# 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 = CrFe3 # 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 2.636831667e+02 nan nan 0.98 2.408622971e+02 nan nan 1.00 2.202235487e+02 nan nan 1.02 2.013158795e+02 nan nan 1.04 1.842200542e+02 nan nan 1.06 1.684879450e+02 nan nan 1.08 1.540708270e+02 2.298235966e+02 nan 1.10 1.410378931e+02 2.118380663e+02 2.404067096e+02 1.12 1.289025899e+02 1.950176528e+02 2.216933604e+02 1.14 1.180060398e+02 1.794780047e+02 2.048219777e+02 1.16 1.078410409e+02 1.653649124e+02 1.889247131e+02 1.18 9.862029990e+01 1.522914102e+02 1.743759012e+02 1.20 8.999330471e+01 1.406249951e+02 1.610543378e+02 1.22 8.230076085e+01 1.294962510e+02 1.489408977e+02 1.24 7.501711618e+01 1.191434438e+02 1.374790878e+02 1.26 6.854682074e+01 1.097673793e+02 1.269837201e+02 1.28 6.239560561e+01 1.010658365e+02 1.172284398e+02 1.30 5.692402060e+01 9.303611597e+01 1.081065057e+02 1.32 5.174472430e+01 8.548767408e+01 9.982389081e+01 1.34 4.694587415e+01 7.877605175e+01 9.197348543e+01 1.36 4.266239564e+01 7.230423764e+01 8.479480082e+01 1.38 3.868648532e+01 6.634541339e+01 7.824321924e+01 1.40 3.494109343e+01 6.081498518e+01 7.198641523e+01 1.42 3.158828385e+01 5.570141931e+01 6.628001870e+01 1.44 2.854846451e+01 5.122386393e+01 6.090125791e+01 1.46 2.563690060e+01 4.700785277e+01 5.617637072e+01 1.48 2.294457242e+01 4.291427635e+01 5.152781022e+01 1.50 2.047198459e+01 3.912790315e+01 4.732788613e+01 1.52 1.833433696e+01 3.571600183e+01 4.332213610e+01 1.54 1.628307814e+01 3.264232095e+01 3.978492227e+01 1.56 1.435265042e+01 2.961735546e+01 3.632341935e+01 1.58 1.260502343e+01 2.685035962e+01 3.316053162e+01 1.60 1.097920355e+01 2.425980546e+01 3.018086704e+01 1.62 9.643588004e+00 2.186425475e+01 2.741860410e+01 1.64 8.263483867e+00 1.964930911e+01 2.503376765e+01 1.66 7.000433293e+00 1.768893961e+01 2.264280020e+01 1.68 5.845305448e+00 1.587476891e+01 2.042721159e+01 1.70 4.789700046e+00 1.410995249e+01 1.837443905e+01 1.72 3.924061208e+00 1.248009984e+01 1.647287601e+01 1.74 3.098588688e+00 1.106351280e+01 1.471179171e+01 1.76 2.307017825e+00 9.666743993e+00 1.334706932e+01 1.78 1.562954661e+00 8.378517417e+00 1.181330023e+01 1.80 8.867657145e-01 7.191021707e+00 1.039464464e+01 1.82 3.045260713e-01 6.214080098e+00 9.177071618e+00 1.84 -2.541380016e-01 5.196459530e+00 7.956572809e+00 1.86 -7.094504687e-01 4.435819591e+00 6.829355920e+00 1.88 -1.104400410e+00 3.559971647e+00 5.788893164e+00 1.90 -1.505488097e+00 2.755736005e+00 4.923157730e+00 1.92 -1.884601531e+00 2.017970743e+00 4.030423664e+00 1.94 -2.224231346e+00 1.386998925e+00 3.208210663e+00 1.96 -2.527503643e+00 7.644126382e-01 2.451600410e+00 1.98 -2.797308426e+00 1.953007444e-01 1.756020059e+00 2.00 -3.036317941e+00 -3.241837525e-01 1.208804494e+00 2.02 -3.247003487e+00 -7.976152301e-01 6.153571934e-01 2.04 -3.431650856e+00 -1.228315734e+00 7.165173911e-02 2.06 -3.521587212e+00 -1.619373629e+00 -4.257901454e-01 2.08 -3.644755674e+00 -1.973660762e+00 -8.802073645e-01 2.10 -3.752784640e+00 -2.214897659e+00 -1.201965342e+00 2.12 -3.847490580e+00 -2.466524482e+00 -1.541445349e+00 2.14 -3.938688771e+00 -2.734790087e+00 -1.894199434e+00 2.16 -4.013760657e+00 -2.975209424e+00 -2.214034513e+00 2.18 -4.074081143e+00 -3.189838840e+00 -2.503286822e+00 2.20 -4.120922166e+00 -3.380592263e+00 -2.764134323e+00 2.22 -4.155460298e+00 -3.549251263e+00 -2.998607744e+00 2.24 -4.133668962e+00 -3.607244715e+00 -3.186043398e+00 2.26 -4.150086887e+00 -3.743181355e+00 -3.374973625e+00 2.28 -4.156986163e+00 -3.861181852e+00 -3.542716590e+00 2.30 -4.155244486e+00 -3.962619599e+00 -3.690817755e+00 2.32 -4.098746426e+00 -4.048773254e+00 -3.820718846e+00 2.34 -4.019679561e+00 -4.120833262e+00 -3.933764883e+00 2.36 -4.004365959e+00 -4.179907910e+00 -4.031210714e+00 2.38 -3.982760865e+00 -4.227028943e+00 -4.114227082e+00 2.40 -3.955492756e+00 -4.263156784e+00 -4.007658422e+00 2.42 -3.923141926e+00 -4.289185386e+00 -4.077139604e+00 2.44 -3.886243954e+00 -4.211719482e+00 -4.134422949e+00 2.46 -3.845292926e+00 -4.226315017e+00 -4.180451808e+00 2.48 -3.800744427e+00 -4.232714692e+00 -4.216106156e+00 2.50 -3.753018310e+00 -4.231616683e+00 -4.242206765e+00 2.52 -3.702501274e+00 -4.134599291e+00 -4.259519098e+00 2.54 -3.649549255e+00 -4.126244887e+00 -4.268756938e+00 2.56 -3.594489645e+00 -4.111827029e+00 -4.270585773e+00 2.58 -3.537623353e+00 -4.091892473e+00 -4.234896080e+00 2.60 -3.479226725e+00 -4.066949473e+00 -4.225683635e+00 2.62 -3.419553318e+00 -4.037470342e+00 -4.210675133e+00 2.64 -3.358835560e+00 -4.003893843e+00 -4.190380251e+00 2.66 -3.297286280e+00 -3.966627416e+00 -4.165273704e+00 2.68 -3.235100139e+00 -3.926049259e+00 -4.135797517e+00 2.70 -3.148311043e+00 -3.882510269e+00 -4.102363142e+00 2.72 -3.086827842e+00 -3.836335862e+00 -4.065353444e+00 2.74 -3.025107813e+00 -3.765028981e+00 -4.025124550e+00 2.76 -2.920857034e+00 -3.715838488e+00 -3.982007581e+00 2.78 -2.861644987e+00 -3.664770035e+00 -3.936310275e+00 2.80 -2.802421977e+00 -3.612067862e+00 -3.888318501e+00 2.82 -2.718297568e+00 -3.557957865e+00 -3.744785320e+00 2.84 -2.660824980e+00 -3.502648823e+00 -3.698444868e+00 2.86 -2.603568190e+00 -3.446333538e+00 -3.650232186e+00 2.88 -2.546615876e+00 -3.389189904e+00 -3.600377306e+00 2.90 -2.490048012e+00 -3.331381911e+00 -3.549093587e+00 2.92 -2.433936526e+00 -3.273060572e+00 -3.496578787e+00 2.94 -2.378345894e+00 -3.214364804e+00 -3.443016071e+00 2.96 -2.323333710e+00 -3.155422241e+00 -3.388574958e+00 2.98 -2.268951205e+00 -3.096350001e+00 -3.333412201e+00 3.00 -2.215243732e+00 -3.037255398e+00 -3.277672621e+00 3.02 -2.162251226e+00 -2.978236613e+00 -3.221489881e+00 3.04 -2.110008617e+00 -2.919383318e+00 -3.164987217e+00 3.06 -2.058546230e+00 -2.860777262e+00 -3.108278118e+00 3.08 -2.007890142e+00 -2.802492819e+00 -3.051466969e+00 3.10 -1.958062529e+00 -2.744597495e+00 -2.994649651e+00 3.12 -1.909081975e+00 -2.687152412e+00 -2.937914099e+00 3.14 -1.860963769e+00 -2.630212753e+00 -2.881340836e+00 3.16 -1.790682568e+00 -2.543251118e+00 -2.778928246e+00 3.18 -1.745528678e+00 -2.489069079e+00 -2.725305095e+00 3.20 -1.701203000e+00 -2.435442740e+00 -2.671920387e+00 3.22 -1.657713427e+00 -2.382411784e+00 -2.618836128e+00 3.24 -1.615065575e+00 -2.330011575e+00 -2.566108758e+00 3.26 -1.573262972e+00 -2.278273467e+00 -2.513789525e+00 3.28 -1.532307249e+00 -2.227225089e+00 -2.461924836e+00 3.30 -1.492198304e+00 -2.085038220e+00 -2.410556586e+00 3.32 -1.452934460e+00 -2.040053943e+00 -2.359722468e+00 3.34 -1.414512613e+00 -1.995591614e+00 -2.309456257e+00 3.36 -1.376928363e+00 -1.951677982e+00 -2.259788089e+00 3.38 -1.291329539e+00 -1.908336709e+00 -2.210744709e+00 3.40 -1.257771657e+00 -1.865588587e+00 -2.162349712e+00 3.42 -1.224917256e+00 -1.823451742e+00 -2.114623766e+00 3.44 -1.192763402e+00 -1.781941830e+00 -2.067584823e+00 3.46 -1.161306151e+00 -1.741072218e+00 -2.021248311e+00 3.48 -1.130540648e+00 -1.700854153e+00 -1.975627323e+00 3.50 -1.078827663e+00 -1.661296917e+00 -1.930732786e+00 3.52 -1.050467742e+00 -1.622407982e+00 -1.886573624e+00 3.54 -1.022730602e+00 -1.584193146e+00 -1.843156907e+00 3.56 -9.956109376e-01 -1.546656660e+00 -1.800487995e+00 3.58 -9.691028078e-01 -1.509801356e+00 -1.758570669e+00 3.60 -9.431997037e-01 -1.473628754e+00 -1.717407254e+00 3.62 -9.178946094e-01 -1.438139176e+00 -1.676998735e+00 3.64 -8.868626001e-01 -1.403331836e+00 -1.543700680e+00 3.66 -8.630306100e-01 -1.369204942e+00 -1.509066222e+00 3.68 -8.397589054e-01 -1.335755776e+00 -1.474989088e+00 3.70 -8.170396398e-01 -1.302980780e+00 -1.441474628e+00 3.72 -7.948646750e-01 -1.270875628e+00 -1.408526946e+00 3.74 -7.732256208e-01 -1.239435296e+00 -1.376148989e+00 3.76 -7.521138721e-01 -1.208654133e+00 -1.344342640e+00 3.78 -7.315206429e-01 -1.178525916e+00 -1.313108793e+00 3.80 -7.114369977e-01 -1.149043910e+00 -1.282447437e+00 3.82 -6.918538805e-01 -1.120200922e+00 -1.252357725e+00 3.84 -6.727621414e-01 -1.091989349e+00 -1.222838043e+00 3.86 -6.541525607e-01 -1.017283908e+00 -1.193886072e+00 3.88 -6.360158719e-01 -9.923338451e-01 -1.165498850e+00 3.90 -6.183427818e-01 -9.679038622e-01 -1.137672825e+00 3.92 -6.011239894e-01 -9.439888141e-01 -1.110403909e+00 3.94 -5.843502031e-01 -9.205831926e-01 -1.083687525e+00 3.96 -5.680121565e-01 -8.976811636e-01 -1.057518657e+00 3.98 -5.521006221e-01 -8.752766030e-01 -1.031891885e+00 4.00 -5.366064248e-01 -8.533631292e-01 -1.006801432e+00 4.02 -5.215204534e-01 -8.319341336e-01 -9.822411961e-01 4.04 -5.068336709e-01 -8.109828089e-01 -9.582047893e-01 4.06 -4.925371244e-01 -7.905021761e-01 -9.346855660e-01 4.08 -4.786219534e-01 -7.704851081e-01 -9.116766555e-01 4.10 -4.650793972e-01 -7.509243534e-01 -8.891709890e-01 4.12 -4.519008022e-01 -7.318125566e-01 -8.671613260e-01 4.14 -4.390776274e-01 -7.131422780e-01 -8.456402786e-01 4.16 -4.266014499e-01 -6.949060119e-01 -8.246003339e-01 4.18 -4.144639695e-01 -6.770962034e-01 -8.040338751e-01 4.20 -4.026570126e-01 -6.597052635e-01 -7.839332005e-01 4.22 -3.911725354e-01 -6.427255836e-01 -7.642905420e-01 4.24 -3.800026272e-01 -6.261495486e-01 -7.450980814e-01 4.26 -3.691395125e-01 -6.099695488e-01 -7.263479660e-01 4.28 -3.585755531e-01 -5.941779912e-01 -7.080323227e-01 4.30 -3.483032494e-01 -5.787673097e-01 -6.901432710e-01 4.32 -3.383152417e-01 -5.637299741e-01 -6.726729354e-01 4.34 -3.286043111e-01 -5.490584987e-01 -6.556134564e-01 4.36 -3.191633796e-01 -5.347454502e-01 -6.389570004e-01 4.38 -3.099855110e-01 -5.207834546e-01 -6.226957695e-01 4.40 -3.010639098e-01 -5.071652035e-01 -6.068220098e-01 4.42 -2.923919219e-01 -4.938834601e-01 -5.913280193e-01 4.44 -2.839630333e-01 -4.809310641e-01 -5.762061550e-01 4.46 -2.757708699e-01 -4.683009363e-01 -5.380176713e-01 4.48 -2.678091961e-01 -4.559860831e-01 -5.244911574e-01 4.50 -2.600719140e-01 -4.439795999e-01 -5.112818020e-01 4.52 -2.525530623e-01 -4.322746745e-01 -4.983834521e-01 4.54 -2.452468144e-01 -4.208645896e-01 -4.857899972e-01 4.56 -2.381474775e-01 -4.097427259e-01 -4.734953742e-01 4.58 -2.312494905e-01 -3.989025635e-01 -4.614935727e-01 4.60 -2.245474227e-01 -3.883376843e-01 -4.497786389e-01 4.62 -2.180359718e-01 -3.780417731e-01 -4.383446798e-01 4.64 -2.117099621e-01 -3.680086189e-01 -4.271858668e-01 4.66 -2.055643427e-01 -3.582321162e-01 -4.162964387e-01 4.68 -1.995941852e-01 -3.487062651e-01 -4.056707046e-01 4.70 -1.937946824e-01 -3.394251724e-01 -3.953030465e-01 4.72 -1.881611452e-01 -3.303830517e-01 -3.851879216e-01 4.74 -1.826890015e-01 -3.215742232e-01 -3.753198638e-01 4.76 -1.773737937e-01 -3.129931142e-01 -3.656934861e-01 4.78 -1.722111763e-01 -3.046342585e-01 -3.563034814e-01 4.80 -1.671969144e-01 -2.964922962e-01 -3.471446239e-01 4.82 -1.623268809e-01 -2.885619732e-01 -3.382117704e-01 4.84 -1.575970549e-01 -2.808381405e-01 -3.294998608e-01 4.86 -1.530035190e-01 -2.733157536e-01 -3.210039187e-01 4.88 -1.485424578e-01 -2.659898715e-01 -3.127190521e-01 4.90 -1.442101552e-01 -2.588556562e-01 -3.046404535e-01 4.92 -1.400029926e-01 -2.519083713e-01 -2.967634002e-01 4.94 -1.359174466e-01 -2.451433808e-01 -2.890832544e-01 4.96 -1.319500871e-01 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