# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--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 -4.390637720e+02 nan nan 0.92 -4.089859925e+02 nan nan 0.94 -3.814380723e+02 nan nan 0.96 -3.565773304e+02 nan nan 0.98 -3.340117261e+02 nan nan 1.00 -3.132775728e+02 nan nan 1.02 -2.942551018e+02 -3.894123978e+02 -4.253205479e+02 1.04 -2.768015692e+02 -3.668829278e+02 -4.008115230e+02 1.06 -2.606113002e+02 -3.457891723e+02 -3.780401151e+02 1.08 -2.454050087e+02 -3.262465066e+02 -3.564447252e+02 1.10 -2.309712670e+02 -3.080012232e+02 -3.359017072e+02 1.12 -2.172142703e+02 -2.906536521e+02 -3.165000817e+02 1.14 -2.042303991e+02 -2.740837683e+02 -2.983873416e+02 1.16 -1.921631110e+02 -2.582926774e+02 -2.815952703e+02 1.18 -1.810510373e+02 -2.434508307e+02 -2.661023241e+02 1.20 -1.707475764e+02 -2.298226476e+02 -2.519505330e+02 1.22 -1.609852797e+02 -2.174119780e+02 -2.390897975e+02 1.24 -1.515028344e+02 -2.059591615e+02 -2.272112933e+02 1.26 -1.421632071e+02 -1.952364239e+02 -2.159670005e+02 1.28 -1.330004072e+02 -1.851789658e+02 -2.051083128e+02 1.30 -1.240686001e+02 -1.756836986e+02 -1.945903024e+02 1.32 -1.153205805e+02 -1.665879783e+02 -1.844511551e+02 1.34 -1.067149887e+02 -1.577549866e+02 -1.746906561e+02 1.36 -9.830703633e+01 -1.491865183e+02 -1.653381600e+02 1.38 -9.013298984e+01 -1.409667608e+02 -1.564268928e+02 1.40 -8.218670811e+01 -1.331072868e+02 -1.479113671e+02 1.42 -7.447045854e+01 -1.254787449e+02 -1.397249965e+02 1.44 -6.706440546e+01 -1.179286040e+02 -1.318726960e+02 1.46 -6.002350385e+01 -1.103711296e+02 -1.243489053e+02 1.48 -5.331313456e+01 -1.028002379e+02 -1.171019749e+02 1.50 -4.685731399e+01 -9.525610856e+01 -1.100057937e+02 1.52 -4.063963196e+01 -8.779280112e+01 -1.029008164e+02 1.54 -3.472525751e+01 -8.044522092e+01 -9.572654270e+01 1.56 -2.919079335e+01 -7.320213468e+01 -8.854455381e+01 1.58 -2.406365117e+01 -6.601312059e+01 -8.145114734e+01 1.60 -1.930101808e+01 -5.884397843e+01 -7.451587900e+01 1.62 -1.481721435e+01 -5.174218612e+01 -6.775431990e+01 1.64 -1.055632123e+01 -4.484050247e+01 -6.116257872e+01 1.66 -7.001152540e+00 -3.828931317e+01 -5.475345502e+01 1.68 -4.519908801e+00 -3.217425262e+01 -4.854663821e+01 1.70 -2.903824618e+00 -2.651099218e+01 -4.256485308e+01 1.72 -1.933869735e+00 -2.130564005e+01 -3.682312857e+01 1.74 -1.416562193e+00 -1.656601111e+01 -3.133306029e+01 1.76 -1.205073739e+00 -1.229112376e+01 -2.612835231e+01 1.78 -1.193108275e+00 -8.586775310e+00 -2.123967512e+01 1.80 -1.303226311e+00 -5.852478183e+00 -1.667401337e+01 1.82 -1.482285799e+00 -3.940508073e+00 -1.242775937e+01 1.84 -1.695729703e+00 -2.640006430e+00 -8.623520828e+00 1.86 -1.921694581e+00 -1.801657295e+00 -5.732978066e+00 1.88 -2.149035888e+00 -1.309305300e+00 -3.744156520e+00 1.90 -2.369703087e+00 -1.067120809e+00 -2.430843860e+00 1.92 -2.577386125e+00 -9.982082004e-01 -1.607388680e+00 1.94 -2.768053822e+00 -1.047713540e+00 -1.130846467e+00 1.96 -2.940024382e+00 -1.177822358e+00 -8.978092637e-01 1.98 -3.091643583e+00 -1.360203553e+00 -8.332976329e-01 2.00 -3.224435755e+00 -1.574414870e+00 -8.834297254e-01 2.02 -3.342795294e+00 -1.805586957e+00 -1.010592621e+00 2.04 -3.452183532e+00 -2.043563220e+00 -1.189015721e+00 2.06 -3.555877561e+00 -2.281503909e+00 -1.401159153e+00 2.08 -3.654301771e+00 -2.514090233e+00 -1.634149612e+00 2.10 -3.746561973e+00 -2.736687202e+00 -1.876703624e+00 2.12 -3.831353284e+00 -2.945466395e+00 -2.119386747e+00 2.14 -3.907873514e+00 -3.137309809e+00 -2.354408255e+00 2.16 -3.975324418e+00 -3.309603859e+00 -2.578820772e+00 2.18 -4.032727485e+00 -3.461101001e+00 -2.792690778e+00 2.20 -4.078722366e+00 -3.590773890e+00 -2.994396324e+00 2.22 -4.112255974e+00 -3.699527827e+00 -3.182412490e+00 2.24 -4.133758618e+00 -3.791188107e+00 -3.356763415e+00 2.26 -4.143706646e+00 -3.869343321e+00 -3.516186810e+00 2.28 -4.142686106e+00 -3.935595118e+00 -3.659549721e+00 2.30 -4.131596069e+00 -3.990766024e+00 -3.786209486e+00 2.32 -4.111483767e+00 -4.036306044e+00 -3.895487986e+00 2.34 -4.083405474e+00 -4.073685902e+00 -3.986978018e+00 2.36 -4.048612324e+00 -4.104203336e+00 -4.061239770e+00 2.38 -4.008197109e+00 -4.128829045e+00 -4.119805177e+00 2.40 -3.962821877e+00 -4.147826382e+00 -4.164740320e+00 2.42 -3.912555630e+00 -4.160906701e+00 -4.198126065e+00 2.44 -3.857434635e+00 -4.167632198e+00 -4.222117718e+00 2.46 -3.797702827e+00 -4.168328410e+00 -4.238637784e+00 2.48 -3.733762871e+00 -4.163961977e+00 -4.248515887e+00 2.50 -3.666337119e+00 -4.155475007e+00 -4.252063384e+00 2.52 -3.596172516e+00 -4.142932453e+00 -4.248746979e+00 2.54 -3.523866063e+00 -4.125876690e+00 -4.237961065e+00 2.56 -3.449961628e+00 -4.103798774e+00 -4.219873507e+00 2.58 -3.374747759e+00 -4.076303308e+00 -4.195134632e+00 2.60 -3.298566796e+00 -4.043372499e+00 -4.164686094e+00 2.62 -3.221853473e+00 -4.005164026e+00 -4.129498120e+00 2.64 -3.145028886e+00 -3.961944845e+00 -4.090326349e+00 2.66 -3.068246599e+00 -3.914076156e+00 -4.047979994e+00 2.68 -2.991228336e+00 -3.861857222e+00 -4.003317425e+00 2.70 -2.913760352e+00 -3.805581095e+00 -3.957170671e+00 2.72 -2.835675741e+00 -3.745575986e+00 -3.910234016e+00 2.74 -2.756741425e+00 -3.682178429e+00 -3.862945413e+00 2.76 -2.676648875e+00 -3.615754559e+00 -3.815361128e+00 2.78 -2.595066855e+00 -3.546816972e+00 -3.767052482e+00 2.80 -2.511892692e+00 -3.476075132e+00 -3.717589553e+00 2.82 -2.427230273e+00 -3.404242010e+00 -3.666588104e+00 2.84 -2.341369251e+00 -3.331879290e+00 -3.613697164e+00 2.86 -2.254725198e+00 -3.259315502e+00 -3.558698069e+00 2.88 -2.167948319e+00 -3.186595142e+00 -3.501512248e+00 2.90 -2.081607342e+00 -3.113579909e+00 -3.442169628e+00 2.92 -1.996000170e+00 -3.040062413e+00 -3.380753379e+00 2.94 -1.911278041e+00 -2.965543315e+00 -3.317283675e+00 2.96 -1.827539972e+00 -2.889577174e+00 -3.251792934e+00 2.98 -1.744998378e+00 -2.811905831e+00 -3.184409258e+00 3.00 -1.663940692e+00 -2.732458101e+00 -3.115374040e+00 3.02 -1.584635549e+00 -2.651383652e+00 -3.044619306e+00 3.04 -1.507325338e+00 -2.568992877e+00 -2.972060510e+00 3.06 -1.432228891e+00 -2.485583258e+00 -2.897788980e+00 3.08 -1.359545585e+00 -2.401330979e+00 -2.821871807e+00 3.10 -1.289490915e+00 -2.316369434e+00 -2.744233551e+00 3.12 -1.222238817e+00 -2.231007715e+00 -2.664772826e+00 3.14 -1.157819631e+00 -2.145919898e+00 -2.583315262e+00 3.16 -1.096206276e+00 -2.061781594e+00 -2.499599157e+00 3.18 -1.037400060e+00 -1.979084844e+00 -2.413328738e+00 3.20 -9.813804192e-01 -1.898189135e+00 -2.324241547e+00 3.22 -9.281225265e-01 -1.819348248e+00 -2.232719951e+00 3.24 -8.776047421e-01 -1.742749843e+00 -2.139745854e+00 3.26 -8.297713096e-01 -1.668500560e+00 -2.046313694e+00 3.28 -7.845170154e-01 -1.596624569e+00 -1.953334111e+00 3.30 -7.417129377e-01 -1.527066278e+00 -1.861527525e+00 3.32 -7.012075285e-01 -1.459700100e+00 -1.771509876e+00 3.34 -6.628263995e-01 -1.394348886e+00 -1.683813654e+00 3.36 -6.263755320e-01 -1.330836784e+00 -1.598891507e+00 3.38 -5.916532624e-01 -1.269015234e+00 -1.517041526e+00 3.40 -5.584571480e-01 -1.208791895e+00 -1.438382708e+00 3.42 -5.265793493e-01 -1.150211641e+00 -1.362984816e+00 3.44 -4.958386875e-01 -1.093358111e+00 -1.290889449e+00 3.46 -4.661260821e-01 -1.038322446e+00 -1.222116308e+00 3.48 -4.373972314e-01 -9.851907327e-01 -1.156667734e+00 3.50 -4.096214557e-01 -9.340335545e-01 -1.094532674e+00 3.52 -3.827682476e-01 -8.848991816e-01 -1.035689392e+00 3.54 -3.568076614e-01 -8.378118304e-01 -9.801078588e-01 3.56 -3.317103509e-01 -7.927732345e-01 -9.277509473e-01 3.58 -3.074474066e-01 -7.497463265e-01 -8.785754353e-01 3.60 -2.839907476e-01 -7.086481741e-01 -8.325321528e-01 3.62 -2.613129430e-01 -6.693873596e-01 -7.895658118e-01 3.64 -2.393857779e-01 -6.318699261e-01 -7.496009780e-01 3.66 -2.181770141e-01 -5.960224745e-01 -7.125086973e-01 3.68 -1.976539895e-01 -5.617794020e-01 -6.781401579e-01 3.70 -1.777846271e-01 -5.290722177e-01 -6.463324959e-01 3.72 -1.585311241e-01 -4.978297098e-01 -6.169007243e-01 3.74 -1.398572061e-01 -4.679781586e-01 -5.896396569e-01 3.76 -1.221600641e-01 -4.394418846e-01 -5.643253514e-01 3.78 -1.063251691e-01 -4.121430260e-01 -5.407167404e-01 3.80 -9.307464987e-02 -3.860021449e-01 -5.185597864e-01 3.82 -8.292759408e-02 -3.609380326e-01 -4.975936945e-01 3.84 -7.621448779e-02 -3.368681673e-01 -4.775589816e-01 3.86 -7.309270147e-02 -3.137139787e-01 -4.582130476e-01 3.88 -7.356725869e-02 -2.914425674e-01 -4.393963135e-01 3.90 -7.749452544e-02 -2.700445656e-01 -4.210040006e-01 3.92 -8.457487133e-02 -2.495112243e-01 -4.029614731e-01 3.94 -9.439710780e-02 -2.298301673e-01 -3.852479320e-01 3.96 -1.064641348e-01 -2.109825909e-01 -3.678624537e-01 3.98 -1.202117106e-01 -1.929481814e-01 -3.508062157e-01 4.00 -1.350276323e-01 -1.757051672e-01 -3.340769890e-01 4.02 -1.502706727e-01 -1.593497791e-01 -3.176647103e-01 4.04 -1.652906193e-01 -1.443031282e-01 -3.015499499e-01 4.06 -1.794631175e-01 -1.309175976e-01 -2.857030871e-01 4.08 -1.922944270e-01 -1.194190170e-01 -2.700856921e-01 4.10 -2.033960208e-01 -1.099244656e-01 -2.546521299e-01 4.12 -2.124592391e-01 -1.024589833e-01 -2.393512379e-01 4.14 -2.192560924e-01 -9.695701591e-02 -2.241218805e-01 4.16 -2.236357682e-01 -9.326804730e-02 -2.088992536e-01 4.18 -2.255216083e-01 -9.118878143e-02 -1.936222700e-01 4.20 -2.249060325e-01 -9.048496424e-02 -1.785344923e-01 4.22 -2.218523212e-01 -9.094008474e-02 -1.642897992e-01 4.24 -2.164800071e-01 -9.227389838e-02 -1.514566241e-01 4.26 -2.089545982e-01 -9.401512136e-02 -1.404704915e-01 4.28 -1.994699237e-01 -9.571582664e-02 -1.316421477e-01 4.30 -1.882423971e-01 -9.700391180e-02 -1.251657806e-01 4.32 -1.755099551e-01 -9.758620320e-02 -1.211282215e-01 4.34 -1.615262740e-01 -9.724999176e-02 -1.195181503e-01 4.36 -1.465523382e-01 -9.586156216e-02 -1.202361239e-01 4.38 -1.308512235e-01 -9.336194331e-02 -1.231046588e-01 4.40 -1.146814940e-01 -8.976105782e-02 -1.278787371e-01 4.42 -9.829273077e-02 -8.512923219e-02 -1.342564587e-01 4.44 -8.192283887e-02 -7.958687700e-02 -1.418899347e-01 4.46 -6.579489451e-02 -7.329301304e-02 -1.503966117e-01 4.48 -5.011552619e-02 -6.643142640e-02 -1.593582856e-01 4.50 -3.507596001e-02 -5.919717410e-02 -1.682611706e-01 4.52 -2.085400315e-02 -5.177847603e-02 -1.765844422e-01 4.54 -7.636207124e-03 -4.430122510e-02 -1.838573057e-01 4.56 4.401104595e-03 -3.686411456e-02 -1.897271563e-01 4.58 1.510541900e-02 -2.954803484e-02 -1.939243310e-01 4.60 2.435375277e-02 -2.241362523e-02 -1.962469299e-01 4.62 3.205869826e-02 -1.550529245e-02 -1.965598468e-01 4.64 3.817449270e-02 -8.854821105e-03 -1.947906857e-01 4.66 4.270285956e-02 -2.484845970e-03 -1.909272827e-01 4.68 4.570731304e-02 3.589652729e-03 -1.850125704e-01 4.70 4.730830038e-02 9.360545886e-03 -1.771404115e-01 4.72 4.765606338e-02 1.482647704e-02 -1.674497011e-01 4.74 4.692403825e-02 1.999270256e-02 -1.561195922e-01 4.76 4.530591270e-02 2.487063152e-02 -1.433613433e-01 4.78 4.301898497e-02 2.949010180e-02 -1.293913642e-01 4.80 4.028138246e-02 3.388853592e-02 -1.144247115e-01 4.82 3.729440501e-02 3.807985297e-02 -9.869209853e-02 4.84 3.423261106e-02 4.206835025e-02 -8.243501884e-02 4.86 3.123686448e-02 4.584992424e-02 -6.590036142e-02 4.88 2.841173763e-02 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