# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Hennig-R-G-Lenosky-T-J-Trinkle-D-R-et-al--Ti # implementation = 2008--Hennig-R-G--Ti--LAMMPS--ipr1 # composition = Ti # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan 2.627320442e+02 nan nan nan nan 0.86 nan nan nan nan nan 2.481193636e+02 nan nan nan nan 0.88 nan nan nan nan nan 2.329590066e+02 nan nan 2.062108300e+02 nan 0.90 nan nan nan nan nan 2.164021198e+02 nan nan 2.008047081e+02 nan 0.92 nan nan nan nan nan 2.003764406e+02 nan nan 1.963601913e+02 nan 0.94 nan nan nan nan nan 1.857484333e+02 nan nan 1.925234590e+02 nan 0.96 nan 2.387704549e+02 nan nan nan 1.730195203e+02 nan nan 1.896506115e+02 nan 0.98 nan 2.244925701e+02 nan nan nan 1.625272130e+02 1.929449022e+02 nan 1.854963554e+02 1.929275413e+02 1.00 nan 2.124906699e+02 nan nan nan 1.525406053e+02 1.833739570e+02 nan 1.790726547e+02 1.950531220e+02 1.02 nan 2.017690417e+02 nan nan nan 1.403013452e+02 1.806786670e+02 nan 1.704095850e+02 1.983545040e+02 1.04 nan 1.918814164e+02 nan nan nan 1.251153531e+02 1.830445252e+02 nan 1.604064274e+02 2.002770505e+02 1.06 nan 1.814299194e+02 2.184628197e+02 nan nan 1.090959377e+02 1.861216046e+02 2.339597991e+02 1.492169692e+02 1.992367512e+02 1.08 2.356317548e+02 1.710480488e+02 1.871759321e+02 2.335543566e+02 2.341601551e+02 9.205576614e+01 1.876429157e+02 2.183622009e+02 1.368223261e+02 1.943032562e+02 1.10 2.212685726e+02 1.618352134e+02 1.638038456e+02 2.156728497e+02 2.123848371e+02 7.674540534e+01 1.872179935e+02 2.060355059e+02 1.237525614e+02 1.869247583e+02 1.12 2.091435407e+02 1.527270330e+02 1.510075335e+02 2.015325584e+02 1.953283444e+02 6.449539657e+01 1.849400770e+02 1.964972806e+02 1.106261690e+02 1.781678591e+02 1.14 1.985216875e+02 1.438194992e+02 1.467399758e+02 1.902789525e+02 1.828436144e+02 5.576859492e+01 1.807280929e+02 1.878584993e+02 9.828022757e+01 1.691547853e+02 1.16 1.894885307e+02 1.364242519e+02 1.462897407e+02 1.807514090e+02 1.734099303e+02 4.946664895e+01 1.743898996e+02 1.795854272e+02 8.690979305e+01 1.596629149e+02 1.18 1.818992997e+02 1.299014185e+02 1.479943535e+02 1.727520791e+02 1.667723214e+02 4.429483519e+01 1.660812043e+02 1.706248081e+02 7.685515144e+01 1.487685725e+02 1.20 1.738884167e+02 1.240526734e+02 1.514788509e+02 1.652892804e+02 1.615103843e+02 4.056648422e+01 1.560831690e+02 1.609307852e+02 6.872122835e+01 1.362473097e+02 1.22 1.639108820e+02 1.194803777e+02 1.546116759e+02 1.580616096e+02 1.567829541e+02 3.770599429e+01 1.451338471e+02 1.515425947e+02 6.234707612e+01 1.226205146e+02 1.24 1.524966065e+02 1.164985438e+02 1.561757778e+02 1.508618157e+02 1.518847864e+02 3.467723453e+01 1.333127606e+02 1.432590870e+02 5.707152151e+01 1.084056033e+02 1.26 1.431724259e+02 1.140609235e+02 1.556522515e+02 1.449280011e+02 1.478674652e+02 3.135740663e+01 1.207763190e+02 1.368305857e+02 5.262386886e+01 9.550367414e+01 1.28 1.359274156e+02 1.111397200e+02 1.528122749e+02 1.403428420e+02 1.446950321e+02 2.795963476e+01 1.074160087e+02 1.321169051e+02 4.854781701e+01 8.468941472e+01 1.30 1.310683330e+02 1.070110613e+02 1.484565725e+02 1.372355958e+02 1.422532765e+02 2.490137771e+01 9.391078980e+01 1.289343805e+02 4.433791574e+01 7.638108916e+01 1.32 1.281164659e+02 1.014707064e+02 1.429238703e+02 1.352525432e+02 1.403406563e+02 2.200411375e+01 8.158132882e+01 1.267771028e+02 4.022115453e+01 7.022691022e+01 1.34 1.264510853e+02 9.489533720e+01 1.365509419e+02 1.337926723e+02 1.386497727e+02 1.934766612e+01 7.077940540e+01 1.247036573e+02 3.635487097e+01 6.553435713e+01 1.36 1.247953607e+02 8.757452697e+01 1.297896559e+02 1.317858814e+02 1.363264363e+02 1.797658370e+01 6.143553846e+01 1.221411942e+02 3.279071093e+01 6.169450715e+01 1.38 1.224745867e+02 7.983229280e+01 1.231730954e+02 1.287468073e+02 1.330788465e+02 1.696938573e+01 5.316748110e+01 1.187578891e+02 2.955786300e+01 5.797865119e+01 1.40 1.192862835e+02 7.191787336e+01 1.168950287e+02 1.248280815e+02 1.289970553e+02 1.605834380e+01 4.579145840e+01 1.143922389e+02 2.669348238e+01 5.363728752e+01 1.42 1.155188363e+02 6.386820373e+01 1.108531657e+02 1.202505335e+02 1.242208446e+02 1.521217107e+01 3.940073488e+01 1.090826202e+02 2.412466772e+01 4.923294315e+01 1.44 1.111219991e+02 5.559864728e+01 1.045747883e+02 1.149651040e+02 1.185952278e+02 1.439602205e+01 3.381131179e+01 1.028668629e+02 2.168888968e+01 4.518991613e+01 1.46 1.057715589e+02 4.724457818e+01 9.761008758e+01 1.088783873e+02 1.120436553e+02 1.359147204e+01 2.923532128e+01 9.604252292e+01 1.935222783e+01 4.149841411e+01 1.48 9.919421895e+01 3.907936072e+01 8.964491301e+01 1.018944081e+02 1.045085663e+02 1.283361461e+01 2.555995884e+01 8.870757560e+01 1.717816878e+01 3.801743829e+01 1.50 9.209719492e+01 3.150887792e+01 8.134052426e+01 9.445671770e+01 9.645227216e+01 1.216719253e+01 2.260829953e+01 8.138870807e+01 1.531530724e+01 3.482840115e+01 1.52 8.489371631e+01 2.473694662e+01 7.278985735e+01 8.680553710e+01 8.809145639e+01 1.154418284e+01 2.025687382e+01 7.437698850e+01 1.380161221e+01 3.194218762e+01 1.54 7.781145290e+01 1.883900407e+01 6.398600535e+01 7.909972306e+01 7.956255322e+01 1.088930269e+01 1.852942346e+01 6.783269023e+01 1.249315440e+01 2.929340348e+01 1.56 7.105172212e+01 1.379718179e+01 5.479425803e+01 7.171325045e+01 7.136468433e+01 1.021570012e+01 1.731028487e+01 6.180555855e+01 1.115362620e+01 2.685370291e+01 1.58 6.489876549e+01 9.778383378e+00 4.550586914e+01 6.484972321e+01 6.368174612e+01 9.376883173e+00 1.630870689e+01 5.633400117e+01 9.773473321e+00 2.474474174e+01 1.60 5.952116255e+01 7.636064376e+00 3.666619411e+01 5.857816786e+01 5.658665986e+01 8.305025014e+00 1.535210717e+01 5.127370219e+01 8.441075929e+00 2.298554437e+01 1.62 5.481227764e+01 6.007678888e+00 2.855979454e+01 5.280198755e+01 5.004970397e+01 7.082125188e+00 1.439887930e+01 4.634076223e+01 7.242941467e+00 2.148379228e+01 1.64 5.048350836e+01 4.634274660e+00 2.147409682e+01 4.734630780e+01 4.398902126e+01 5.802787573e+00 1.339007171e+01 4.138347107e+01 6.210037428e+00 2.011243438e+01 1.66 4.601296622e+01 3.490584264e+00 1.609817085e+01 4.201825167e+01 3.823421944e+01 4.697950461e+00 1.230980472e+01 3.621308396e+01 5.185021695e+00 1.868105847e+01 1.68 4.096664028e+01 2.519911923e+00 1.377697097e+01 3.659567996e+01 3.263885654e+01 3.755659825e+00 1.123516094e+01 3.093076530e+01 4.109238179e+00 1.710699899e+01 1.70 3.576569062e+01 1.695194687e+00 1.180969736e+01 3.136057820e+01 2.742198350e+01 2.889599702e+00 1.017846166e+01 2.574294589e+01 2.981851813e+00 1.534565309e+01 1.72 3.051929564e+01 9.995100925e-01 9.962841841e+00 2.634416549e+01 2.258375087e+01 2.076204734e+00 9.138696255e+00 2.083612507e+01 1.918647706e+00 1.339590397e+01 1.74 2.529554851e+01 4.120427101e-01 8.193854873e+00 2.150993456e+01 1.804207685e+01 1.320475235e+00 8.148722461e+00 1.625673936e+01 1.051008695e+00 1.130407795e+01 1.76 2.024034781e+01 -5.286890137e-02 6.531372488e+00 1.691274116e+01 1.383382056e+01 7.203914704e-01 7.257781413e+00 1.203587582e+01 3.006868425e-01 9.173391991e+00 1.78 1.555190676e+01 -3.816206875e-01 5.058547615e+00 1.270567788e+01 1.009691305e+01 3.925461087e-01 6.444915045e+00 8.200645472e+00 -3.649622277e-01 7.154784292e+00 1.80 1.124350567e+01 -6.071693021e-01 3.766572014e+00 8.895054745e+00 7.419413194e+00 1.738638229e-01 5.681906544e+00 5.003533372e+00 -9.482674127e-01 5.323954118e+00 1.82 7.303940214e+00 -5.322276217e-01 2.647206724e+00 5.906676658e+00 5.604098139e+00 -1.350348249e-02 4.935929332e+00 3.436507252e+00 -1.456901272e+00 3.602169984e+00 1.84 4.498689369e+00 -3.576414728e-01 1.689552882e+00 4.253553843e+00 4.101489506e+00 -1.932442799e-01 4.188784444e+00 2.239773544e+00 -1.912786087e+00 1.895316478e+00 1.86 3.043840930e+00 -2.175087927e-01 9.049748971e-01 2.928794409e+00 2.832935203e+00 -3.820977616e-01 3.418647927e+00 1.276351802e+00 -2.312702074e+00 4.326422164e-01 1.88 1.942115761e+00 -1.199526976e-01 2.863241463e-01 1.831356596e+00 1.750536043e+00 -5.921356771e-01 2.610544762e+00 4.729215955e-01 -2.655989984e+00 -3.904523535e-01 1.90 1.021576350e+00 -1.332368006e-01 -1.889972406e-01 9.149056964e-01 8.435326229e-01 -8.370719789e-01 1.784835089e+00 -1.898947150e-01 -2.949111517e+00 -1.044880993e+00 1.92 2.610539517e-01 -1.878601027e-01 -5.257077065e-01 1.586267864e-01 9.620326401e-02 -1.119153921e+00 9.863881678e-01 -7.284595593e-01 -3.202235885e+00 -1.576863193e+00 1.94 -3.581875778e-01 -1.899140994e-01 -6.071270654e-01 -4.544482917e-01 -5.085103977e-01 -1.368580688e+00 2.371180230e-01 -1.158029992e+00 -3.415912380e+00 -1.998183248e+00 1.96 -8.549398098e-01 -1.725800173e-01 -1.216885316e-01 -9.423374437e-01 -9.889064884e-01 -1.561809834e+00 -4.515896413e-01 -1.494850263e+00 -3.590567227e+00 -2.316933394e+00 1.98 -1.251444691e+00 -8.303831235e-02 5.442700692e-01 -1.326171126e+00 -1.365453405e+00 -1.688461719e+00 -1.061712297e+00 -1.743692131e+00 -3.726767541e+00 -2.534694745e+00 2.00 -1.569248521e+00 2.656354360e-03 1.282667615e+00 -1.626895984e+00 -1.657836270e+00 -1.743542782e+00 -1.585447239e+00 -1.875026367e+00 -3.822323888e+00 -2.696141843e+00 2.02 -1.804453908e+00 4.455465569e-02 2.003856869e+00 -1.844333892e+00 -1.877630267e+00 -1.734856429e+00 -2.044349657e+00 -1.927428895e+00 -3.886368963e+00 -2.815128147e+00 2.04 -1.925856341e+00 3.045114267e-02 2.638269837e+00 -1.973300508e+00 -1.993651233e+00 -1.673402246e+00 -2.449576797e+00 -1.720548523e+00 -3.928146073e+00 -2.833530000e+00 2.06 -1.972522028e+00 -5.038387698e-02 3.143060264e+00 -2.010423451e+00 -2.032514159e+00 -1.570773532e+00 -2.750727477e+00 -1.093819359e+00 -3.953264953e+00 -2.700118407e+00 2.08 -1.759664791e+00 -2.108173206e-01 3.457937300e+00 -1.875974868e+00 -1.969150503e+00 -1.484250274e+00 -2.971334249e+00 -5.600845471e-01 -3.969026549e+00 -2.573498667e+00 2.10 -1.110535465e+00 -4.696011127e-01 3.517164630e+00 -1.174016196e+00 -1.374898356e+00 -1.429228102e+00 -3.143127342e+00 -1.578493595e-01 -3.978012775e+00 -2.574665536e+00 2.12 -5.488966005e-01 -8.226512639e-01 3.269333093e+00 -4.806009462e-01 -6.448834260e-01 -1.395437090e+00 -3.287028030e+00 1.130137844e-01 -3.980953002e+00 -2.710925922e+00 2.14 -1.312022798e-01 -1.256793423e+00 2.688825164e+00 8.358806842e-02 -1.847541144e-02 -1.373475364e+00 -3.425349414e+00 2.913530696e-01 -3.978352831e+00 -2.976876008e+00 2.16 1.275798508e-01 -1.750050246e+00 1.791835672e+00 4.826284846e-01 4.526951804e-01 -1.348038392e+00 -3.557177781e+00 4.132205758e-01 -3.967029151e+00 -3.328427621e+00 2.18 2.472694406e-01 -2.272488089e+00 6.359192397e-01 7.068894867e-01 7.343347509e-01 -1.303044460e+00 -3.679628072e+00 4.686115409e-01 -3.938119929e+00 -3.595735184e+00 2.20 2.910563611e-01 -2.761637173e+00 -6.524504470e-01 7.847578571e-01 8.239373078e-01 -1.228839261e+00 -3.790531183e+00 4.644093738e-01 -3.883677741e+00 -3.742301430e+00 2.22 3.369848691e-01 -3.065929423e+00 -1.924671524e+00 7.719474763e-01 7.507022397e-01 -1.125056616e+00 -3.888147350e+00 4.119722092e-01 -3.798173638e+00 -3.826918208e+00 2.24 3.663551986e-01 -3.266897194e+00 -2.631153340e+00 6.739117505e-01 5.293036351e-01 -9.983951770e-01 -3.970968023e+00 2.878786866e-01 -3.680226199e+00 -3.892071491e+00 2.26 3.584163608e-01 -3.442672856e+00 -2.892785918e+00 5.006012247e-01 2.006948309e-01 -8.615254553e-01 -4.038475846e+00 6.040071240e-02 -3.536821176e+00 -3.939784384e+00 2.28 2.970607487e-01 -3.608123209e+00 -3.078378302e+00 2.779759549e-01 -1.664496127e-01 -7.307412594e-01 -4.089808500e+00 -2.881952145e-01 -3.401469219e+00 -3.970050461e+00 2.30 1.699928753e-01 -3.761461694e+00 -3.191187785e+00 4.398261551e-02 -4.837528180e-01 -6.256192261e-01 -4.124372956e+00 -7.598896458e-01 -3.281186288e+00 -3.984064190e+00 2.32 -5.106721244e-02 -3.899421044e+00 -3.264405563e+00 -2.211909434e-01 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