# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Al-C # implementation = 2019--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = Al3Ti # 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 2.171296538e+03 nan nan 0.80 1.970386521e+03 nan nan 0.82 1.788926660e+03 nan nan 0.84 1.625860509e+03 nan nan 0.86 1.479963362e+03 2.079417925e+03 nan 0.88 1.349507910e+03 1.902806638e+03 2.107975982e+03 0.90 1.232620299e+03 1.744475123e+03 1.934045164e+03 0.92 1.126678402e+03 1.601352771e+03 1.777174666e+03 0.94 1.030254185e+03 1.470828894e+03 1.634534128e+03 0.96 9.427387654e+02 1.352099511e+03 1.504621770e+03 0.98 8.629448676e+02 1.243791213e+03 1.385440017e+03 1.00 7.900680467e+02 1.143817068e+03 1.275968439e+03 1.02 7.230964030e+02 1.051452628e+03 1.175707166e+03 1.04 6.613165818e+02 9.663946164e+02 1.084223913e+03 1.06 6.042621727e+02 8.890716402e+02 9.997770281e+02 1.08 5.521837145e+02 8.194118956e+02 9.218550276e+02 1.10 5.053088207e+02 7.560275583e+02 8.505258104e+02 1.12 4.631740741e+02 6.976600214e+02 7.853568425e+02 1.14 4.247863446e+02 6.437712941e+02 7.252870097e+02 1.16 3.898245440e+02 5.943033157e+02 6.696392475e+02 1.18 3.579608973e+02 5.487974424e+02 6.182198429e+02 1.20 3.286028705e+02 5.067874441e+02 5.709460113e+02 1.22 3.015290922e+02 4.679701042e+02 5.279340123e+02 1.24 2.764065461e+02 4.322014287e+02 4.889619763e+02 1.26 2.528594864e+02 3.989339022e+02 4.529964376e+02 1.28 2.308744296e+02 3.679931411e+02 4.193975373e+02 1.30 2.104951561e+02 3.392436343e+02 3.880293934e+02 1.32 1.918170240e+02 3.125988382e+02 3.587563025e+02 1.34 1.748132570e+02 2.879469286e+02 3.314808632e+02 1.36 1.595662208e+02 2.651983921e+02 3.062053523e+02 1.38 1.460672085e+02 2.442328010e+02 2.829095065e+02 1.40 1.338537134e+02 2.247728248e+02 2.617138234e+02 1.42 1.227216417e+02 2.068449483e+02 2.422654801e+02 1.44 1.126045523e+02 1.905237745e+02 2.241592263e+02 1.46 1.033001271e+02 1.755346398e+02 2.073420583e+02 1.48 9.466344006e+01 1.617909676e+02 1.917886263e+02 1.50 8.657187370e+01 1.490620724e+02 1.773581226e+02 1.52 7.899284763e+01 1.372659126e+02 1.639825685e+02 1.54 7.193790638e+01 1.263865982e+02 1.516162763e+02 1.56 6.540484343e+01 1.164095162e+02 1.400728305e+02 1.58 5.939176568e+01 1.072805958e+02 1.292989675e+02 1.60 5.391931372e+01 9.889779805e+01 1.192971868e+02 1.62 4.898815315e+01 9.119967061e+01 1.100459740e+02 1.64 4.447675981e+01 8.408877503e+01 1.015590535e+02 1.66 4.031118516e+01 7.752619895e+01 9.378935328e+01 1.68 3.647246104e+01 7.145524696e+01 8.654480836e+01 1.70 3.295195284e+01 6.583149196e+01 7.975916664e+01 1.72 2.973945509e+01 6.061453927e+01 7.342573523e+01 1.74 2.680343086e+01 5.575116903e+01 6.751973430e+01 1.76 2.409853112e+01 5.115820605e+01 6.200272121e+01 1.78 2.161547210e+01 4.681925008e+01 5.687044534e+01 1.80 1.934504897e+01 4.273863248e+01 5.211788213e+01 1.82 1.727166674e+01 3.889936838e+01 4.772473194e+01 1.84 1.536429008e+01 3.528903517e+01 4.363747856e+01 1.86 1.358338367e+01 3.192077309e+01 3.984711376e+01 1.88 1.190039790e+01 2.878903791e+01 3.634804671e+01 1.90 1.031744388e+01 2.590241710e+01 3.313326449e+01 1.92 8.831410066e+00 2.326938945e+01 3.018029398e+01 1.94 7.444981427e+00 2.088616443e+01 2.744226953e+01 1.96 6.158370627e+00 1.869174565e+01 2.489989093e+01 1.98 4.970508088e+00 1.666721996e+01 2.253227519e+01 2.00 3.885837520e+00 1.481153183e+01 2.033464597e+01 2.02 2.908450750e+00 1.312063043e+01 1.827623777e+01 2.04 2.033645144e+00 1.157589786e+01 1.633953894e+01 2.06 1.253897434e+00 1.016845958e+01 1.451344509e+01 2.08 5.626379246e-01 8.897719934e+00 1.280698985e+01 2.10 -3.989738471e-02 7.760715395e+00 1.123017785e+01 2.12 -5.516859238e-01 6.744257191e+00 9.792165853e+00 2.14 -9.729337216e-01 5.793740383e+00 8.497179043e+00 2.16 -1.307097742e+00 4.899441827e+00 7.308971513e+00 2.18 -1.582111052e+00 4.061075030e+00 6.205452085e+00 2.20 -1.824463817e+00 3.278063500e+00 5.186643260e+00 2.22 -2.037590480e+00 2.549529944e+00 4.252851045e+00 2.24 -2.224615824e+00 1.874316518e+00 3.404464872e+00 2.26 -2.388225227e+00 1.251035496e+00 2.641640443e+00 2.28 -2.530468971e+00 6.781497950e-01 1.963885583e+00 2.30 -2.653171128e+00 1.540800621e-01 1.369609067e+00 2.32 -2.758016832e+00 -3.226718792e-01 8.557241832e-01 2.34 -2.846561976e+00 -7.534044802e-01 4.151574431e-01 2.36 -2.920242679e+00 -1.139136046e+00 1.961716660e-02 2.38 -2.980384084e+00 -1.480606656e+00 -3.402883672e-01 2.40 -3.028208513e+00 -1.779044593e+00 -6.666316279e-01 2.42 -3.064843046e+00 -2.035057244e+00 -9.614135307e-01 2.44 -3.091326551e+00 -2.249092575e+00 -1.226625750e+00 2.46 -3.108616204e+00 -2.422423696e+00 -1.467483512e+00 2.48 -3.117593550e+00 -2.557988911e+00 -1.687255173e+00 2.50 -3.119070114e+00 -2.671702400e+00 -1.886950311e+00 2.52 -3.113792616e+00 -2.770211201e+00 -2.067632854e+00 2.54 -3.102447805e+00 -2.854738511e+00 -2.230413499e+00 2.56 -3.085666944e+00 -2.926420081e+00 -2.376434717e+00 2.58 -3.064029969e+00 -2.986310211e+00 -2.506849543e+00 2.60 -3.038069348e+00 -3.035387344e+00 -2.622795675e+00 2.62 -3.008273657e+00 -3.074559279e+00 -2.725366787e+00 2.64 -2.975090901e+00 -3.104668040e+00 -2.815583422e+00 2.66 -2.938931583e+00 -3.126494404e+00 -2.894366271e+00 2.68 -2.900171562e+00 -3.140762135e+00 -2.962514943e+00 2.70 -2.859154692e+00 -3.148141925e+00 -3.020695326e+00 2.72 -2.816195269e+00 -3.149255069e+00 -3.069438185e+00 2.74 -2.771580308e+00 -3.144676892e+00 -3.109150611e+00 2.76 -2.725571639e+00 -3.134939946e+00 -3.139709401e+00 2.78 -2.678407857e+00 -3.120536984e+00 -3.160075914e+00 2.80 -2.630306132e+00 -3.101923741e+00 -3.170480271e+00 2.82 -2.581284178e+00 -3.079521515e+00 -3.171335291e+00 2.84 -2.528175375e+00 -3.053719587e+00 -3.163169512e+00 2.86 -2.469934844e+00 -3.024876408e+00 -3.146668221e+00 2.88 -2.406832441e+00 -2.992254492e+00 -3.124912887e+00 2.90 -2.339188215e+00 -2.955371481e+00 -3.099836188e+00 2.92 -2.267375560e+00 -2.914785530e+00 -3.071779331e+00 2.94 -2.191823894e+00 -2.871082776e+00 -3.041057999e+00 2.96 -2.112609265e+00 -2.824860757e+00 -3.007964090e+00 2.98 -2.025329641e+00 -2.776711599e+00 -2.972767350e+00 3.00 -1.929504605e+00 -2.726843963e+00 -2.935716890e+00 3.02 -1.826357002e+00 -2.674852091e+00 -2.897042609e+00 3.04 -1.717289051e+00 -2.621171803e+00 -2.856956523e+00 3.06 -1.603886677e+00 -2.566267386e+00 -2.815653998e+00 3.08 -1.487915946e+00 -2.510575875e+00 -2.773314914e+00 3.10 -1.371308978e+00 -2.454499586e+00 -2.730104742e+00 3.12 -1.256136620e+00 -2.398401386e+00 -2.686175552e+00 3.14 -1.144565149e+00 -2.342602401e+00 -2.641666956e+00 3.16 -1.038794585e+00 -2.287381647e+00 -2.596706984e+00 3.18 -9.409772848e-01 -2.232976973e+00 -2.551412910e+00 3.20 -8.531176531e-01 -2.179586654e+00 -2.505892010e+00 3.22 -7.769573612e-01 -2.127129351e+00 -2.460242279e+00 3.24 -7.138552217e-01 -2.075113367e+00 -2.414553096e+00 3.26 -6.646758603e-01 -2.023753092e+00 -2.368905849e+00 3.28 -6.297048943e-01 -1.973281284e+00 -2.323374507e+00 3.30 -6.086066885e-01 -1.923896776e+00 -2.278026165e+00 3.32 -5.964339306e-01 -1.873917029e+00 -2.230593497e+00 3.34 -5.852624183e-01 -1.821158557e+00 -2.178258907e+00 3.36 -5.742106575e-01 -1.766148445e+00 -2.121663043e+00 3.38 -5.632824055e-01 -1.709473343e+00 -2.061519385e+00 3.40 -5.524810412e-01 -1.651751449e+00 -1.998583314e+00 3.42 -5.418095868e-01 -1.593620512e+00 -1.933641706e+00 3.44 -5.312707279e-01 -1.535725618e+00 -1.867501676e+00 3.46 -5.203304108e-01 -1.477556687e+00 -1.799910893e+00 3.48 -5.071882722e-01 -1.415769712e+00 -1.727967397e+00 3.50 -4.918470322e-01 -1.350800942e+00 -1.652189963e+00 3.52 -4.744866341e-01 -1.283113123e+00 -1.573415721e+00 3.54 -4.552986533e-01 -1.213138465e+00 -1.492471015e+00 3.56 -4.344849735e-01 -1.141640575e+00 -1.410160551e+00 3.58 -4.122564966e-01 -1.069356178e+00 -1.327254483e+00 3.60 -3.888318531e-01 -9.969871407e-01 -1.244474495e+00 3.62 -3.644360817e-01 -9.251926273e-01 -1.162480308e+00 3.64 -3.392992487e-01 -8.545818018e-01 -1.081858269e+00 3.66 -3.136549773e-01 -7.857075414e-01 -1.003113715e+00 3.68 -2.877388622e-01 -7.190615650e-01 -9.266685496e-01 3.70 -2.617867475e-01 -6.550713024e-01 -8.528648822e-01 3.72 -2.360328504e-01 -5.929696586e-01 -7.803851889e-01 3.74 -2.107077212e-01 -5.315852933e-01 -7.073827130e-01 3.76 -1.860360376e-01 -4.714302873e-01 -6.344308236e-01 3.78 -1.622342398e-01 -4.130219609e-01 -5.621636840e-01 3.80 -1.395080301e-01 -3.568659029e-01 -4.912563217e-01 3.82 -1.180497682e-01 -3.034514026e-01 -4.224206747e-01 3.84 -9.803581367e-02 -2.532461270e-01 -3.563985597e-01 3.86 -7.962387993e-02 -2.066898868e-01 -2.939507664e-01 3.88 -6.295047987e-02 -1.641873739e-01 -2.358415491e-01 3.90 -4.812855599e-02 -1.260998429e-01 -1.828180322e-01 3.92 -3.524539631e-02 -9.273586109e-02 -1.355845146e-01 3.94 -2.436094139e-02 -6.434145583e-02 -9.477238610e-02 3.96 -1.550658368e-02 -4.109024222e-02 -6.090729392e-02 3.98 -8.684549357e-03 -2.307436071e-02 -3.437620785e-02 4.00 -3.867932745e-03 -1.029724360e-02 -1.539788283e-02 4.02 -1.001426444e-03 -2.669284592e-03 -4.000630123e-03 4.04 -2.756703593e-06 -7.351200394e-06 -1.102677506e-05 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 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