# 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--ipr2 # composition = CuNi3 # 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 -4.104541050e+02 nan nan 0.92 -3.824460747e+02 nan nan 0.94 -3.560802633e+02 nan nan 0.96 -3.323691188e+02 nan nan 0.98 -3.112097360e+02 nan nan 1.00 -2.918832457e+02 nan nan 1.02 -2.743392659e+02 -3.634219671e+02 -3.966557585e+02 1.04 -2.585345426e+02 -3.425711644e+02 -3.742355109e+02 1.06 -2.439696380e+02 -3.229383127e+02 -3.533042200e+02 1.08 -2.300239419e+02 -3.047344322e+02 -3.332002149e+02 1.10 -2.163351621e+02 -2.877101988e+02 -3.138774641e+02 1.12 -2.029610283e+02 -2.713830708e+02 -2.955341813e+02 1.14 -1.903078008e+02 -2.556398189e+02 -2.784261263e+02 1.16 -1.787436459e+02 -2.405661223e+02 -2.626426159e+02 1.18 -1.684409172e+02 -2.264808598e+02 -2.481654019e+02 1.20 -1.592732804e+02 -2.138062074e+02 -2.350631434e+02 1.22 -1.507788557e+02 -2.025359144e+02 -2.232825180e+02 1.24 -1.424007316e+02 -1.922434945e+02 -2.124527985e+02 1.26 -1.338086506e+02 -1.825812226e+02 -2.021558363e+02 1.28 -1.250839683e+02 -1.734780931e+02 -1.921114789e+02 1.30 -1.164444188e+02 -1.648353466e+02 -1.822856752e+02 1.32 -1.079256242e+02 -1.564589424e+02 -1.727471957e+02 1.34 -9.951683314e+01 -1.481953403e+02 -1.635177494e+02 1.36 -9.133205317e+01 -1.401016809e+02 -1.546669336e+02 1.38 -8.344322209e+01 -1.323499507e+02 -1.462552090e+02 1.40 -7.580823051e+01 -1.249882935e+02 -1.382285773e+02 1.42 -6.838246610e+01 -1.178516024e+02 -1.305067902e+02 1.44 -6.125606856e+01 -1.107446922e+02 -1.231229815e+02 1.46 -5.452235708e+01 -1.035685653e+02 -1.161202095e+02 1.48 -4.816566861e+01 -9.633614798e+01 -1.094434375e+02 1.50 -4.209105460e+01 -8.911336422e+01 -1.029059318e+02 1.52 -3.626217351e+01 -8.197681620e+01 -9.627048974e+01 1.54 -3.075869187e+01 -7.496700447e+01 -8.945066175e+01 1.56 -2.568467827e+01 -6.804623817e+01 -8.253878429e+01 1.58 -2.106449019e+01 -6.111170987e+01 -7.567464374e+01 1.60 -1.680108127e+01 -5.408442881e+01 -6.895314215e+01 1.62 -1.271610074e+01 -4.701560431e+01 -6.239532778e+01 1.64 -8.705973372e+00 -4.008367324e+01 -5.600027528e+01 1.66 -5.469292726e+00 -3.348838817e+01 -4.978699245e+01 1.68 -3.207621169e+00 -2.734288143e+01 -4.377604264e+01 1.70 -1.787671217e+00 -2.167497427e+01 -3.798791866e+01 1.72 -1.014984926e+00 -1.650588152e+01 -3.243317546e+01 1.74 -6.860127364e-01 -1.186268545e+01 -2.711830160e+01 1.76 -6.396141065e-01 -7.881370903e+00 -2.207871048e+01 1.78 -7.612075879e-01 -5.039805458e+00 -1.734677682e+01 1.80 -9.705184337e-01 -3.150378497e+00 -1.292639362e+01 1.82 -1.216029434e+00 -1.912108281e+00 -8.885521641e+00 1.84 -1.469234430e+00 -1.130958397e+00 -5.741654342e+00 1.86 -1.716041697e+00 -6.845369824e-01 -3.520561458e+00 1.88 -1.955568146e+00 -4.842847473e-01 -2.058797673e+00 1.90 -2.192403893e+00 -4.566805442e-01 -1.148182860e+00 1.92 -2.425342916e+00 -5.420816134e-01 -6.214640280e-01 1.94 -2.650325806e+00 -7.006853138e-01 -3.581188824e-01 1.96 -2.862279714e+00 -9.090369479e-01 -2.797243635e-01 1.98 -3.055671215e+00 -1.151753975e+00 -3.339894429e-01 2.00 -3.226650200e+00 -1.417374005e+00 -4.826361942e-01 2.02 -3.372827666e+00 -1.696226711e+00 -6.956518148e-01 2.04 -3.494491590e+00 -1.980566589e+00 -9.485537971e-01 2.06 -3.595606457e+00 -2.263900572e+00 -1.221836151e+00 2.08 -3.681513078e+00 -2.540018331e+00 -1.501047165e+00 2.10 -3.756623635e+00 -2.802248036e+00 -1.776023046e+00 2.12 -3.823475529e+00 -3.044073435e+00 -2.041014115e+00 2.14 -3.883287054e+00 -3.259768480e+00 -2.292675514e+00 2.16 -3.935968528e+00 -3.444730580e+00 -2.529727944e+00 2.18 -3.980916137e+00 -3.596098989e+00 -2.753237534e+00 2.20 -4.017344848e+00 -3.713203445e+00 -2.962027997e+00 2.22 -4.044537263e+00 -3.799463541e+00 -3.154209332e+00 2.24 -4.062219045e+00 -3.862738412e+00 -3.330370754e+00 2.26 -4.069845550e+00 -3.911555608e+00 -3.491199005e+00 2.28 -4.067524705e+00 -3.952354744e+00 -3.636052077e+00 2.30 -4.056147359e+00 -3.987092522e+00 -3.763877908e+00 2.32 -4.036723678e+00 -4.016556819e+00 -3.873982263e+00 2.34 -4.010037709e+00 -4.041349370e+00 -3.966196693e+00 2.36 -3.976624838e+00 -4.061822379e+00 -4.040994737e+00 2.38 -3.936880856e+00 -4.078034463e+00 -4.099524580e+00 2.40 -3.891223783e+00 -4.089506581e+00 -4.143337882e+00 2.42 -3.840060374e+00 -4.095374839e+00 -4.174220282e+00 2.44 -3.784034395e+00 -4.094846509e+00 -4.194483055e+00 2.46 -3.723985884e+00 -4.088431456e+00 -4.206724001e+00 2.48 -3.660794128e+00 -4.077343032e+00 -4.212934179e+00 2.50 -3.595403422e+00 -4.062718182e+00 -4.214531399e+00 2.52 -3.528445744e+00 -4.044713600e+00 -4.211528022e+00 2.54 -3.460201097e+00 -4.022950464e+00 -4.202725796e+00 2.56 -3.390964802e+00 -3.997198706e+00 -4.186979582e+00 2.58 -3.320960598e+00 -3.967351379e+00 -4.164384509e+00 2.60 -3.250507036e+00 -3.933587759e+00 -4.135700479e+00 2.62 -3.180014332e+00 -3.896222153e+00 -4.101698457e+00 2.64 -3.109796548e+00 -3.855652128e+00 -4.063005462e+00 2.66 -3.038959912e+00 -3.812310273e+00 -4.020332536e+00 2.68 -2.965747956e+00 -3.766440870e+00 -3.974457673e+00 2.70 -2.888797895e+00 -3.718188963e+00 -3.926173983e+00 2.72 -2.807131454e+00 -3.667685315e+00 -3.876206933e+00 2.74 -2.720120045e+00 -3.615036023e+00 -3.825111060e+00 2.76 -2.627375811e+00 -3.560348522e+00 -3.773135952e+00 2.78 -2.528833666e+00 -3.503834945e+00 -3.720120346e+00 2.80 -2.425112066e+00 -3.445850866e+00 -3.665913272e+00 2.82 -2.317761790e+00 -3.386741715e+00 -3.610411382e+00 2.84 -2.209640026e+00 -3.326754593e+00 -3.553550543e+00 2.86 -2.103721116e+00 -3.265857908e+00 -3.495377549e+00 2.88 -2.002306413e+00 -3.203508367e+00 -3.436054160e+00 2.90 -1.907037799e+00 -3.139197606e+00 -3.375832001e+00 2.92 -1.818773219e+00 -3.072763592e+00 -3.315004076e+00 2.94 -1.737563930e+00 -3.003718342e+00 -3.253796400e+00 2.96 -1.662771137e+00 -2.931289794e+00 -3.192429638e+00 2.98 -1.593441728e+00 -2.854980068e+00 -3.131000383e+00 3.00 -1.528526814e+00 -2.774630200e+00 -3.069154637e+00 3.02 -1.466992808e+00 -2.690479088e+00 -3.006634304e+00 3.04 -1.408012755e+00 -2.603088419e+00 -2.943114857e+00 3.06 -1.351094083e+00 -2.513072405e+00 -2.878216839e+00 3.08 -1.296046160e+00 -2.420983899e+00 -2.811434752e+00 3.10 -1.242852915e+00 -2.327322820e+00 -2.741939410e+00 3.12 -1.191537154e+00 -2.232716185e+00 -2.668795444e+00 3.14 -1.141968401e+00 -2.138291489e+00 -2.591023390e+00 3.16 -1.093995596e+00 -2.045505934e+00 -2.507728858e+00 3.18 -1.047590326e+00 -1.955702893e+00 -2.418299705e+00 3.20 -1.002799970e+00 -1.869780270e+00 -2.322594200e+00 3.22 -9.597071435e-01 -1.788146507e+00 -2.221688838e+00 3.24 -9.184319856e-01 -1.710869095e+00 -2.117538845e+00 3.26 -8.791320644e-01 -1.637745687e+00 -2.012140560e+00 3.28 -8.419080082e-01 -1.568367714e+00 -1.907298902e+00 3.30 -8.067464024e-01 -1.502197426e+00 -1.804490485e+00 3.32 -7.735174955e-01 -1.438651791e+00 -1.704820882e+00 3.34 -7.419970279e-01 -1.377185510e+00 -1.609056927e+00 3.36 -7.119007034e-01 -1.317407621e+00 -1.517703058e+00 3.38 -6.829614092e-01 -1.259114635e+00 -1.431066176e+00 3.40 -6.549562167e-01 -1.202269267e+00 -1.349289639e+00 3.42 -6.276669330e-01 -1.147031245e+00 -1.272428694e+00 3.44 -6.009046665e-01 -1.093623628e+00 -1.200477373e+00 3.46 -5.745593572e-01 -1.042261112e+00 -1.133382056e+00 3.48 -5.486209171e-01 -9.931083924e-01 -1.071052956e+00 3.50 -5.230994635e-01 -9.462557119e-01 -1.013372438e+00 3.52 -4.980047480e-01 -9.017139290e-01 -9.602019212e-01 3.54 -4.733460895e-01 -8.594241099e-01 -9.113865142e-01 3.56 -4.491325460e-01 -8.192765427e-01 -8.667581507e-01 3.58 -4.253724919e-01 -7.811338947e-01 -8.261371372e-01 3.60 -4.020738933e-01 -7.448495803e-01 -7.893322090e-01 3.62 -3.792440772e-01 -7.102758232e-01 -7.561392296e-01 3.64 -3.568896374e-01 -6.772734930e-01 -7.263410836e-01 3.66 -3.350163549e-01 -6.457483378e-01 -6.997110252e-01 3.68 -3.136291071e-01 -6.156197556e-01 -6.760002651e-01 3.70 -2.927319999e-01 -5.868070838e-01 -6.549242002e-01 3.72 -2.723277063e-01 -5.592295811e-01 -6.361437862e-01 3.74 -2.524175716e-01 -5.328065654e-01 -6.192824255e-01 3.76 -2.330089635e-01 -5.074576043e-01 -6.039339528e-01 3.78 -2.141380363e-01 -4.831024105e-01 -5.896718445e-01 3.80 -1.958480493e-01 -4.596612725e-01 -5.760653090e-01 3.82 -1.781811851e-01 -4.370550783e-01 -5.627005599e-01 3.84 -1.611785993e-01 -4.152057230e-01 -5.492046167e-01 3.86 -1.448805551e-01 -3.940421920e-01 -5.352760277e-01 3.88 -1.293286319e-01 -3.735447201e-01 -5.207711720e-01 3.90 -1.145530699e-01 -3.537175214e-01 -5.056619941e-01 3.92 -1.005490698e-01 -3.345625875e-01 -4.899897852e-01 3.94 -8.730280794e-02 -3.160776133e-01 -4.738705094e-01 3.96 -7.479777678e-02 -2.982557585e-01 -4.574472515e-01 3.98 -6.301474698e-02 -2.810883616e-01 -4.408600987e-01 4.00 -5.193181428e-02 -2.645653472e-01 -4.242294185e-01 4.02 -4.152444604e-02 -2.486752297e-01 -4.076466092e-01 4.04 -3.176561731e-02 -2.333694172e-01 -3.911707059e-01 4.06 -2.261295139e-02 -2.178252366e-01 -3.748303106e-01 4.08 -1.340546797e-02 -2.007424338e-01 -3.586285942e-01 4.10 -2.903870390e-03 -1.811911272e-01 -3.425498844e-01 4.12 9.891062568e-03 -1.586182845e-01 -3.265678617e-01 4.14 2.570917415e-02 -1.328073297e-01 -3.106536121e-01 4.16 4.502446594e-02 -1.038388472e-01 -2.947779056e-01 4.18 6.807028161e-02 -7.207344546e-02 -2.789103971e-01 4.20 9.485415462e-02 -3.812060095e-02 -2.630291297e-01 4.22 1.251691340e-01 -2.821462566e-03 -2.471608456e-01 4.24 1.586172319e-01 3.282003339e-02 -2.313480365e-01 4.26 1.946323085e-01 6.770017014e-02 -2.156318818e-01 4.28 2.325027621e-01 1.006710777e-01 -2.000519547e-01 4.30 2.713895439e-01 1.305969626e-01 -1.846466698e-01 4.32 3.103454924e-01 1.564163373e-01 -1.694526220e-01 4.34 3.483445269e-01 1.772020068e-01 -1.545049228e-01 4.36 3.843136066e-01 1.922220288e-01 -1.398369914e-01 4.38 4.171684904e-01 2.009958607e-01 -1.254804785e-01 4.40 4.458519647e-01 2.033433545e-01 -1.114654456e-01 4.42 4.693739053e-01 1.994227040e-01 -9.781999229e-02 4.44 4.868551996e-01 1.897482278e-01 -8.457055533e-02 4.46 4.975680301e-01 1.751841383e-01 -7.174179222e-02 4.48 5.009778757e-01 1.569079619e-01 -5.935649862e-02 4.50 4.967820503e-01 1.363340096e-01 -4.743580206e-02 4.52 4.849371717e-01 1.152148503e-01 -3.599916572e-02 4.54 4.656567055e-01 9.574024800e-02 -2.499722520e-02 4.56 4.394486183e-01 7.983784754e-02 -1.366993855e-02 4.58 4.071356341e-01 6.891671129e-02 -1.032918970e-03 4.60 3.698391645e-01 6.378132818e-02 1.368906964e-02 4.62 3.289430218e-01 6.462738800e-02 3.106839940e-02 4.64 2.860299624e-01 7.112538209e-02 5.148439697e-02 4.66 2.427917643e-01 8.257621472e-02 7.513374127e-02 4.68 2.009679625e-01 9.809925138e-02 1.020414996e-01 4.70 1.621853588e-01 1.168044129e-01 1.320740697e-01 4.72 1.276983170e-01 1.379032683e-01 1.649511171e-01 4.74 9.828302718e-02 1.607470586e-01 2.002610726e-01 4.76 7.420469494e-02 1.848005441e-01 2.374755422e-01 4.78 5.526818713e-02 2.096027516e-01 2.759870106e-01 4.80 4.090320391e-02 2.347103974e-01 3.151246814e-01 4.82 3.030786458e-02 2.596395789e-01 3.541520412e-01 4.84 2.261402365e-02 2.838720707e-01 3.922837515e-01 4.86 1.702838549e-02 3.068723644e-01 4.287052459e-01 4.88 1.291912646e-02 3.281023110e-01 4.625931762e-01 4.90 9.839915015e-03 3.470360832e-01 4.931365535e-01 4.92 7.504633301e-03 3.631744749e-01 5.195591343e-01 4.94 5.738376156e-03 3.760595211e-01 5.411418870e-01 4.96 4.427155736e-03 3.852885689e-01 5.572461998e-01 4.98 3.482602521e-03 3.905289769e-01 5.673380549e-01 5.00 2.827637288e-03 3.915324277e-01 5.710111701e-01 5.02 2.391800810e-03 3.881479259e-01 5.680089885e-01 5.04 2.112242774e-03 3.803353435e-01 5.582463068e-01 5.06 1.936216259e-03 3.681788012e-01 5.418263971e-01 5.08 1.822633756e-03 3.518945368e-01 5.190556598e-01 5.10 1.742368779e-03 3.318335813e-01 4.904495472e-01 5.12 1.677366566e-03 3.084821922e-01 4.567337800e-01 5.14 1.619151941e-03 2.824540315e-01 4.188313287e-01 5.16 1.566591207e-03 2.544746357e-01 3.778381037e-01 5.18 1.523852331e-03 2.253567905e-01 3.349850324e-01 5.20 1.497688217e-03 1.959642830e-01 2.915823800e-01 5.22 1.492007597e-03 1.671777513e-01 2.489664954e-01 5.24 1.505951399e-03 1.398741212e-01 2.084650346e-01 5.26 1.537244904e-03 1.148075913e-01 1.712223315e-01 5.28 1.582367736e-03 9.253729107e-02 1.380916940e-01 5.30 1.636573903e-03 7.339515974e-02 1.095858125e-01 5.32 1.694003884e-03 5.747509021e-02 8.585920909e-02 5.34 1.747982617e-03 4.464948841e-02 6.673265787e-02 5.36 1.791411854e-03 3.461040446e-02 5.175427853e-02 5.38 1.817329285e-03 2.693089593e-02 4.029163709e-02 5.40 1.819548373e-03 2.113444701e-02 3.163607676e-02 5.42 1.793355734e-03 1.676005622e-02 2.510075907e-02 5.44 1.736129703e-03 1.341079694e-02 2.009384610e-02 5.46 1.647830428e-03 1.077964216e-02 1.615754673e-02 5.48 1.531278386e-03 8.652922178e-03 1.297349172e-02 5.50 1.392146499e-03 6.896990999e-03 1.034282280e-02 5.52 1.238675678e-03 5.437051139e-03 8.154495848e-03 5.54 1.078992711e-03 4.229346913e-03 6.343640666e-03 5.56 9.177033058e-04 3.236055554e-03 4.853979386e-03 5.58 7.595378359e-04 2.427657682e-03 3.641476461e-03 5.60 6.093418269e-04 1.779177543e-03 2.668781649e-03 5.62 4.715349413e-04 1.268006753e-03 1.902028149e-03 5.64 3.497004795e-04 8.733404396e-04 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