# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--LAMMPS--ipr1 # composition = CrNi3 # 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 5.707709510e+02 nan nan 0.92 5.262998336e+02 nan nan 0.94 4.851455945e+02 nan nan 0.96 4.470872593e+02 nan nan 0.98 4.119191986e+02 5.146335581e+02 nan 1.00 3.794482189e+02 4.782722155e+02 nan 1.02 3.494822591e+02 4.447183014e+02 6.407158336e+02 1.04 3.216895094e+02 4.133972240e+02 5.953972456e+02 1.06 2.962047761e+02 3.839457521e+02 5.527076569e+02 1.08 2.729473700e+02 3.562206639e+02 5.125206920e+02 1.10 2.515643572e+02 3.301134351e+02 4.747267191e+02 1.12 2.317936386e+02 3.055395415e+02 4.392271367e+02 1.14 2.134396625e+02 2.824304303e+02 4.059302159e+02 1.16 1.963557173e+02 2.607273501e+02 3.747477759e+02 1.18 1.804303326e+02 2.405215848e+02 3.458099174e+02 1.20 1.655769664e+02 2.218470042e+02 3.191570142e+02 1.22 1.517263029e+02 2.045269764e+02 2.945123061e+02 1.24 1.388205999e+02 1.884231452e+02 2.716565641e+02 1.26 1.268096304e+02 1.734266120e+02 2.504158202e+02 1.28 1.156478499e+02 1.594502073e+02 2.306503276e+02 1.30 1.052924910e+02 1.464225610e+02 2.122459268e+02 1.32 9.570234822e+01 1.342836079e+02 1.951073609e+02 1.34 8.683706770e+01 1.229812394e+02 1.791531721e+02 1.36 7.865679424e+01 1.124688555e+02 1.643118629e+02 1.38 7.112206359e+01 1.027036168e+02 1.505190567e+02 1.40 6.419385489e+01 9.364523607e+01 1.377154475e+02 1.42 5.783373851e+01 8.525517713e+01 1.258453583e+02 1.44 5.200407323e+01 7.749615724e+01 1.148557649e+02 1.46 4.666821898e+01 7.033187000e+01 1.046956690e+02 1.48 4.179074284e+01 6.372686356e+01 9.531572984e+01 1.50 3.733760398e+01 5.764652409e+01 8.666807920e+01 1.52 3.327630829e+01 5.205712616e+01 7.870626395e+01 1.54 2.957602866e+01 4.692592115e+01 7.138527000e+01 1.56 2.620769000e+01 4.222124268e+01 6.466159504e+01 1.58 2.314402066e+01 3.791261445e+01 5.849334524e+01 1.60 2.035957235e+01 3.397084973e+01 5.284033764e+01 1.62 1.783071265e+01 3.036813641e+01 4.766419617e+01 1.64 1.553559370e+01 2.707810381e+01 4.292843311e+01 1.66 1.345407754e+01 2.407586930e+01 3.859851074e+01 1.68 1.156759408e+01 2.133806500e+01 3.464188147e+01 1.70 9.859058090e+00 1.884284513e+01 3.102800545e+01 1.72 8.312811669e+00 1.656987493e+01 2.772834633e+01 1.74 6.914557407e+00 1.450028877e+01 2.471634754e+01 1.76 5.651284359e+00 1.261662313e+01 2.196739035e+01 1.78 4.511184283e+00 1.090275759e+01 1.945873686e+01 1.80 3.483510962e+00 9.343859065e+00 1.716946046e+01 1.82 2.558439362e+00 7.926323099e+00 1.508036636e+01 1.84 1.726986891e+00 6.637710292e+00 1.317390462e+01 1.86 9.809454636e-01 5.466679571e+00 1.143407812e+01 1.88 3.128180375e-01 4.402919464e+00 9.846346953e+00 1.90 -2.842403722e-01 3.437078991e+00 8.397531891e+00 1.92 -8.164774868e-01 2.560698875e+00 7.075717800e+00 1.94 -1.289594508e+00 1.766143969e+00 5.870158454e+00 1.96 -1.708792973e+00 1.046537758e+00 4.771184011e+00 1.98 -2.078818006e+00 3.956988669e-01 3.770111077e+00 2.00 -2.403998116e+00 -1.919329960e-01 2.859136513e+00 2.02 -2.688283909e+00 -7.213931869e-01 2.031198128e+00 2.04 -2.935298396e+00 -1.197297846e+00 1.279823492e+00 2.06 -3.148368754e+00 -1.623918177e+00 5.990266122e-01 2.08 -3.330547509e+00 -2.005321016e+00 -1.673196678e-02 2.10 -3.484646773e+00 -2.345428760e+00 -5.725782294e-01 2.12 -3.613257296e+00 -2.647835160e+00 -1.073255216e+00 2.14 -3.718898248e+00 -2.915817010e+00 -1.523151303e+00 2.16 -3.804475025e+00 -3.152363714e+00 -1.926326397e+00 2.18 -3.872710623e+00 -3.360203369e+00 -2.286536127e+00 2.20 -3.925970751e+00 -3.541826268e+00 -2.607254298e+00 2.22 -3.966308037e+00 -3.699508104e+00 -2.891693653e+00 2.24 -3.995501143e+00 -3.835329789e+00 -3.142825089e+00 2.26 -4.015089334e+00 -3.951195193e+00 -3.363395491e+00 2.28 -4.026402970e+00 -4.048847154e+00 -3.555944214e+00 2.30 -4.030590382e+00 -4.129881973e+00 -3.722818367e+00 2.32 -4.028641553e+00 -4.195762530e+00 -3.866186979e+00 2.34 -4.021408934e+00 -4.247830148e+00 -3.988054111e+00 2.36 -4.009625739e+00 -4.287315345e+00 -4.090271010e+00 2.38 -3.993921992e+00 -4.315353367e+00 -4.174556069e+00 2.40 -3.974838590e+00 -4.333180304e+00 -4.242786201e+00 2.42 -3.952839601e+00 -4.342132408e+00 -4.296993489e+00 2.44 -3.928323006e+00 -4.343392614e+00 -4.338983041e+00 2.46 -3.901630066e+00 -4.337993552e+00 -4.370335938e+00 2.48 -3.873053462e+00 -4.326835476e+00 -4.392434857e+00 2.50 -3.842844219e+00 -4.310701800e+00 -4.406486390e+00 2.52 -3.811214648e+00 -4.290264810e+00 -4.413529430e+00 2.54 -3.778344430e+00 -4.266100371e+00 -4.414456481e+00 2.56 -3.744388756e+00 -4.238708689e+00 -4.410043659e+00 2.58 -3.709482245e+00 -4.208524244e+00 -4.400965282e+00 2.60 -3.673742149e+00 -4.175924211e+00 -4.387806325e+00 2.62 -3.637271066e+00 -4.141235884e+00 -4.371073477e+00 2.64 -3.600159229e+00 -4.104743238e+00 -4.351204974e+00 2.66 -3.562486429e+00 -4.066692707e+00 -4.328579321e+00 2.68 -3.524323603e+00 -4.027298265e+00 -4.303523008e+00 2.70 -3.485734141e+00 -3.986745887e+00 -4.276317353e+00 2.72 -3.446774947e+00 -3.945197460e+00 -4.247204533e+00 2.74 -3.407497281e+00 -3.902794206e+00 -4.216392908e+00 2.76 -3.367947407e+00 -3.859659661e+00 -4.184061710e+00 2.78 -3.328167092e+00 -3.815902278e+00 -4.150365162e+00 2.80 -3.288193952e+00 -3.771617677e+00 -4.115436086e+00 2.82 -3.248061680e+00 -3.726890598e+00 -4.079389069e+00 2.84 -3.207800180e+00 -3.681796584e+00 -4.042323217e+00 2.86 -3.167435605e+00 -3.636403423e+00 -4.004324560e+00 2.88 -3.126990342e+00 -3.590772382e+00 -3.965468137e+00 2.90 -3.086482935e+00 -3.544959259e+00 -3.925819800e+00 2.92 -3.045927983e+00 -3.499015266e+00 -3.885437771e+00 2.94 -3.005336018e+00 -3.452987771e+00 -3.844373981e+00 2.96 -2.964713396e+00 -3.406920912e+00 -3.802675210e+00 2.98 -2.924062199e+00 -3.360856098e+00 -3.760384065e+00 3.00 -2.883380191e+00 -3.314832412e+00 -3.717539801e+00 3.02 -2.842660848e+00 -3.268886928e+00 -3.674179017e+00 3.04 -2.801893469e+00 -3.223054944e+00 -3.630336232e+00 3.06 -2.761063411e+00 -3.177370149e+00 -3.586044365e+00 3.08 -2.720152467e+00 -3.131864728e+00 -3.541335131e+00 3.10 -2.679139392e+00 -3.086569409e+00 -3.496239351e+00 3.12 -2.638000618e+00 -3.041513454e+00 -3.450787214e+00 3.14 -2.596711136e+00 -2.996724610e+00 -3.405008464e+00 3.16 -2.555245568e+00 -2.952229006e+00 -3.358932557e+00 3.18 -2.513579391e+00 -2.908051011e+00 -3.312588768e+00 3.20 -2.471690291e+00 -2.864213057e+00 -3.266006262e+00 3.22 -2.429559597e+00 -2.820735413e+00 -3.219214148e+00 3.24 -2.387173720e+00 -2.777635933e+00 -3.172241494e+00 3.26 -2.344525529e+00 -2.734929767e+00 -3.125117334e+00 3.28 -2.301615559e+00 -2.692629045e+00 -3.077870656e+00 3.30 -2.258452974e+00 -2.650742541e+00 -3.030530373e+00 3.32 -2.215056191e+00 -2.609275314e+00 -2.983125291e+00 3.34 -2.171453104e+00 -2.568228365e+00 -2.935684064e+00 3.36 -2.127680865e+00 -2.527598286e+00 -2.888235150e+00 3.38 -2.083785225e+00 -2.487376960e+00 -2.840806753e+00 3.40 -2.039819446e+00 -2.447551307e+00 -2.793426776e+00 3.42 -1.995842879e+00 -2.408103130e+00 -2.746122760e+00 3.44 -1.951919272e+00 -2.369009077e+00 -2.698921836e+00 3.46 -1.908114948e+00 -2.330240769e+00 -2.651850667e+00 3.48 -1.864496953e+00 -2.291765133e+00 -2.604934591e+00 3.50 -1.821131310e+00 -2.253544975e+00 -2.558179700e+00 3.52 -1.778081455e+00 -2.215539832e+00 -2.511566253e+00 3.54 -1.735406951e+00 -2.177707107e+00 -2.465204467e+00 3.56 -1.693162510e+00 -2.140003502e+00 -2.419167757e+00 3.58 -1.651397351e+00 -2.102386712e+00 -2.373408193e+00 3.60 -1.610154865e+00 -2.064817317e+00 -2.327947888e+00 3.62 -1.569472579e+00 -2.027260784e+00 -2.282808161e+00 3.64 -1.529382334e+00 -1.989689443e+00 -2.238009514e+00 3.66 -1.489910663e+00 -1.952084290e+00 -2.193571611e+00 3.68 -1.451079264e+00 -1.914436454e+00 -2.149513257e+00 3.70 -1.412905549e+00 -1.876748163e+00 -2.105852391e+00 3.72 -1.375403203e+00 -1.839033111e+00 -2.062606069e+00 3.74 -1.338582716e+00 -1.801316128e+00 -2.019790460e+00 3.76 -1.302451872e+00 -1.763632181e+00 -1.977420841e+00 3.78 -1.267016174e+00 -1.726024759e+00 -1.935511595e+00 3.80 -1.232279203e+00 -1.688543787e+00 -1.894076216e+00 3.82 -1.198242902e+00 -1.651243266e+00 -1.853127308e+00 3.84 -1.164907820e+00 -1.614178830e+00 -1.812676597e+00 3.86 -1.132273284e+00 -1.577405436e+00 -1.772734937e+00 3.88 -1.100337554e+00 -1.540975362e+00 -1.733312322e+00 3.90 -1.069097929e+00 -1.504936616e+00 -1.694417899e+00 3.92 -1.038550846e+00 -1.469331845e+00 -1.656059982e+00 3.94 -1.008691956e+00 -1.434197724e+00 -1.618246069e+00 3.96 -9.795161905e-01 -1.399564802e+00 -1.580982861e+00 3.98 -9.510178223e-01 -1.365457711e+00 -1.544276276e+00 4.00 -9.231905212e-01 -1.331895654e+00 -1.508131477e+00 4.02 -8.955760770e-01 -1.298893056e+00 -1.472552886e+00 4.04 -8.620308558e-01 -1.266460292e+00 -1.437544208e+00 4.06 -8.095086782e-01 -1.234604412e+00 -1.403108455e+00 4.08 -7.478758730e-01 -1.203329809e+00 -1.369247968e+00 4.10 -7.244019869e-01 -1.172638792e+00 -1.335964439e+00 4.12 -7.025166402e-01 -1.142532054e+00 -1.303258938e+00 4.14 -6.811953627e-01 -1.113009035e+00 -1.271131935e+00 4.16 -6.604290615e-01 -1.084068190e+00 -1.239583322e+00 4.18 -6.402084635e-01 -1.055707187e+00 -1.208612443e+00 4.20 -6.205241408e-01 -1.027923042e+00 -1.178218114e+00 4.22 -6.013665354e-01 -1.000712210e+00 -1.148398647e+00 4.24 -5.827259823e-01 -9.740706609e-01 -1.119151877e+00 4.26 -5.645927310e-01 -9.477744929e-01 -1.090475184e+00 4.28 -5.469569663e-01 -9.174653228e-01 -1.062365513e+00 4.30 -5.298088273e-01 -8.718165748e-01 -1.034819406e+00 4.32 -5.131384252e-01 -8.092473345e-01 -1.007833016e+00 4.34 -4.969358610e-01 -7.764364782e-01 -9.814021323e-01 4.36 -4.811912401e-01 -7.556920860e-01 -9.555222056e-01 4.38 -4.658946879e-01 -7.353980167e-01 -9.301883649e-01 4.40 -4.503112193e-01 -7.155494301e-01 -9.053954407e-01 4.42 -4.217076862e-01 -6.961412738e-01 -8.811379852e-01 4.44 -3.479636089e-01 -6.771683011e-01 -8.574102919e-01 4.46 -2.192455440e-01 -6.586250878e-01 -8.342064148e-01 4.48 -1.017446292e-01 -6.405060489e-01 -8.115201875e-01 4.50 -9.874059958e-02 -6.228054539e-01 -7.893452407e-01 4.52 -9.582341603e-02 -6.055174422e-01 -7.676750205e-01 4.54 -9.299057805e-02 -5.886360369e-01 -7.465028045e-01 4.56 -9.023966001e-02 -5.721551591e-01 -7.258217187e-01 4.58 -8.756830861e-02 -5.560686403e-01 -7.056247528e-01 4.60 -8.497424049e-02 -5.403702352e-01 -6.859047756e-01 4.62 -8.245523997e-02 -5.250536335e-01 -6.666545491e-01 4.64 -8.000915676e-02 -5.101124709e-01 -6.478667429e-01 4.66 -7.763390387e-02 -4.955403402e-01 -6.295339468e-01 4.68 -7.532745556e-02 -4.813308006e-01 -6.116486843e-01 4.70 -7.308784534e-02 -4.674773882e-01 -5.942034241e-01 4.72 -7.091316410e-02 -4.539736245e-01 -5.771905917e-01 4.74 -6.880155823e-02 -4.408130248e-01 -5.606025810e-01 4.76 -6.675122794e-02 -4.279891069e-01 -5.444317639e-01 4.78 -6.476042548e-02 -4.154953978e-01 -5.286705009e-01 4.80 -6.282745357e-02 -4.033254415e-01 -5.133111502e-01 4.82 -6.095066381e-02 -3.914728056e-01 -4.983460764e-01 4.84 -5.912845514e-02 -3.799310870e-01 -4.837676596e-01 4.86 -5.735927242e-02 -3.686939185e-01 -4.695683023e-01 4.88 -5.564160499e-02 -3.577549737e-01 -4.557404377e-01 4.90 -5.397398533e-02 -3.471079724e-01 -4.422765362e-01 4.92 -5.221329792e-02 -3.357940997e-01 -4.279327485e-01 4.94 -4.859943802e-02 -3.120009897e-01 -3.973883591e-01 4.96 -3.889689693e-02 -2.476590594e-01 -3.144190509e-01 4.98 -1.931815683e-02 -1.199437113e-01 -1.507084544e-01 5.00 -1.538773585e-23 -3.788489092e-23 -3.896215820e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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