# 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 = AlC3 # 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 3.426466492e+02 nan nan 0.80 3.084265621e+02 nan nan 0.82 2.776223038e+02 nan nan 0.84 2.498724828e+02 nan nan 0.86 2.246139614e+02 3.267819410e+02 nan 0.88 2.018887119e+02 2.960361872e+02 3.362589137e+02 0.90 1.817441615e+02 2.685083012e+02 3.054146112e+02 0.92 1.639795610e+02 2.440982709e+02 2.778824455e+02 0.94 1.482011989e+02 2.224184982e+02 2.530277706e+02 0.96 1.341292610e+02 2.027982939e+02 2.304908382e+02 0.98 1.215785292e+02 1.847012984e+02 2.100613229e+02 1.00 1.101260343e+02 1.678005960e+02 1.913993531e+02 1.02 9.941362301e+01 1.521838732e+02 1.744180034e+02 1.04 8.938347919e+01 1.379205202e+02 1.591126241e+02 1.06 7.999045225e+01 1.250676296e+02 1.453515737e+02 1.08 7.131087028e+01 1.136408709e+02 1.329237092e+02 1.10 6.328531648e+01 1.034592030e+02 1.212764928e+02 1.12 5.600715844e+01 9.436080257e+01 1.102549180e+02 1.14 4.974899031e+01 8.614871037e+01 9.993220167e+01 1.16 4.466216063e+01 7.834504746e+01 9.036161743e+01 1.18 4.022117860e+01 7.094237228e+01 8.159368492e+01 1.20 3.633380719e+01 6.398103906e+01 7.371360769e+01 1.22 3.289224357e+01 5.748763263e+01 6.687117368e+01 1.24 2.967726457e+01 5.148315905e+01 6.114951231e+01 1.26 2.666637747e+01 4.603052604e+01 5.610515744e+01 1.28 2.386110200e+01 4.119260924e+01 5.140032255e+01 1.30 2.126067505e+01 3.705800551e+01 4.701734678e+01 1.32 1.886308178e+01 3.365454792e+01 4.292353622e+01 1.34 1.666736845e+01 3.067584862e+01 3.903642899e+01 1.36 1.467643973e+01 2.794217397e+01 3.536019993e+01 1.38 1.289835487e+01 2.543506880e+01 3.190602119e+01 1.40 1.134318117e+01 2.312116519e+01 2.868443879e+01 1.42 1.001404508e+01 2.098072204e+01 2.570744795e+01 1.44 8.845852250e+00 1.900084376e+01 2.298949921e+01 1.46 7.778954277e+00 1.713376989e+01 2.055071503e+01 1.48 6.804483768e+00 1.536255246e+01 1.836353397e+01 1.50 5.914738686e+00 1.369026360e+01 1.643799849e+01 1.52 5.096294628e+00 1.211546967e+01 1.479157168e+01 1.54 4.301435088e+00 1.063710524e+01 1.334585746e+01 1.56 3.518298718e+00 9.253183110e+00 1.201353192e+01 1.58 2.755609340e+00 7.961603013e+00 1.078650947e+01 1.60 2.016581832e+00 6.763080679e+00 9.649915709e+00 1.62 1.296907693e+00 5.653980402e+00 8.568553090e+00 1.64 5.846624640e-01 4.630344424e+00 7.540949903e+00 1.66 -1.378920833e-01 3.694718874e+00 6.568412410e+00 1.68 -8.880393404e-01 2.869986511e+00 5.649811589e+00 1.70 -1.667019815e+00 2.172161855e+00 4.784035945e+00 1.72 -2.431238804e+00 1.543318746e+00 3.968885142e+00 1.74 -3.066386568e+00 9.362396297e-01 3.199670832e+00 1.76 -3.429725949e+00 3.451871544e-01 2.471072037e+00 1.78 -3.647564521e+00 -2.314603188e-01 1.783009695e+00 1.80 -3.798244240e+00 -7.842971640e-01 1.139100738e+00 1.82 -3.898573540e+00 -1.288802699e+00 5.487717465e-01 1.84 -3.984700873e+00 -1.706045236e+00 2.801292727e-02 1.86 -4.058656198e+00 -1.997332382e+00 -4.067675520e-01 1.88 -4.123784906e+00 -2.195642523e+00 -7.564043340e-01 1.90 -4.181888622e+00 -2.371681202e+00 -1.062473195e+00 1.92 -4.235696785e+00 -2.529342013e+00 -1.350279629e+00 1.94 -4.289149625e+00 -2.674639385e+00 -1.618176171e+00 1.96 -4.347098980e+00 -2.816405094e+00 -1.867448418e+00 1.98 -4.414852280e+00 -2.966379356e+00 -2.102779836e+00 2.00 -4.497689997e+00 -3.139162153e+00 -2.332699132e+00 2.02 -4.600551614e+00 -3.351764814e+00 -2.569904033e+00 2.04 -4.724399513e+00 -3.622123998e+00 -2.831947765e+00 2.06 -4.865011939e+00 -3.965125395e+00 -3.138204002e+00 2.08 -5.010845369e+00 -4.383321780e+00 -3.502112573e+00 2.10 -5.142516629e+00 -4.848934079e+00 -3.915272349e+00 2.12 -5.234950635e+00 -5.280937610e+00 -4.318341493e+00 2.14 -5.264163354e+00 -5.547686226e+00 -4.587940911e+00 2.16 -5.226271651e+00 -5.574546898e+00 -4.640567713e+00 2.18 -5.176084778e+00 -5.560810170e+00 -4.653736866e+00 2.20 -5.123194158e+00 -5.543498095e+00 -4.661856662e+00 2.22 -5.067786421e+00 -5.522477268e+00 -4.665244574e+00 2.24 -5.010067399e+00 -5.497669784e+00 -4.664201786e+00 2.26 -4.950256763e+00 -5.469054869e+00 -4.659013983e+00 2.28 -4.888582944e+00 -5.436667535e+00 -4.649952110e+00 2.30 -4.825278439e+00 -5.400594854e+00 -4.637273085e+00 2.32 -4.760575539e+00 -5.360970475e+00 -4.621220486e+00 2.34 -4.694730054e+00 -5.317968006e+00 -4.602025199e+00 2.36 -4.628270512e+00 -5.271793799e+00 -4.579906037e+00 2.38 -4.561410935e+00 -5.222679630e+00 -4.555070330e+00 2.40 -4.494249584e+00 -5.167915487e+00 -4.527714484e+00 2.42 -4.426878359e+00 -5.102948246e+00 -4.498024516e+00 2.44 -4.359383136e+00 -5.028172337e+00 -4.466182704e+00 2.46 -4.291844080e+00 -4.944176369e+00 -4.432780567e+00 2.48 -4.211609674e+00 -4.851689169e+00 -4.398111113e+00 2.50 -4.104454339e+00 -4.751909642e+00 -4.362161208e+00 2.52 -3.971636213e+00 -4.645782419e+00 -4.324926643e+00 2.54 -3.814604660e+00 -4.534186638e+00 -4.286413881e+00 2.56 -3.634995637e+00 -4.418113491e+00 -4.246641030e+00 2.58 -3.434653339e+00 -4.298663330e+00 -4.205638140e+00 2.60 -3.215651900e+00 -4.177041039e+00 -4.163446914e+00 2.62 -2.980316190e+00 -4.054550185e+00 -4.120119960e+00 2.64 -2.731240865e+00 -3.932586359e+00 -4.075719697e+00 2.66 -2.471306914e+00 -3.812629421e+00 -4.030317012e+00 2.68 -2.203695245e+00 -3.696232726e+00 -3.983989785e+00 2.70 -1.931897421e+00 -3.585004548e+00 -3.936821354e+00 2.72 -1.659724938e+00 -3.480573158e+00 -3.888899006e+00 2.74 -1.391320533e+00 -3.384524149e+00 -3.840312525e+00 2.76 -1.131178005e+00 -3.296595584e+00 -3.789521812e+00 2.78 -8.841793291e-01 -3.204684160e+00 -3.723855911e+00 2.80 -6.556544502e-01 -3.107286040e+00 -3.641004378e+00 2.82 -4.514482921e-01 -3.005208701e+00 -3.541490290e+00 2.84 -2.779222863e-01 -2.891711764e+00 -3.425904650e+00 2.86 -1.417164013e-01 -2.764207389e+00 -3.294923665e+00 2.88 -4.901407590e-02 -2.623865391e+00 -3.149368764e+00 2.90 -4.180362581e-03 -2.471966512e+00 -2.990100548e+00 2.92 0.000000000e+00 -2.309909520e+00 -2.818060337e+00 2.94 0.000000000e+00 -2.139218235e+00 -2.634340038e+00 2.96 0.000000000e+00 -1.961548353e+00 -2.440205183e+00 2.98 0.000000000e+00 -1.778693967e+00 -2.237119915e+00 3.00 0.000000000e+00 -1.592593739e+00 -2.026774529e+00 3.02 0.000000000e+00 -1.405336736e+00 -1.811116184e+00 3.04 0.000000000e+00 -1.219167836e+00 -1.592383455e+00 3.06 0.000000000e+00 -1.036492373e+00 -1.373145304e+00 3.08 0.000000000e+00 -8.598788211e-01 -1.156344942e+00 3.10 0.000000000e+00 -6.920566349e-01 -9.453482253e-01 3.12 0.000000000e+00 -5.359030485e-01 -7.439936153e-01 3.14 0.000000000e+00 -3.944076308e-01 -5.566331359e-01 3.16 0.000000000e+00 -2.705972775e-01 -3.881359903e-01 3.18 0.000000000e+00 -1.674003590e-01 -2.437935568e-01 3.20 0.000000000e+00 -8.743341240e-02 -1.290230948e-01 3.22 0.000000000e+00 -3.271492483e-02 -4.875841010e-02 3.24 0.000000000e+00 -4.349960919e-03 -6.519181789e-03 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 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