# 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 = Co3Fe # 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 -5.945630416e+02 nan nan 0.92 -5.546634588e+02 nan nan 0.94 -5.194216612e+02 nan nan 0.96 -4.875450534e+02 nan nan 0.98 -4.578523598e+02 nan nan 1.00 -4.299054271e+02 nan nan 1.02 -4.033950859e+02 -5.297817074e+02 -5.796439928e+02 1.04 -3.781180955e+02 -5.001470068e+02 -5.466594570e+02 1.06 -3.543052035e+02 -4.726109950e+02 -5.159685319e+02 1.08 -3.323594070e+02 -4.470029206e+02 -4.867671680e+02 1.10 -3.122772890e+02 -4.226866394e+02 -4.588505235e+02 1.12 -2.937973375e+02 -3.990909474e+02 -4.322754391e+02 1.14 -2.767683140e+02 -3.761043646e+02 -4.072219056e+02 1.16 -2.609810290e+02 -3.537767942e+02 -3.837803811e+02 1.18 -2.461464516e+02 -3.323675423e+02 -3.620045553e+02 1.20 -2.318943167e+02 -3.122716974e+02 -3.421100225e+02 1.22 -2.180195309e+02 -2.936682653e+02 -3.241452205e+02 1.24 -2.045949530e+02 -2.765619928e+02 -3.076717113e+02 1.26 -1.917716399e+02 -2.609946364e+02 -2.921716471e+02 1.28 -1.796049757e+02 -2.470119778e+02 -2.772814611e+02 1.30 -1.680049338e+02 -2.343507633e+02 -2.629382735e+02 1.32 -1.568627979e+02 -2.226201569e+02 -2.491468069e+02 1.34 -1.461859627e+02 -2.114916622e+02 -2.358750171e+02 1.36 -1.360004165e+02 -2.008672423e+02 -2.231650610e+02 1.38 -1.262734213e+02 -1.907580553e+02 -2.110504347e+02 1.40 -1.169791225e+02 -1.810744752e+02 -1.995112857e+02 1.42 -1.081315776e+02 -1.716022771e+02 -1.885334192e+02 1.44 -9.978727717e+01 -1.621831069e+02 -1.781995785e+02 1.46 -9.185710832e+01 -1.527253881e+02 -1.685422205e+02 1.48 -8.413006366e+01 -1.432120687e+02 -1.594517411e+02 1.50 -7.642811765e+01 -1.337375540e+02 -1.507441323e+02 1.52 -6.872651933e+01 -1.244171454e+02 -1.422212594e+02 1.54 -6.112107756e+01 -1.153215253e+02 -1.337977171e+02 1.56 -5.369748053e+01 -1.064386182e+02 -1.254994426e+02 1.58 -4.648531695e+01 -9.772270616e+01 -1.173745765e+02 1.60 -3.950128245e+01 -8.914940858e+01 -1.094205753e+02 1.62 -3.279567641e+01 -8.075424283e+01 -1.015484651e+02 1.64 -2.647216537e+01 -7.264622983e+01 -9.368888054e+01 1.66 -2.063890916e+01 -6.494930463e+01 -8.586730949e+01 1.68 -1.535369851e+01 -5.771554872e+01 -7.812180305e+01 1.70 -1.075305988e+01 -5.090871570e+01 -7.049697553e+01 1.72 -7.324567237e+00 -4.449106516e+01 -6.304110199e+01 1.74 -4.981265739e+00 -3.845273409e+01 -5.581680990e+01 1.76 -3.433279654e+00 -3.279262857e+01 -4.890051240e+01 1.78 -2.459029038e+00 -2.747816275e+01 -4.233634067e+01 1.80 -1.898560384e+00 -2.246521126e+01 -3.614212973e+01 1.82 -1.638807653e+00 -1.771923378e+01 -3.033122074e+01 1.84 -1.594177397e+00 -1.329917249e+01 -2.493168453e+01 1.86 -1.693027720e+00 -9.432078573e+00 -1.998491602e+01 1.88 -1.876329477e+00 -6.500451200e+00 -1.573785407e+01 1.90 -2.099889878e+00 -4.443719296e+00 -1.213374578e+01 1.92 -2.338756184e+00 -3.048084553e+00 -9.033225048e+00 1.94 -2.576297181e+00 -2.146407420e+00 -6.464242165e+00 1.96 -2.797917079e+00 -1.614800777e+00 -4.601092743e+00 1.98 -2.995016888e+00 -1.355466980e+00 -3.297768692e+00 2.00 -3.167339916e+00 -1.291310451e+00 -2.422937309e+00 2.02 -3.318379590e+00 -1.361071542e+00 -1.873063681e+00 2.04 -3.451516137e+00 -1.517673265e+00 -1.567966540e+00 2.06 -3.570310723e+00 -1.725778140e+00 -1.447383552e+00 2.08 -3.675197149e+00 -1.960229099e+00 -1.465745306e+00 2.10 -3.766160116e+00 -2.203780481e+00 -1.587275743e+00 2.12 -3.844958277e+00 -2.445532454e+00 -1.781710309e+00 2.14 -3.914670552e+00 -2.679502310e+00 -2.022086591e+00 2.16 -3.976481138e+00 -2.901521332e+00 -2.284527553e+00 2.18 -4.030739445e+00 -3.107404613e+00 -2.548999714e+00 2.20 -4.077501913e+00 -3.293469142e+00 -2.799469306e+00 2.22 -4.116764608e+00 -3.457712684e+00 -3.023708347e+00 2.24 -4.148920334e+00 -3.601385446e+00 -3.219144342e+00 2.26 -4.173685684e+00 -3.726364997e+00 -3.393884182e+00 2.28 -4.190189222e+00 -3.834561879e+00 -3.555946152e+00 2.30 -4.196667919e+00 -3.927207100e+00 -3.710280803e+00 2.32 -4.191688165e+00 -4.005685193e+00 -3.853908477e+00 2.34 -4.175410838e+00 -4.071367988e+00 -3.981874264e+00 2.36 -4.148291322e+00 -4.125795171e+00 -4.091268664e+00 2.38 -4.111127117e+00 -4.170767871e+00 -4.181219554e+00 2.40 -4.065131215e+00 -4.207805169e+00 -4.252325977e+00 2.42 -4.011765068e+00 -4.237950298e+00 -4.306151799e+00 2.44 -3.952380743e+00 -4.261899302e+00 -4.344956119e+00 2.46 -3.888041262e+00 -4.280319485e+00 -4.371363143e+00 2.48 -3.819653040e+00 -4.293296307e+00 -4.387680114e+00 2.50 -3.748110774e+00 -4.300401344e+00 -4.395983417e+00 2.52 -3.674133411e+00 -4.300120803e+00 -4.397351977e+00 2.54 -3.598292881e+00 -4.291051926e+00 -4.391806761e+00 2.56 -3.521384886e+00 -4.273169524e+00 -4.379393201e+00 2.58 -3.444353089e+00 -4.246724233e+00 -4.360175350e+00 2.60 -3.368302736e+00 -4.212213715e+00 -4.334161586e+00 2.62 -3.294474898e+00 -4.170245526e+00 -4.301797288e+00 2.64 -3.224091343e+00 -4.121516783e+00 -4.263658857e+00 2.66 -3.158176062e+00 -4.066754406e+00 -4.220423613e+00 2.68 -3.097459643e+00 -4.006558253e+00 -4.172960003e+00 2.70 -3.042454956e+00 -3.941477079e+00 -4.122241003e+00 2.72 -2.993213649e+00 -3.872074270e+00 -4.069185781e+00 2.74 -2.943831668e+00 -3.798959223e+00 -4.014483980e+00 2.76 -2.882842070e+00 -3.722878531e+00 -3.958495276e+00 2.78 -2.801504370e+00 -3.644744298e+00 -3.901364434e+00 2.80 -2.694376934e+00 -3.565585955e+00 -3.843191695e+00 2.82 -2.559074280e+00 -3.486484263e+00 -3.784112105e+00 2.84 -2.396081475e+00 -3.408445633e+00 -3.724256505e+00 2.86 -2.208124084e+00 -3.332367958e+00 -3.663902853e+00 2.88 -1.999285693e+00 -3.258962104e+00 -3.603460473e+00 2.90 -1.779411525e+00 -3.188723222e+00 -3.543384242e+00 2.92 -1.559277719e+00 -3.121986129e+00 -3.484090485e+00 2.94 -1.345113751e+00 -3.058799439e+00 -3.425891481e+00 2.96 -1.139915160e+00 -2.998996238e+00 -3.369001314e+00 2.98 -9.448403823e-01 -2.941191536e+00 -3.313550443e+00 3.00 -7.603787743e-01 -2.882168308e+00 -3.258016570e+00 3.02 -5.873053371e-01 -2.818779849e+00 -3.198302290e+00 3.04 -4.272850800e-01 -2.748075058e+00 -3.131612065e+00 3.06 -2.826327766e-01 -2.667155651e+00 -3.056331260e+00 3.08 -1.555514464e-01 -2.573150929e+00 -2.971287992e+00 3.10 -4.720276648e-02 -2.463299311e+00 -2.875408246e+00 3.12 4.291350203e-02 -2.334971189e+00 -2.767515618e+00 3.14 1.170303230e-01 -2.185726296e+00 -2.646196199e+00 3.16 1.785326637e-01 -2.013805820e+00 -2.510015323e+00 3.18 2.310316894e-01 -1.818782226e+00 -2.358054829e+00 3.20 2.776308111e-01 -1.605915031e+00 -2.190026553e+00 3.22 3.205445998e-01 -1.383862812e+00 -2.007832491e+00 3.24 3.610716798e-01 -1.160953023e+00 -1.817824594e+00 3.26 3.998829197e-01 -9.448232941e-01 -1.626150091e+00 3.28 4.372930238e-01 -7.419879977e-01 -1.437732953e+00 3.30 4.734301537e-01 -5.572899439e-01 -1.256024737e+00 3.32 5.083522983e-01 -3.934412173e-01 -1.083034992e+00 3.34 5.421038764e-01 -2.508963492e-01 -9.196043754e-01 3.36 5.747283114e-01 -1.282595159e-01 -7.657889589e-01 3.38 6.062239995e-01 -2.293437108e-02 -6.214287981e-01 3.40 6.365306876e-01 6.816267044e-02 -4.863656600e-01 3.42 6.655712403e-01 1.479303238e-01 -3.602874175e-01 3.44 6.932272986e-01 2.187250869e-01 -2.427830505e-01 3.46 7.193506852e-01 2.822721892e-01 -1.333950769e-01 3.48 7.439116877e-01 3.397507956e-01 -3.165790607e-02 3.50 7.669120467e-01 3.919518672e-01 6.287381683e-02 3.52 7.883577790e-01 4.394363677e-01 1.506077395e-01 3.54 8.082585367e-01 4.826573152e-01 2.319013461e-01 3.56 8.266271493e-01 5.220355590e-01 3.070562239e-01 3.58 8.434786383e-01 5.579673699e-01 3.763163834e-01 3.60 8.588300720e-01 5.907891429e-01 4.398694333e-01 3.62 8.726998233e-01 6.207933678e-01 4.978510022e-01 3.64 8.851089534e-01 6.482373560e-01 5.503659684e-01 3.66 8.960866889e-01 6.733415709e-01 5.975327701e-01 3.68 9.056635212e-01 6.962911610e-01 6.394596904e-01 3.70 9.138679552e-01 7.172435016e-01 6.762684743e-01 3.72 9.207041100e-01 7.363311111e-01 7.081581894e-01 3.74 9.261475968e-01 7.536639698e-01 7.354094856e-01 3.76 9.301650459e-01 7.693315197e-01 7.584011456e-01 3.78 9.327047528e-01 7.834039196e-01 7.776234886e-01 3.80 9.337058287e-01 7.959323679e-01 7.936710974e-01 3.82 9.331014846e-01 8.069490190e-01 8.072056303e-01 3.84 9.308183172e-01 8.164656171e-01 8.188898442e-01 3.86 9.267737066e-01 8.244743510e-01 8.293064222e-01 3.88 9.208601033e-01 8.309709903e-01 8.389044811e-01 3.90 9.129577596e-01 8.359554025e-01 8.479650439e-01 3.92 9.029568039e-01 8.394224862e-01 8.565857804e-01 3.94 8.907408558e-01 8.413636478e-01 8.647069806e-01 3.96 8.761831386e-01 8.417717282e-01 8.721723640e-01 3.98 8.591460722e-01 8.406424745e-01 8.787920172e-01 4.00 8.394811143e-01 8.379753046e-01 8.843916259e-01 4.02 8.170275500e-01 8.337742514e-01 8.888439193e-01 4.04 7.916136567e-01 8.280488893e-01 8.920817257e-01 4.06 7.630691165e-01 8.208152908e-01 8.940985422e-01 4.08 7.313029617e-01 8.120970068e-01 8.949406766e-01 4.10 6.962719995e-01 8.019259920e-01 8.946947991e-01 4.12 6.579570259e-01 7.903435958e-01 8.934666118e-01 4.14 6.163673948e-01 7.774010726e-01 8.913282493e-01 4.16 5.715453795e-01 7.631602886e-01 8.883321485e-01 4.18 5.235715650e-01 7.476953012e-01 8.845279241e-01 4.20 4.725683350e-01 7.310877172e-01 8.799540696e-01 4.22 4.186985105e-01 7.134035979e-01 8.746014907e-01 4.24 3.621764371e-01 6.947134513e-01 8.684428120e-01 4.26 3.032795330e-01 6.751032902e-01 8.614471077e-01 4.28 2.423889415e-01 6.546744720e-01 8.535795744e-01 4.30 1.799787527e-01 6.335442178e-01 8.448014956e-01 4.32 1.165903499e-01 6.118453250e-01 8.350699096e-01 4.34 5.282958229e-02 5.897253745e-01 8.243374138e-01 4.36 -1.064035251e-02 5.673457552e-01 8.125520414e-01 4.38 -7.310837605e-02 5.448795067e-01 7.996570096e-01 4.40 -1.338301820e-01 5.225083709e-01 7.855905146e-01 4.42 -1.920470051e-01 5.004186034e-01 7.702855252e-01 4.44 -2.461995708e-01 4.787955502e-01 7.536696228e-01 4.46 -2.902891438e-01 4.578166166e-01 7.356648423e-01 4.48 -3.195356162e-01 4.376422494e-01 7.161874777e-01 4.50 -3.322735832e-01 4.184061638e-01 6.951479676e-01 4.52 -3.295211083e-01 4.001924255e-01 6.724505760e-01 4.54 -3.143989293e-01 3.829503104e-01 6.480044391e-01 4.56 -2.914020945e-01 3.665583859e-01 6.217627339e-01 4.58 -2.655832357e-01 3.508293392e-01 5.937004596e-01 4.60 -2.417301824e-01 3.354974167e-01 5.638073127e-01 4.62 -2.236078294e-01 3.202225272e-01 5.320887088e-01 4.64 -2.133575021e-01 3.046051324e-01 4.985674354e-01 4.66 -2.111370687e-01 2.882118825e-01 4.632855384e-01 4.68 -2.148967987e-01 2.706107860e-01 4.263055536e-01 4.70 -2.208843228e-01 2.514128678e-01 3.877117876e-01 4.72 -2.249364452e-01 2.303147965e-01 3.476113948e-01 4.74 -2.234631265e-01 2.071355364e-01 3.061360034e-01 4.76 -2.142083493e-01 1.818395708e-01 2.634423961e-01 4.78 -1.966535320e-01 1.545434954e-01 2.197121978e-01 4.80 -1.719487264e-01 1.255031625e-01 1.751531413e-01 4.82 -1.424633346e-01 9.508679596e-02 1.299997327e-01 4.84 -1.111129152e-01 6.374154110e-02 8.451348407e-02 4.86 -8.067997542e-02 3.195515700e-02 3.898237391e-02 4.88 -5.332535887e-02 2.205535863e-04 -6.279511788e-03 4.90 -3.037278338e-02 -3.099323485e-02 -5.093317035e-02 4.92 -1.234493862e-02 -6.126148619e-02 -9.461622309e-02 4.94 8.607048897e-04 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