# 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 = 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 nan nan nan 0.92 nan nan nan 0.94 -5.193898454e+02 nan nan 0.96 -4.875377713e+02 nan nan 0.98 -4.578086598e+02 nan nan 1.00 -4.298847634e+02 nan nan 1.02 -4.033725944e+02 nan nan 1.04 -3.780758826e+02 -5.000336787e+02 nan 1.06 -3.542207904e+02 -4.725672972e+02 -5.159298056e+02 1.08 -3.323570573e+02 -4.469577253e+02 -4.867671492e+02 1.10 -3.122062451e+02 -4.226645613e+02 -4.588376966e+02 1.12 -2.937911685e+02 -3.990487569e+02 -4.322529863e+02 1.14 -2.766731861e+02 -3.759422795e+02 -4.071708887e+02 1.16 -2.609800140e+02 -3.537373141e+02 -3.837721014e+02 1.18 -2.461108811e+02 -3.323337282e+02 -3.619814427e+02 1.20 -2.318844472e+02 -3.121885652e+02 -3.420156130e+02 1.22 -2.179715137e+02 -2.936213425e+02 -3.241332378e+02 1.24 -2.045871060e+02 -2.765459366e+02 -3.076283070e+02 1.26 -1.917707837e+02 -2.608593271e+02 -2.921644190e+02 1.28 -1.795685231e+02 -2.470100625e+02 -2.772779400e+02 1.30 -1.679735415e+02 -2.343507638e+02 -2.628845883e+02 1.32 -1.568567558e+02 -2.226173676e+02 -2.491408557e+02 1.34 -1.461354237e+02 -2.114322925e+02 -2.358331455e+02 1.36 -1.359932913e+02 -2.008627071e+02 -2.231223362e+02 1.38 -1.262734227e+02 -1.907099145e+02 -2.110494299e+02 1.40 -1.169782385e+02 -1.810743584e+02 -1.994923120e+02 1.42 -1.081132267e+02 -1.715909283e+02 -1.885314501e+02 1.44 -9.975695644e+01 -1.620958769e+02 -1.781643180e+02 1.46 -9.185703860e+01 -1.527252931e+02 -1.685420743e+02 1.48 -8.412754388e+01 -1.432089036e+02 -1.594469948e+02 1.50 -7.641495162e+01 -1.337299416e+02 -1.507359077e+02 1.52 -6.865151795e+01 -1.244171058e+02 -1.422127317e+02 1.54 -6.112107790e+01 -1.153152327e+02 -1.337363081e+02 1.56 -5.369748117e+01 -1.063939154e+02 -1.254994427e+02 1.58 -4.648531688e+01 -9.768091266e+01 -1.173745764e+02 1.60 -3.949623896e+01 -8.914906061e+01 -1.094205745e+02 1.62 -3.275478183e+01 -8.074583365e+01 -1.015473177e+02 1.64 -2.645829298e+01 -7.260817622e+01 -9.365982612e+01 1.66 -2.062113175e+01 -6.494930248e+01 -8.573453947e+01 1.68 -1.535369005e+01 -5.771551292e+01 -7.812177842e+01 1.70 -1.075206709e+01 -5.090298503e+01 -7.049323789e+01 1.72 -7.320186134e+00 -4.445158068e+01 -6.301882164e+01 1.74 -4.978443872e+00 -3.841254208e+01 -5.581680955e+01 1.76 -3.421521598e+00 -3.279262712e+01 -4.890023279e+01 1.78 -2.454994860e+00 -2.747815850e+01 -4.232896724e+01 1.80 -1.901135604e+00 -2.246393637e+01 -3.610814748e+01 1.82 -1.638807525e+00 -1.771088569e+01 -3.033122120e+01 1.84 -1.594177424e+00 -1.329917141e+01 -2.493166480e+01 1.86 -1.693027869e+00 -9.432078365e+00 -1.998190622e+01 1.88 -1.876329347e+00 -6.500451442e+00 -1.571812714e+01 1.90 -2.099836743e+00 -4.443719578e+00 -1.213374643e+01 1.92 -2.338401424e+00 -3.048084497e+00 -9.033225597e+00 1.94 -2.575639590e+00 -2.146396034e+00 -6.464215294e+00 1.96 -2.798320795e+00 -1.613890015e+00 -4.598834325e+00 1.98 -2.995024819e+00 -1.351689738e+00 -3.287449973e+00 2.00 -3.167383714e+00 -1.288288288e+00 -2.412617592e+00 2.02 -3.318379519e+00 -1.361071413e+00 -1.873063433e+00 2.04 -3.451516136e+00 -1.517673420e+00 -1.567966606e+00 2.06 -3.570308959e+00 -1.725774433e+00 -1.447378538e+00 2.08 -3.675145717e+00 -1.960129107e+00 -1.465589209e+00 2.10 -3.766057084e+00 -2.203423574e+00 -1.586702328e+00 2.12 -3.845226233e+00 -2.444734871e+00 -1.780537044e+00 2.14 -3.914746594e+00 -2.679502198e+00 -2.022086576e+00 2.16 -3.977172749e+00 -2.901521287e+00 -2.284527595e+00 2.18 -4.033328031e+00 -3.107404641e+00 -2.548999569e+00 2.20 -4.077216891e+00 -3.293469114e+00 -2.799469568e+00 2.22 -4.115693274e+00 -3.457712699e+00 -3.023761946e+00 2.24 -4.148920333e+00 -3.601385434e+00 -3.219643081e+00 2.26 -4.173685682e+00 -3.726370460e+00 -3.396228226e+00 2.28 -4.190189230e+00 -3.834706475e+00 -3.555946159e+00 2.30 -4.196667924e+00 -3.928011738e+00 -3.710280788e+00 2.32 -4.191688170e+00 -4.008309471e+00 -3.853908470e+00 2.34 -4.175410833e+00 -4.071699802e+00 -3.981874274e+00 2.36 -4.148291322e+00 -4.127216218e+00 -4.091268669e+00 2.38 -4.111127124e+00 -4.174578178e+00 -4.181223094e+00 2.40 -4.065131206e+00 -4.207805168e+00 -4.252414429e+00 2.42 -4.011765075e+00 -4.237950297e+00 -4.306556535e+00 2.44 -3.952380745e+00 -4.261899298e+00 -4.346042867e+00 2.46 -3.888041275e+00 -4.280319486e+00 -4.371363138e+00 2.48 -3.819653460e+00 -4.293296304e+00 -4.387680118e+00 2.50 -3.748155344e+00 -4.300401340e+00 -4.395983415e+00 2.52 -3.674381470e+00 -4.300121494e+00 -4.397351975e+00 2.54 -3.599015879e+00 -4.291090828e+00 -4.391806761e+00 2.56 -3.521369764e+00 -4.273364271e+00 -4.379393198e+00 2.58 -3.444291136e+00 -4.247255466e+00 -4.360175346e+00 2.60 -3.368190971e+00 -4.212213711e+00 -4.334162137e+00 2.62 -3.294506137e+00 -4.170245529e+00 -4.301882063e+00 2.64 -3.224277906e+00 -4.121516785e+00 -4.264140025e+00 2.66 -3.158741418e+00 -4.066754427e+00 -4.221814537e+00 2.68 -3.098720659e+00 -4.006558222e+00 -4.175941819e+00 2.70 -3.042454959e+00 -3.941477073e+00 -4.122241000e+00 2.72 -2.993213676e+00 -3.872074279e+00 -4.069185784e+00 2.74 -2.943831665e+00 -3.798959225e+00 -4.014483998e+00 2.76 -2.882842075e+00 -3.722878524e+00 -3.958495268e+00 2.78 -2.801504393e+00 -3.644744280e+00 -3.901364434e+00 2.80 -2.694376948e+00 -3.565585925e+00 -3.843191694e+00 2.82 -2.559074310e+00 -3.486484257e+00 -3.784112115e+00 2.84 -2.396081408e+00 -3.408445619e+00 -3.724256503e+00 2.86 -2.208124122e+00 -3.332367959e+00 -3.663902855e+00 2.88 -1.999285777e+00 -3.258962097e+00 -3.603460467e+00 2.90 -1.779411555e+00 -3.188723187e+00 -3.543384245e+00 2.92 -1.559301102e+00 -3.121994041e+00 -3.484094881e+00 2.94 -1.345335677e+00 -3.058877116e+00 -3.425923563e+00 2.96 -1.140689340e+00 -2.999285321e+00 -3.369083917e+00 2.98 -9.466434634e-01 -2.941886593e+00 -3.313679847e+00 3.00 -7.613698226e-01 -2.882768594e+00 -3.258256455e+00 3.02 -5.873052574e-01 -2.818779832e+00 -3.198302283e+00 3.04 -4.272850452e-01 -2.748076564e+00 -3.131612062e+00 3.06 -2.826326565e-01 -2.667175853e+00 -3.056331250e+00 3.08 -1.555514085e-01 -2.573074416e+00 -2.971287945e+00 3.10 -4.720279146e-02 -2.462508885e+00 -2.875408170e+00 3.12 4.291139588e-02 -2.331825281e+00 -2.767515605e+00 3.14 1.170187723e-01 -2.185726238e+00 -2.646196202e+00 3.16 1.785232266e-01 -2.013805795e+00 -2.510015245e+00 3.18 2.310869390e-01 -1.818782232e+00 -2.358054913e+00 3.20 2.778974762e-01 -1.605914903e+00 -2.190026729e+00 3.22 3.205446002e-01 -1.383862788e+00 -2.007832396e+00 3.24 3.610575179e-01 -1.160953074e+00 -1.817824616e+00 3.26 3.997553030e-01 -9.448231628e-01 -1.626150151e+00 3.28 4.368157321e-01 -7.419878329e-01 -1.437732837e+00 3.30 4.722012762e-01 -5.572899806e-01 -1.256024834e+00 3.32 5.057822889e-01 -3.934413220e-01 -1.083034968e+00 3.34 5.421038407e-01 -2.508964165e-01 -9.196044412e-01 3.36 5.747295351e-01 -1.282595499e-01 -7.657809012e-01 3.38 6.062645014e-01 -2.293438350e-02 -6.211775525e-01 3.40 6.367271272e-01 6.816273186e-02 -4.852198566e-01 3.42 6.661243020e-01 1.479303116e-01 -3.572714369e-01 3.44 6.944245550e-01 2.187251284e-01 -2.367217182e-01 3.46 7.215713733e-01 2.822722036e-01 -1.230515423e-01 3.48 7.439117067e-01 3.397508018e-01 -3.165796707e-02 3.50 7.669120541e-01 3.919518698e-01 6.287380863e-02 3.52 7.883577473e-01 4.394363575e-01 1.506077278e-01 3.54 8.082585319e-01 4.826573048e-01 2.319013444e-01 3.56 8.266271093e-01 5.220358087e-01 3.070562188e-01 3.58 8.434786370e-01 5.579915317e-01 3.763164060e-01 3.60 8.588300749e-01 5.909434035e-01 4.398694205e-01 3.62 8.726997869e-01 6.213040762e-01 4.978510054e-01 3.64 8.851089238e-01 6.494782452e-01 5.503660653e-01 3.66 8.960867324e-01 6.758538886e-01 5.975327558e-01 3.68 9.056635206e-01 6.962911566e-01 6.394596914e-01 3.70 9.138679674e-01 7.172435259e-01 6.762685063e-01 3.72 9.207040744e-01 7.363311149e-01 7.081582142e-01 3.74 9.261475565e-01 7.536639627e-01 7.354094790e-01 3.76 9.301650183e-01 7.693315339e-01 7.584011775e-01 3.78 9.327047390e-01 7.834038929e-01 7.776234797e-01 3.80 9.337058741e-01 7.959323743e-01 7.936710972e-01 3.82 9.331015053e-01 8.069490252e-01 8.072056648e-01 3.84 9.308182568e-01 8.164656306e-01 8.188898712e-01 3.86 9.267736777e-01 8.244743627e-01 8.293064192e-01 3.88 9.208601058e-01 8.309709971e-01 8.389044794e-01 3.90 9.129578049e-01 8.359553916e-01 8.479650419e-01 3.92 9.029567504e-01 8.394224976e-01 8.565857730e-01 3.94 8.907407599e-01 8.413636429e-01 8.647069584e-01 3.96 8.761830269e-01 8.417717272e-01 8.721723821e-01 3.98 8.591461972e-01 8.406424742e-01 8.787920384e-01 4.00 8.394810162e-01 8.379753100e-01 8.843916283e-01 4.02 8.170275696e-01 8.337742498e-01 8.888439203e-01 4.04 7.916136591e-01 8.280488694e-01 8.920817065e-01 4.06 7.630691686e-01 8.208152913e-01 8.940984992e-01 4.08 7.313029669e-01 8.120970030e-01 8.949406872e-01 4.10 6.962720015e-01 8.019259947e-01 8.946948017e-01 4.12 6.579570933e-01 7.903435877e-01 8.934723754e-01 4.14 6.163673819e-01 7.774010625e-01 8.913942165e-01 4.16 5.715453673e-01 7.631602881e-01 8.885849269e-01 4.18 5.235715236e-01 7.476952837e-01 8.851731105e-01 4.20 4.725683566e-01 7.310877241e-01 8.812833063e-01 4.22 4.186985443e-01 7.134035394e-01 8.770007055e-01 4.24 3.621764803e-01 6.947134353e-01 8.724010015e-01 4.26 3.032795567e-01 6.751033102e-01 8.614470979e-01 4.28 2.423890237e-01 6.546744446e-01 8.535795614e-01 4.30 1.799787469e-01 6.335442227e-01 8.448014974e-01 4.32 1.165904432e-01 6.118452860e-01 8.350698994e-01 4.34 5.282951692e-02 5.897253957e-01 8.243374222e-01 4.36 -1.064052770e-02 5.673458074e-01 8.125520623e-01 4.38 -7.310834999e-02 5.448795979e-01 7.996570490e-01 4.40 -1.338301281e-01 5.225083613e-01 7.855904967e-01 4.42 -1.920469715e-01 5.004185767e-01 7.702855100e-01 4.44 -2.461995256e-01 4.787955576e-01 7.536696130e-01 4.46 -2.902893078e-01 4.578166249e-01 7.356648676e-01 4.48 -3.195356125e-01 4.376422314e-01 7.161874790e-01 4.50 -3.322735762e-01 4.184061112e-01 6.951479709e-01 4.52 -3.295210703e-01 4.001923598e-01 6.724505287e-01 4.54 -3.143990287e-01 3.829504227e-01 6.480044983e-01 4.56 -2.914020809e-01 3.665583713e-01 6.217627098e-01 4.58 -2.655832756e-01 3.508294191e-01 5.937005317e-01 4.60 -2.417298953e-01 3.354974233e-01 5.638073275e-01 4.62 -2.236080542e-01 3.202224547e-01 5.320886635e-01 4.64 -2.133575323e-01 3.046051185e-01 4.985674550e-01 4.66 -2.111372605e-01 2.882118510e-01 4.632855584e-01 4.68 -2.148970223e-01 2.706108742e-01 4.263056325e-01 4.70 -2.208842962e-01 2.514128773e-01 3.877118308e-01 4.72 -2.249365905e-01 2.303148333e-01 3.476114655e-01 4.74 -2.234631402e-01 2.071355715e-01 3.061360941e-01 4.76 -2.142019625e-01 1.818395856e-01 2.634422984e-01 4.78 -1.966062907e-01 1.545434836e-01 2.197121878e-01 4.80 -1.717917988e-01 1.255031855e-01 1.751530569e-01 4.82 -1.420917338e-01 9.508685123e-02 1.299998196e-01 4.84 -1.103842559e-01 6.374156534e-02 8.451347096e-02 4.86 -7.941358441e-02 3.195518040e-02 3.898243397e-02 4.88 -5.130123327e-02 2.204676302e-04 -6.279633492e-03 4.90 -3.037287451e-02 -3.099320744e-02 -5.093312059e-02 4.92 -1.234489610e-02 -6.126143950e-02 -9.461613080e-02 4.94 8.609346588e-04 -9.022044027e-02 -1.369450559e-01 4.96 9.760728265e-03 -1.173849522e-01 -1.771438894e-01 4.98 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