485e+00 7.472225522e+00 1.88 2.934679850e-02 4.415652757e+00 6.512836063e+00 1.90 -3.468818481e-01 3.672609671e+00 5.693488790e+00 1.92 -7.053239012e-01 2.989606236e+00 4.869396568e+00 1.94 -1.028123639e+00 2.394319412e+00 4.109106110e+00 1.96 -1.318086974e+00 1.816062086e+00 3.408179167e+00 1.98 -1.577807841e+00 1.286088218e+00 2.762488943e+00 2.00 -1.809684651e+00 8.009362369e-01 2.233161848e+00 2.02 -2.015935398e+00 3.573898193e-01 1.681281244e+00 2.04 -2.198611511e+00 -4.754032515e-02 1.174352177e+00 2.06 -2.314624223e+00 -4.166332132e-01 7.092420963e-01 2.08 -2.442453559e+00 -7.524730092e-01 2.830339832e-01 2.10 -2.558865470e+00 -1.001263883e+00 -4.084121278e-02 2.12 -2.661771073e+00 -1.251483823e+00 -3.707083499e-01 2.14 -2.757780295e+00 -1.507850861e+00 -7.031225030e-01 2.16 -2.839237156e+00 -1.739105845e+00 -1.005861505e+00 2.18 -2.907366303e+00 -1.947091197e+00 -1.281020638e+00 2.20 -2.963300605e+00 -2.133521648e+00 -1.530553165e+00 2.22 -3.008087951e+00 -2.299993254e+00 -1.756280245e+00 2.24 -3.010708270e+00 -2.384013230e+00 -1.943905465e+00 2.26 -3.038432100e+00 -2.519713214e+00 -2.128199723e+00 2.28 -3.057524370e+00 -2.639253278e+00 -2.293358310e+00 2.30 -3.068764473e+00 -2.743858785e+00 -2.440765759e+00 2.32 -3.043054777e+00 -2.834670484e+00 -2.571713597e+00 2.34 -2.990394089e+00 -2.912750343e+00 -2.687406661e+00 2.36 -2.987947460e+00 -2.979086970e+00 -2.788968957e+00 2.38 -2.979804960e+00 -3.034600637e+00 -2.877449104e+00 2.40 -2.966520427e+00 -3.080147952e+00 -2.828546950e+00 2.42 -2.948605218e+00 -3.116526198e+00 -2.902525407e+00 2.44 -2.926531289e+00 -3.077403473e+00 -2.965549045e+00 2.46 -2.900734045e+00 -3.102215242e+00 -3.018454822e+00 2.48 -2.871614986e+00 -3.119618884e+00 -3.062023379e+00 2.50 -2.839544159e+00 -3.130233265e+00 -3.096982766e+00 2.52 -2.804862442e+00 -3.071306968e+00 -3.124011907e+00 2.54 -2.767883650e+00 -3.074264722e+00 -3.143743840e+00 2.56 -2.728896504e+00 -3.071759759e+00 -3.156768729e+00 2.58 -2.688166446e+00 -3.064273442e+00 -3.141836040e+00 2.60 -2.645937338e+00 -3.052253191e+00 -3.144480827e+00 2.62 -2.602433028e+00 -3.036114756e+00 -3.141866722e+00 2.64 -2.557858809e+00 -3.016244327e+00 -3.134444657e+00 2.66 -2.512402776e+00 -2.993000514e+00 -3.122634625e+00 2.68 -2.466237086e+00 -2.966716186e+00 -3.106827689e+00 2.70 -2.404165699e+00 -2.937700190e+00 -3.087387869e+00 2.72 -2.357991317e+00 -2.906238958e+00 -3.064653903e+00 2.74 -2.311480577e+00 -2.856428178e+00 -3.038940893e+00 2.76 -2.230899210e+00 -2.821849204e+00 -3.010541841e+00 2.78 -2.186154717e+00 -2.785503194e+00 -2.979729087e+00 2.80 -2.141282647e+00 -2.747604662e+00 -2.946755659e+00 2.82 -2.080467273e+00 -2.708352047e+00 -2.845302401e+00 2.84 -2.036572579e+00 -2.667928792e+00 -2.812664778e+00 2.86 -1.992767148e+00 -2.626504349e+00 -2.778286032e+00 2.88 -1.949128326e+00 -2.584235122e+00 -2.742367620e+00 2.90 -1.905725943e+00 -2.541265347e+00 -2.705096401e+00 2.92 -1.862622884e+00 -2.497727912e+00 -2.666645590e+00 2.94 -1.819875609e+00 -2.453745128e+00 -2.627175639e+00 2.96 -1.777534645e+00 -2.409429447e+00 -2.586835072e+00 2.98 -1.735645035e+00 -2.364884130e+00 -2.545761262e+00 3.00 -1.694246766e+00 -2.320203882e+00 -2.504081160e+00 3.02 -1.653375154e+00 -2.275475430e+00 -2.461911979e+00 3.04 -1.613061218e+00 -2.230778080e+00 -2.419361834e+00 3.06 -1.573332010e+00 -2.186184224e+00 -2.376530338e+00 3.08 -1.534210937e+00 -2.141759820e+00 -2.333509170e+00 3.10 -1.495718051e+00 -2.097564844e+00 -2.290382596e+00 3.12 -1.457870321e+00 -2.053653707e+00 -2.247227964e+00 3.14 -1.420681888e+00 -2.010075642e+00 -2.204116166e+00 3.16 -1.367820935e+00 -1.945121917e+00 -2.128425348e+00 3.18 -1.332858546e+00 -1.903502978e+00 -2.087338589e+00 3.20 -1.298536468e+00 -1.862275252e+00 -2.046379407e+00 3.22 -1.264862183e+00 -1.821473993e+00 -2.005601878e+00 3.24 -1.231841229e+00 -1.781130715e+00 -1.965055271e+00 3.26 -1.199477375e+00 -1.741273461e+00 -1.924784375e+00 3.28 -1.167772769e+00 -1.701927059e+00 -1.884829801e+00 3.30 -1.136728090e+00 -1.597765784e+00 -1.845228270e+00 3.32 -1.106342675e+00 -1.562856024e+00 -1.806012880e+00 3.34 -1.076614651e+00 -1.528343271e+00 -1.767213358e+00 3.36 -1.047541044e+00 -1.494250374e+00 -1.728856295e+00 3.38 -9.880459688e-01 -1.460597565e+00 -1.690965366e+00 3.40 -9.618153480e-01 -1.427402646e+00 -1.653561535e+00 3.42 -9.361479616e-01 -1.394681164e+00 -1.616663251e+00 3.44 -9.110412063e-01 -1.362446582e+00 -1.580286630e+00 3.46 -8.864916577e-01 -1.330710427e+00 -1.544445618e+00 3.48 -8.624951510e-01 -1.299482439e+00 -1.509152159e+00 3.50 -8.217812758e-01 -1.268770704e+00 -1.474416337e+00 3.52 -7.997163925e-01 -1.238581782e+00 -1.440246517e+00 3.54 -7.781475617e-01 -1.208920826e+00 -1.406649476e+00 3.56 -7.570703156e-01 -1.179791690e+00 -1.373630524e+00 3.58 -7.364796755e-01 -1.151197034e+00 -1.341193618e+00 3.60 -7.163702070e-01 -1.123138422e+00 -1.309341470e+00 3.62 -6.967360706e-01 -1.095616410e+00 -1.278075642e+00 3.64 -6.712536098e-01 -1.068630629e+00 -1.180746680e+00 3.66 -6.528511093e-01 -1.042179868e+00 -1.153754074e+00 3.68 -6.348902599e-01 -1.016262144e+00 -1.127202881e+00 3.70 -6.173647053e-01 -9.908747709e-01 -1.101097550e+00 3.72 -6.002678553e-01 -9.660144232e-01 -1.075441492e+00 3.74 -5.835929192e-01 -9.416771963e-01 -1.050237161e+00 3.76 -5.673329357e-01 -9.178586608e-01 -1.025486124e+00 3.78 -5.514808011e-01 -8.945539144e-01 -1.001189135e+00 3.80 -5.360292952e-01 -8.717576300e-01 -9.773461984e-01 3.82 -5.209711045e-01 -8.494640998e-01 -9.539566274e-01 3.84 -5.062988445e-01 -8.276672771e-01 -9.310191046e-01 3.86 -4.920050792e-01 -7.729169053e-01 -9.085317337e-01 3.88 -4.780823394e-01 -7.535636587e-01 -8.864920891e-01 3.90 -4.645231396e-01 -7.346229991e-01 -8.648972631e-01 3.92 -4.513199930e-01 -7.160906750e-01 -8.437439092e-01 3.94 -4.384654256e-01 -6.979621427e-01 -8.230282826e-01 3.96 -4.259519883e-01 -6.802325980e-01 -8.027462788e-01 3.98 -4.137722690e-01 -6.628970050e-01 -7.828934682e-01 4.00 -4.019189026e-01 -6.459501234e-01 -7.634651300e-01 4.02 -3.903845803e-01 -6.293865334e-01 -7.444562823e-01 4.04 -3.791620582e-01 -6.132006593e-01 -7.258617114e-01 4.06 -3.682441647e-01 -5.973867908e-01 -7.076759981e-01 4.08 -3.576238072e-01 -5.819391036e-01 -6.898935428e-01 4.10 -3.472939782e-01 -5.668516775e-01 -6.725085886e-01 4.12 -3.372477608e-01 -5.521185139e-01 -6.555152428e-01 4.14 -3.274783328e-01 -5.377335516e-01 -6.389074967e-01 4.16 -3.179789713e-01 -5.236906817e-01 -6.226792444e-01 4.18 -3.087430560e-01 -5.099837610e-01 -6.068242997e-01 4.20 -2.997640722e-01 -4.966066243e-01 -5.913364121e-01 4.22 -2.910356134e-01 -4.835530965e-01 -5.762092816e-01 4.24 -2.825513837e-01 -4.708170025e-01 -5.614365719e-01 4.26 -2.743051990e-01 -4.583921774e-01 -5.470119235e-01 4.28 -2.662909888e-01 -4.462724751e-01 -5.329289647e-01 4.30 -2.585027973e-01 -4.344517766e-01 -5.191813225e-01 4.32 -2.509347835e-01 -4.229239970e-01 -5.057626326e-01 4.34 -2.435812228e-01 -4.116830930e-01 -4.926665478e-01 4.36 -2.364365059e-01 -4.007230682e-01 -4.798867468e-01 4.38 -2.294951400e-01 -3.900379791e-01 -4.674169411e-01 4.40 -2.227517477e-01 -3.796219402e-01 -4.552508825e-01 4.42 -2.162010668e-01 -3.694691279e-01 -4.433823688e-01 4.44 -2.098379501e-01 -3.595737853e-01 -4.318052500e-01 4.46 -2.036573642e-01 -3.499302253e-01 -4.038841302e-01 4.48 -1.976543886e-01 -3.405328338e-01 -3.935062561e-01 4.50 -1.918242149e-01 -3.313760726e-01 -3.833775571e-01 4.52 -1.861621457e-01 -3.224544821e-01 -3.734930469e-01 4.54 -1.806635932e-01 -3.137626829e-01 -3.638477784e-01 4.56 -1.753240777e-01 -3.052953780e-01 -3.544368474e-01 4.58 -1.701392267e-01 -2.970473543e-01 -3.452553968e-01 4.60 -1.651047728e-01 -2.890134838e-01 -3.362986196e-01 4.62 -1.602165527e-01 -2.811887249e-01 -3.275617624e-01 4.64 -1.554705052e-01 -2.735681226e-01 -3.190401276e-01 4.66 -1.508626699e-01 -2.661468099e-01 -3.107290761e-01 4.68 -1.463891852e-01 -2.589200077e-01 -3.026240295e-01 4.70 -1.420462868e-01 -2.518830252e-01 -2.947204718e-01 4.72 -1.378303057e-01 -2.450312602e-01 -2.870139512e-01 4.74 -1.337376670e-01 -2.383601986e-01 -2.795000813e-01 4.76 -1.297648874e-01 -2.318654147e-01 -2.721745428e-01 4.78 -1.259085739e-01 -2.255425706e-01 -2.650330837e-01 4.80 -1.221654218e-01 -2.193874158e-01 -2.580715210e-01 4.82 -1.185322132e-01 -2.133957867e-01 -2.512857408e-01 4.84 -1.150058146e-01 -2.075636062e-01 -2.446716990e-01 4.86 -1.115831757e-01 -2.018868827e-01 -2.382254217e-01 4.88 -1.082613275e-01 -1.963617092e-01 -2.319430053e-01 4.90 -1.050373803e-01 -1.909842630e-01 -2.258206170e-01 4.92 -1.019085219e-01 -1.857508043e-01 -2.198544942e-01 4.94 -9.887201633e-02 -1.806576754e-01 -2.140409448e-01 4.96 -9.592520158e-02 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