# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Al # implementation = 2025--Sharifi-H--Fe-Ni-Al--LAMMPS--ipr1 # composition = Al3Ni # 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 2025-07-01 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 3.694524138e+02 nan nan 0.92 3.342067077e+02 nan nan 0.94 3.025816252e+02 nan nan 0.96 2.742189355e+02 nan nan 0.98 2.487711617e+02 3.770726188e+02 nan 1.00 2.259019290e+02 3.447530530e+02 nan 1.02 2.053381970e+02 3.154094930e+02 3.284463115e+02 1.04 1.868326043e+02 2.887897969e+02 3.003123462e+02 1.06 1.701610214e+02 2.646485157e+02 2.747811193e+02 1.08 1.551220992e+02 2.427521591e+02 2.516293112e+02 1.10 1.415361056e+02 2.228823411e+02 2.306409240e+02 1.12 1.292433511e+02 2.048373995e+02 2.116112238e+02 1.14 1.181024813e+02 1.884329517e+02 1.943490726e+02 1.16 1.079887196e+02 1.735017155e+02 1.786780822e+02 1.18 9.879210784e+01 1.598928481e+02 1.644369775e+02 1.20 9.041583380e+01 1.474709823e+02 1.514794000e+02 1.22 8.277468353e+01 1.361150897e+02 1.396733167e+02 1.24 7.579362871e+01 1.257172686e+02 1.289001841e+02 1.26 6.940655141e+01 1.161815175e+02 1.190539771e+02 1.28 6.355510755e+01 1.074225380e+02 1.100401505e+02 1.30 5.818772242e+01 9.936460430e+01 1.017745891e+02 1.32 5.325870857e+01 9.194049842e+01 9.418257901e+01 1.34 4.872750228e+01 8.509054455e+01 8.719782706e+01 1.36 4.455799973e+01 7.876173564e+01 8.076154385e+01 1.38 4.071797930e+01 7.290693889e+01 7.482159589e+01 1.40 3.717856758e+01 6.748418742e+01 6.933173356e+01 1.42 3.391383966e+01 6.245605189e+01 6.425089365e+01 1.44 3.090049112e+01 5.778908543e+01 5.954256724e+01 1.46 2.811752173e+01 5.345333522e+01 5.517421286e+01 1.48 2.554596342e+01 4.942191618e+01 5.111678512e+01 1.50 2.316864732e+01 4.567064126e+01 4.734431821e+01 1.52 2.097000320e+01 4.217769809e+01 4.383354701e+01 1.54 1.893588675e+01 3.892336590e+01 4.056357501e+01 1.56 1.705343032e+01 3.588976139e+01 3.751558501e+01 1.58 1.531091347e+01 3.306063730e+01 3.467258788e+01 1.60 1.369763850e+01 3.042120531e+01 3.201920380e+01 1.62 1.220382648e+01 2.795797613e+01 2.954147210e+01 1.64 1.082055502e+01 2.565862069e+01 2.722668678e+01 1.66 9.539683115e+00 2.351184939e+01 2.506325489e+01 1.68 8.353794328e+00 2.150730565e+01 2.304057434e+01 1.70 7.256137408e+00 1.963545204e+01 2.114892808e+01 1.72 6.240548788e+00 1.788746669e+01 1.937939236e+01 1.74 5.301393790e+00 1.625517734e+01 1.772375741e+01 1.76 4.433471731e+00 1.473100662e+01 1.617445824e+01 1.78 3.631950022e+00 1.330793192e+01 1.472451064e+01 1.80 2.892338467e+00 1.197943767e+01 1.336744780e+01 1.82 2.210467464e+00 1.073946820e+01 1.209728949e+01 1.84 1.582479386e+00 9.582395409e+00 1.090850569e+01 1.86 1.004795056e+00 8.502987924e+00 9.795979559e+00 1.88 4.740640393e-01 7.496383007e+00 8.754974546e+00 1.90 -1.285237024e-02 6.558061050e+00 7.781104923e+00 1.92 -4.588943082e-01 5.683822165e+00 6.870309332e+00 1.94 -8.668156228e-01 4.869762476e+00 6.018823624e+00 1.96 -1.239195363e+00 4.112232818e+00 5.223129572e+00 1.98 -1.578448527e+00 3.407798786e+00 4.479912873e+00 2.00 -1.886836136e+00 2.753224896e+00 3.786050436e+00 2.02 -2.166474670e+00 2.145464043e+00 3.138600629e+00 2.04 -2.419344573e+00 1.581649601e+00 2.534796065e+00 2.06 -2.647296069e+00 1.059100357e+00 1.972049281e+00 2.08 -2.852059067e+00 5.752994499e-01 1.447932156e+00 2.10 -3.035252125e+00 1.278765037e-01 9.601584695e-01 2.12 -3.198389226e+00 -2.853998375e-01 5.065769126e-01 2.14 -3.342886146e+00 -6.666290971e-01 8.516443268e-02 2.16 -3.470066453e+00 -1.017803827e+00 -3.059801913e-01 2.18 -3.581167140e+00 -1.340832221e+00 -6.686425081e-01 2.20 -3.677343943e+00 -1.637504061e+00 -1.004498355e+00 2.22 -3.759683215e+00 -1.909492381e+00 -1.315119596e+00 2.24 -3.829265146e+00 -2.158360568e+00 -1.601979650e+00 2.26 -3.887126316e+00 -2.385570557e+00 -1.866461027e+00 2.28 -3.934223753e+00 -2.592494294e+00 -2.109868130e+00 2.30 -3.971441409e+00 -2.780421311e+00 -2.333434537e+00 2.32 -3.999595899e+00 -2.950563838e+00 -2.538326902e+00 2.34 -4.019441778e+00 -3.104061546e+00 -2.725648562e+00 2.36 -4.031720103e+00 -3.241985977e+00 -2.896442956e+00 2.38 -4.037240144e+00 -3.365344709e+00 -3.051696854e+00 2.40 -4.036755297e+00 -3.475085231e+00 -3.192343398e+00 2.42 -4.030942477e+00 -3.572098592e+00 -3.319264985e+00 2.44 -4.020409421e+00 -3.657222806e+00 -3.433295991e+00 2.46 -4.005701323e+00 -3.731246045e+00 -3.535225335e+00 2.48 -3.987306882e+00 -3.794912658e+00 -3.625803468e+00 2.50 -3.965663794e+00 -3.848968262e+00 -3.705786823e+00 2.52 -3.941163746e+00 -3.894182062e+00 -3.775912185e+00 2.54 -3.914156954e+00 -3.931277697e+00 -3.836867417e+00 2.56 -3.884956285e+00 -3.960921810e+00 -3.889294392e+00 2.58 -3.853840993e+00 -3.984635617e+00 -3.933792160e+00 2.60 -3.821060112e+00 -4.010906891e+00 -3.970919901e+00 2.62 -3.786835533e+00 -4.028100037e+00 -4.001199646e+00 2.64 -3.751364786e+00 -4.033454570e+00 -4.025118823e+00 2.66 -3.714823567e+00 -4.033978064e+00 -4.043132621e+00 2.68 -3.677368020e+00 -4.030078686e+00 -4.055666179e+00 2.70 -3.639136798e+00 -4.022132642e+00 -4.063116630e+00 2.72 -3.600253212e+00 -4.010486714e+00 -4.065854999e+00 2.74 -3.565044301e+00 -3.995460600e+00 -4.064227962e+00 2.76 -3.567882388e+00 -3.977349069e+00 -4.058559494e+00 2.78 -3.565247914e+00 -3.956423945e+00 -4.049152390e+00 2.80 -3.524136073e+00 -3.932935930e+00 -4.036289684e+00 2.82 -3.482780233e+00 -3.907116291e+00 -4.020235976e+00 2.84 -3.441241092e+00 -3.879178402e+00 -4.001376281e+00 2.86 -3.399572803e+00 -3.849319171e+00 -3.987824424e+00 2.88 -3.357826349e+00 -3.817727098e+00 -3.998995480e+00 2.90 -3.316062007e+00 -3.784622060e+00 -3.980107034e+00 2.92 -3.274342303e+00 -3.750222561e+00 -3.951413701e+00 2.94 -3.232721468e+00 -3.714725278e+00 -3.921044565e+00 2.96 -3.191246522e+00 -3.678306910e+00 -3.889232444e+00 2.98 -3.149958341e+00 -3.641125960e+00 -3.856187209e+00 3.00 -3.108892388e+00 -3.603324360e+00 -3.822097744e+00 3.02 -3.068079363e+00 -3.565028966e+00 -3.787133738e+00 3.04 -3.027545807e+00 -3.526352821e+00 -3.751447358e+00 3.06 -2.987314627e+00 -3.487396645e+00 -3.715174774e+00 3.08 -2.947405588e+00 -3.448250477e+00 -3.678437570e+00 3.10 -2.907835740e+00 -3.408993244e+00 -3.641344051e+00 3.12 -2.868619809e+00 -3.369694995e+00 -3.603990432e+00 3.14 -2.829770549e+00 -3.330417445e+00 -3.566461947e+00 3.16 -2.791299054e+00 -3.291214792e+00 -3.528833855e+00 3.18 -2.753215038e+00 -3.252134454e+00 -3.491172376e+00 3.20 -2.715527079e+00 -3.213217758e+00 -3.453535545e+00 3.22 -2.678242845e+00 -3.174500560e+00 -3.415973997e+00 3.24 -2.641369285e+00 -3.136013815e+00 -3.378531687e+00 3.26 -2.604912795e+00 -3.097784095e+00 -3.341246550e+00 3.28 -2.568879364e+00 -3.059834066e+00 -3.304151109e+00 3.30 -2.533274699e+00 -3.022182915e+00 -3.267273024e+00 3.32 -2.498104324e+00 -2.984846747e+00 -3.230635604e+00 3.34 -2.463373659e+00 -2.947838937e+00 -3.194258267e+00 3.36 -2.429088083e+00 -2.911170462e+00 -3.158156960e+00 3.38 -2.395252973e+00 -2.874850190e+00 -3.122344552e+00 3.40 -2.361873726e+00 -2.838885151e+00 -3.086831176e+00 3.42 -2.328955762e+00 -2.803280779e+00 -3.051624556e+00 3.44 -2.296504504e+00 -2.768041133e+00 -3.016730295e+00 3.46 -2.264525347e+00 -2.733169097e+00 -2.982152135e+00 3.48 -2.233023603e+00 -2.698666554e+00 -2.947861617e+00 3.50 -2.202004434e+00 -2.664534559e+00 -2.913110601e+00 3.52 -2.171472764e+00 -2.630773475e+00 -2.876111019e+00 3.54 -2.141433178e+00 -2.597383110e+00 -2.840156591e+00 3.56 -2.111889815e+00 -2.564362832e+00 -2.807334833e+00 3.58 -2.082846239e+00 -2.531711676e+00 -2.774829269e+00 3.60 -2.054305314e+00 -2.499428435e+00 -2.742635678e+00 3.62 -2.026269063e+00 -2.467511743e+00 -2.710749366e+00 3.64 -1.998738537e+00 -2.435960145e+00 -2.679165278e+00 3.66 -1.971713682e+00 -2.404772160e+00 -2.647878081e+00 3.68 -1.945193210e+00 -2.373946333e+00 -2.616882247e+00 3.70 -1.919174488e+00 -2.343481277e+00 -2.586172127e+00 3.72 -1.893653441e+00 -2.313375709e+00 -2.555742005e+00 3.74 -1.868624472e+00 -2.283628471e+00 -2.525586161e+00 3.76 -1.844080413e+00 -2.254238554e+00 -2.495698910e+00 3.78 -1.820012499e+00 -2.225205099e+00 -2.466074649e+00 3.80 -1.796410374e+00 -2.196527403e+00 -2.436707888e+00 3.82 -1.773262127e+00 -2.168204910e+00 -2.407593281e+00 3.84 -1.750554368e+00 -2.140237192e+00 -2.378725649e+00 3.86 -1.728272329e+00 -2.112623931e+00 -2.350100001e+00 3.88 -1.706400003e+00 -2.085364883e+00 -2.321711552e+00 3.90 -1.684920305e+00 -2.058459840e+00 -2.293555732e+00 3.92 -1.663815263e+00 -2.031908588e+00 -2.265628200e+00 3.94 -1.643066229e+00 -2.005710855e+00 -2.237924847e+00 3.96 -1.622654100e+00 -1.979866254e+00 -2.210441805e+00 3.98 -1.602559555e+00 -1.954374220e+00 -2.183175445e+00 4.00 -1.582763289e+00 -1.929233953e+00 -2.156122379e+00 4.02 -1.562958600e+00 -1.904444349e+00 -2.129279460e+00 4.04 -1.535717195e+00 -1.880003937e+00 -2.102643775e+00 4.06 -1.416213106e+00 -1.855910814e+00 -2.076212649e+00 4.08 -9.337000368e-01 -1.832162589e+00 -2.049983629e+00 4.10 -9.115617694e-01 -1.808756327e+00 -2.023954486e+00 4.12 -8.948813817e-01 -1.785688501e+00 -1.998123206e+00 4.14 -8.784904028e-01 -1.762954962e+00 -1.972487981e+00 4.16 -8.623840415e-01 -1.740550902e+00 -1.947047202e+00 4.18 -8.465575783e-01 -1.718470849e+00 -1.921799449e+00 4.20 -8.310063658e-01 -1.696708663e+00 -1.896743484e+00 4.22 -8.157258287e-01 -1.675257547e+00 -1.871878240e+00 4.24 -8.007114638e-01 -1.654110081e+00 -1.847202813e+00 4.26 -7.859588393e-01 -1.633365609e+00 -1.822716453e+00 4.28 -7.714635952e-01 -1.615411813e+00 -1.798418550e+00 4.30 -7.572214420e-01 -1.604445010e+00 -1.774308632e+00 4.32 -7.432281609e-01 -1.566323176e+00 -1.750386348e+00 4.34 -7.294796022e-01 -1.527187583e+00 -1.726651465e+00 4.36 -7.159716855e-01 -1.509090193e+00 -1.703103852e+00 4.38 -7.027003982e-01 -1.491105914e+00 -1.679743480e+00 4.40 -6.899019081e-01 -1.473236069e+00 -1.656570403e+00 4.42 -6.816992443e-01 -1.455481965e+00 -1.633584757e+00 4.44 -6.787371824e-01 -1.437844891e+00 -1.610786749e+00 4.46 -6.017709817e-01 -1.420326120e+00 -1.588176647e+00 4.48 -4.791821953e-01 -1.402926902e+00 -1.565754777e+00 4.50 -4.737889353e-01 -1.385648468e+00 -1.543521510e+00 4.52 -4.684219591e-01 -1.368492026e+00 -1.521477258e+00 4.54 -4.630817599e-01 -1.351458762e+00 -1.499622468e+00 4.56 -4.577688336e-01 -1.334549834e+00 -1.477957612e+00 4.58 -4.524836777e-01 -1.317766374e+00 -1.456483183e+00 4.60 -4.472267896e-01 -1.301109489e+00 -1.435199689e+00 4.62 -4.419986663e-01 -1.284580251e+00 -1.414107646e+00 4.64 -4.367998025e-01 -1.268179704e+00 -1.393207573e+00 4.66 -4.316306903e-01 -1.251908857e+00 -1.372499990e+00 4.68 -4.264918174e-01 -1.235768686e+00 -1.351985408e+00 4.70 -4.213836669e-01 -1.219760128e+00 -1.331664327e+00 4.72 -4.163067156e-01 -1.203884085e+00 -1.311537235e+00 4.74 -4.112614339e-01 -1.188141418e+00 -1.291604597e+00 4.76 -4.062482844e-01 -1.172532947e+00 -1.271866858e+00 4.78 -4.012677213e-01 -1.157059454e+00 -1.252324437e+00 4.80 -3.963201897e-01 -1.141721673e+00 -1.232977723e+00 4.82 -3.914061249e-01 -1.126520300e+00 -1.213827075e+00 4.84 -3.865259516e-01 -1.111455982e+00 -1.194872814e+00 4.86 -3.816800835e-01 -1.096529325e+00 -1.176115228e+00 4.88 -3.768689225e-01 -1.081740886e+00 -1.157554564e+00 4.90 -3.720928586e-01 -1.067091178e+00 -1.139191028e+00 4.92 -3.664771436e-01 -1.051053449e+00 -1.119564281e+00 4.94 -3.488766259e-01 -1.013705096e+00 -1.079624599e+00 4.96 -2.904184957e-01 -8.935897681e-01 -9.583877936e-01 4.98 -1.562908217e-01 -5.550277934e-01 -6.068462569e-01 5.00 -1.866094179e-22 -7.232125368e-22 -6.336330556e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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