# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCr3 # 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 2022-05-24 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 -3.814323462e+02 nan nan 0.96 -3.565768176e+02 nan nan 0.98 -3.339695564e+02 nan nan 1.00 -3.132614747e+02 nan nan 1.02 -2.942567288e+02 nan nan 1.04 -2.767890795e+02 -3.668603661e+02 nan 1.06 -2.605994517e+02 -3.457755862e+02 -3.780312726e+02 1.08 -2.454049893e+02 -3.262375828e+02 -3.564447215e+02 1.10 -2.309618338e+02 -3.079943315e+02 -3.358991887e+02 1.12 -2.172147273e+02 -2.906453834e+02 -3.164930771e+02 1.14 -2.042246938e+02 -2.740516037e+02 -2.983773501e+02 1.16 -1.921631033e+02 -2.582803760e+02 -2.815926799e+02 1.18 -1.810390227e+02 -2.434442048e+02 -2.660977947e+02 1.20 -1.707476694e+02 -2.298059159e+02 -2.519319314e+02 1.22 -1.609763829e+02 -2.173973091e+02 -2.390862305e+02 1.24 -1.514911140e+02 -2.059560146e+02 -2.272027861e+02 1.26 -1.421633124e+02 -1.952099089e+02 -2.159647437e+02 1.28 -1.330027152e+02 -1.851783660e+02 -2.051076246e+02 1.30 -1.240565470e+02 -1.756836987e+02 -1.945797832e+02 1.32 -1.153187318e+02 -1.665874302e+02 -1.844492953e+02 1.34 -1.067012939e+02 -1.577433509e+02 -1.746777003e+02 1.36 -9.828239555e+01 -1.491850974e+02 -1.653297899e+02 1.38 -9.013299053e+01 -1.409517100e+02 -1.564265765e+02 1.40 -8.218680893e+01 -1.331072652e+02 -1.479054373e+02 1.42 -7.446879173e+01 -1.254765227e+02 -1.397246117e+02 1.44 -6.704199432e+01 -1.179115107e+02 -1.318657858e+02 1.46 -6.002348164e+01 -1.103711009e+02 -1.243488596e+02 1.48 -5.331241008e+01 -1.027992481e+02 -1.171004894e+02 1.50 -4.685811877e+01 -9.525372814e+01 -1.100032238e+02 1.52 -4.064063821e+01 -8.779279207e+01 -1.028991467e+02 1.54 -3.472525668e+01 -8.044398625e+01 -9.571451140e+01 1.56 -2.919079421e+01 -7.319337591e+01 -8.854455321e+01 1.58 -2.406365075e+01 -6.600493004e+01 -8.145114713e+01 1.60 -1.930160289e+01 -5.884387118e+01 -7.451587805e+01 1.62 -1.481934076e+01 -5.173955717e+01 -6.775409703e+01 1.64 -1.054233747e+01 -4.482860744e+01 -6.115688500e+01 1.66 -7.003129112e+00 -3.828931288e+01 -5.472743947e+01 1.68 -4.519907208e+00 -3.217424538e+01 -4.854663066e+01 1.70 -2.903748550e+00 -2.650987085e+01 -4.256368472e+01 1.72 -1.933906905e+00 -2.129790517e+01 -3.681616397e+01 1.74 -1.417037987e+00 -1.655813644e+01 -3.133306053e+01 1.76 -1.207357417e+00 -1.229112389e+01 -2.612829668e+01 1.78 -1.193722244e+00 -8.586774551e+00 -2.123823127e+01 1.80 -1.303055665e+00 -5.852280815e+00 -1.666735583e+01 1.82 -1.482285828e+00 -3.939779949e+00 -1.242775974e+01 1.84 -1.695729678e+00 -2.640006731e+00 -8.623515771e+00 1.86 -1.921694565e+00 -1.801657456e+00 -5.732541797e+00 1.88 -2.149035864e+00 -1.309305850e+00 -3.742429169e+00 1.90 -2.369808172e+00 -1.067120926e+00 -2.430844036e+00 1.92 -2.578476046e+00 -9.982081962e-01 -1.607388320e+00 1.94 -2.772155517e+00 -1.047717022e+00 -1.130848906e+00 1.96 -2.940781504e+00 -1.178229743e+00 -8.981465449e-01 1.98 -3.092409523e+00 -1.362680828e+00 -8.356113936e-01 2.00 -3.225077599e+00 -1.577319575e+00 -8.865547546e-01 2.02 -3.342795311e+00 -1.805587043e+00 -1.010592533e+00 2.04 -3.452183553e+00 -2.043563335e+00 -1.189015604e+00 2.06 -3.555883454e+00 -2.281512701e+00 -1.401160945e+00 2.08 -3.654551242e+00 -2.514464337e+00 -1.634227996e+00 2.10 -3.747822535e+00 -2.738575445e+00 -1.877124485e+00 2.12 -3.834954076e+00 -2.950858867e+00 -2.120642668e+00 2.14 -3.907958795e+00 -3.137309691e+00 -2.354408190e+00 2.16 -3.975969660e+00 -3.309603914e+00 -2.578820659e+00 2.18 -4.035106875e+00 -3.461100943e+00 -2.792690691e+00 2.20 -4.080211873e+00 -3.590773932e+00 -2.994404660e+00 2.22 -4.116745280e+00 -3.699527836e+00 -3.183023351e+00 2.24 -4.133758615e+00 -3.791188078e+00 -3.360201207e+00 2.26 -4.143706648e+00 -3.869373795e+00 -3.526548780e+00 2.28 -4.142686110e+00 -3.936164184e+00 -3.659549736e+00 2.30 -4.131596065e+00 -3.993227069e+00 -3.786209485e+00 2.32 -4.111483768e+00 -4.042942595e+00 -3.895487976e+00 2.34 -4.083405481e+00 -4.074306031e+00 -3.986978019e+00 2.36 -4.048612324e+00 -4.106741463e+00 -4.061239776e+00 2.38 -4.008197110e+00 -4.135448612e+00 -4.119811045e+00 2.40 -3.962821880e+00 -4.147826384e+00 -4.164883381e+00 2.42 -3.912555633e+00 -4.160906702e+00 -4.198781534e+00 2.44 -3.857434634e+00 -4.167632199e+00 -4.223915153e+00 2.46 -3.797702822e+00 -4.168328412e+00 -4.238637782e+00 2.48 -3.733763309e+00 -4.163961974e+00 -4.248515886e+00 2.50 -3.666386020e+00 -4.155475007e+00 -4.252063381e+00 2.52 -3.596453879e+00 -4.142933491e+00 -4.248746981e+00 2.54 -3.524712366e+00 -4.125937608e+00 -4.237961064e+00 2.56 -3.450075630e+00 -4.104118708e+00 -4.219873502e+00 2.58 -3.375340701e+00 -4.077223684e+00 -4.195134636e+00 2.60 -3.300262342e+00 -4.043372503e+00 -4.164687110e+00 2.62 -3.221892265e+00 -4.005164022e+00 -4.129664992e+00 2.64 -3.145261853e+00 -3.961944841e+00 -4.091323700e+00 2.66 -3.068957351e+00 -3.914076168e+00 -4.051007158e+00 2.68 -2.992829793e+00 -3.861857212e+00 -4.010099473e+00 2.70 -2.913760337e+00 -3.805581070e+00 -3.957170667e+00 2.72 -2.835675767e+00 -3.745575985e+00 -3.910234033e+00 2.74 -2.756741426e+00 -3.682178435e+00 -3.862945402e+00 2.76 -2.676648882e+00 -3.615754540e+00 -3.815361136e+00 2.78 -2.595066874e+00 -3.546816957e+00 -3.767052492e+00 2.80 -2.511892663e+00 -3.476075122e+00 -3.717589563e+00 2.82 -2.427230295e+00 -3.404242019e+00 -3.666588121e+00 2.84 -2.341369258e+00 -3.331879299e+00 -3.613697167e+00 2.86 -2.254725206e+00 -3.259315489e+00 -3.558698065e+00 2.88 -2.167948359e+00 -3.186595138e+00 -3.501512251e+00 2.90 -2.081607346e+00 -3.113579927e+00 -3.442169648e+00 2.92 -1.996010650e+00 -3.040077021e+00 -3.380774998e+00 2.94 -1.911374422e+00 -2.965677810e+00 -3.317484339e+00 2.96 -1.827876728e+00 -2.890048411e+00 -3.252502822e+00 2.98 -1.745803643e+00 -2.813035107e+00 -3.186130806e+00 3.00 -1.664388084e+00 -2.733498447e+00 -3.116789198e+00 3.02 -1.584635517e+00 -2.651383638e+00 -3.044619303e+00 3.04 -1.507325371e+00 -2.568997326e+00 -2.972060523e+00 3.06 -1.432228857e+00 -2.485725604e+00 -2.897788994e+00 3.08 -1.359545557e+00 -2.401999173e+00 -2.821871781e+00 3.10 -1.289490904e+00 -2.318186969e+00 -2.744233549e+00 3.12 -1.222257084e+00 -2.234814135e+00 -2.664772817e+00 3.14 -1.157995221e+00 -2.145919875e+00 -2.583315261e+00 3.16 -1.096834762e+00 -2.061781620e+00 -2.499599162e+00 3.18 -1.038933458e+00 -1.979084836e+00 -2.413328766e+00 3.20 -9.844269192e-01 -1.898189106e+00 -2.324241529e+00 3.22 -9.281225426e-01 -1.819348289e+00 -2.232719961e+00 3.24 -8.776099644e-01 -1.742749832e+00 -2.139745908e+00 3.26 -8.298114263e-01 -1.668500525e+00 -2.046313776e+00 3.28 -7.846517789e-01 -1.596624576e+00 -1.953334093e+00 3.30 -7.420334867e-01 -1.527066315e+00 -1.861527504e+00 3.32 -7.018381204e-01 -1.459700138e+00 -1.771509841e+00 3.34 -6.628263663e-01 -1.394348860e+00 -1.683813569e+00 3.36 -6.263752897e-01 -1.330836733e+00 -1.598894329e+00 3.38 -5.916448548e-01 -1.269015256e+00 -1.517131280e+00 3.40 -5.584144056e-01 -1.208791926e+00 -1.438810819e+00 3.42 -5.264532480e-01 -1.150211646e+00 -1.364174302e+00 3.44 -4.955533785e-01 -1.093358121e+00 -1.293436296e+00 3.46 -4.655743036e-01 -1.038322398e+00 -1.226791197e+00 3.48 -4.373972417e-01 -9.851907136e-01 -1.156667705e+00 3.50 -4.096214750e-01 -9.340335040e-01 -1.094532646e+00 3.52 -3.827682503e-01 -8.848992150e-01 -1.035689404e+00 3.54 -3.568076797e-01 -8.378118712e-01 -9.801078695e-01 3.56 -3.317103257e-01 -7.927734870e-01 -9.277509828e-01 3.58 -3.074474395e-01 -7.497687732e-01 -8.785754582e-01 3.60 -2.839907707e-01 -7.087694378e-01 -8.325321632e-01 3.62 -2.613129359e-01 -6.697363480e-01 -7.895658327e-01 3.64 -2.393858131e-01 -6.326218767e-01 -7.496009370e-01 3.66 -2.181770176e-01 -5.973930621e-01 -7.125086545e-01 3.68 -1.976540126e-01 -5.617794110e-01 -6.781401362e-01 3.70 -1.777846405e-01 -5.290722190e-01 -6.463324922e-01 3.72 -1.585311305e-01 -4.978296843e-01 -6.169007059e-01 3.74 -1.398572120e-01 -4.679781586e-01 -5.896396535e-01 3.76 -1.221600622e-01 -4.394418602e-01 -5.643253238e-01 3.78 -1.063251816e-01 -4.121430576e-01 -5.407167618e-01 3.80 -9.307466921e-02 -3.860021385e-01 -5.185598016e-01 3.82 -8.292760731e-02 -3.609380127e-01 -4.975936641e-01 3.84 -7.621449428e-02 -3.368681264e-01 -4.775589381e-01 3.86 -7.309270136e-02 -3.137140155e-01 -4.582130689e-01 3.88 -7.356725867e-02 -2.914425300e-01 -4.393962749e-01 3.90 -7.749455869e-02 -2.700445804e-01 -4.210040440e-01 3.92 -8.457478710e-02 -2.495112230e-01 -4.029614843e-01 3.94 -9.439708439e-02 -2.298302096e-01 -3.852479927e-01 3.96 -1.064640740e-01 -2.109825861e-01 -3.678624549e-01 3.98 -1.202117261e-01 -1.929481775e-01 -3.508061938e-01 4.00 -1.350274667e-01 -1.757051429e-01 -3.340769604e-01 4.02 -1.502707536e-01 -1.593497843e-01 -3.176647385e-01 4.04 -1.652907183e-01 -1.443031081e-01 -3.015499230e-01 4.06 -1.794631806e-01 -1.309176197e-01 -2.857031345e-01 4.08 -1.922944858e-01 -1.194189983e-01 -2.700856423e-01 4.10 -2.033959519e-01 -1.099244765e-01 -2.546521438e-01 4.12 -2.124590686e-01 -1.024589706e-01 -2.393523022e-01 4.14 -2.192559926e-01 -9.695700907e-02 -2.241337288e-01 4.16 -2.236359160e-01 -9.326805177e-02 -2.089426952e-01 4.18 -2.255215440e-01 -9.118877854e-02 -1.937290497e-01 4.20 -2.249061788e-01 -9.048496005e-02 -1.787825306e-01 4.22 -2.218524604e-01 -9.094006310e-02 -1.648585714e-01 4.24 -2.164800652e-01 -9.227390826e-02 -1.526935693e-01 4.26 -2.089545501e-01 -9.401512784e-02 -1.404704970e-01 4.28 -1.994701670e-01 -9.571583471e-02 -1.316421437e-01 4.30 -1.882425005e-01 -9.700389179e-02 -1.251657910e-01 4.32 -1.755100502e-01 -9.758616963e-02 -1.211282218e-01 4.34 -1.615262522e-01 -9.724999881e-02 -1.195181505e-01 4.36 -1.465524042e-01 -9.586159535e-02 -1.202361528e-01 4.38 -1.308512865e-01 -9.336196787e-02 -1.231046738e-01 4.40 -1.146815067e-01 -8.976105588e-02 -1.278787017e-01 4.42 -9.829282993e-02 -8.512918163e-02 -1.342563880e-01 4.44 -8.192285697e-02 -7.958688366e-02 -1.418899529e-01 4.46 -6.579480000e-02 -7.329298480e-02 -1.503965965e-01 4.48 -5.011563489e-02 -6.643141595e-02 -1.593583427e-01 4.50 -3.507590809e-02 -5.919715382e-02 -1.682612059e-01 4.52 -2.085394535e-02 -5.177847187e-02 -1.765844650e-01 4.54 -7.636124514e-03 -4.430125092e-02 -1.838573943e-01 4.56 4.401072921e-03 -3.686409538e-02 -1.897271422e-01 4.58 1.510542358e-02 -2.954800953e-02 -1.939242542e-01 4.60 2.435379686e-02 -2.241362070e-02 -1.962470884e-01 4.62 3.205865291e-02 -1.550527891e-02 -1.965599271e-01 4.64 3.817448722e-02 -8.854822884e-03 -1.947907405e-01 4.66 4.270283108e-02 -2.484826682e-03 -1.909272545e-01 4.68 4.570729103e-02 3.589632177e-03 -1.850125995e-01 4.70 4.730830209e-02 9.360593585e-03 -1.771402766e-01 4.72 4.765603801e-02 1.482647200e-02 -1.674498224e-01 4.74 4.692403251e-02 1.999270356e-02 -1.561196335e-01 4.76 4.530148493e-02 2.487061602e-02 -1.433613131e-01 4.78 4.298666959e-02 2.949012494e-02 -1.293912070e-01 4.80 4.017583983e-02 3.388850505e-02 -1.144246280e-01 4.82 3.704850547e-02 3.807986204e-02 -9.869213296e-02 4.84 3.375752806e-02 4.206833856e-02 -8.243506518e-02 4.86 3.042230292e-02 4.584992654e-02 -6.590040464e-02 4.88 2.712554272e-02 4.941201157e-02 -4.933506259e-02 4.90 2.582673404e-02 5.273425727e-02 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