# 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 = AlTi3 # 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 2.498292076e+03 nan nan 0.80 2.270210450e+03 nan nan 0.82 2.063833638e+03 nan nan 0.84 1.877853495e+03 nan nan 0.86 1.710912109e+03 2.393158062e+03 nan 0.88 1.559133424e+03 2.191155288e+03 2.430195716e+03 0.90 1.423472003e+03 2.010550098e+03 2.231758851e+03 0.92 1.300467161e+03 1.846706151e+03 2.052723806e+03 0.94 1.188356654e+03 1.697572542e+03 1.887874082e+03 0.96 1.087078043e+03 1.562948214e+03 1.736583307e+03 0.98 9.946268605e+02 1.439984733e+03 1.596747941e+03 1.00 9.105480625e+02 1.324152149e+03 1.468518482e+03 1.02 8.338799019e+02 1.215036022e+03 1.352631864e+03 1.04 7.634765867e+02 1.113399919e+03 1.248909873e+03 1.06 6.987073450e+02 1.021427810e+03 1.153348290e+03 1.08 6.397077225e+02 9.415395873e+02 1.065849305e+03 1.10 5.868044162e+02 8.712601153e+02 9.862105717e+02 1.12 5.392264753e+02 8.066242039e+02 9.130803917e+02 1.14 4.951170820e+02 7.462301152e+02 8.445241025e+02 1.16 4.544483636e+02 6.895294406e+02 7.800809021e+02 1.18 4.171136501e+02 6.363178043e+02 7.200614004e+02 1.20 3.831915734e+02 5.868942194e+02 6.647336933e+02 1.22 3.526573781e+02 5.418810007e+02 6.149355293e+02 1.24 3.245573762e+02 5.017661715e+02 5.711690528e+02 1.26 2.977021357e+02 4.651005659e+02 5.309848379e+02 1.28 2.719850947e+02 4.312482235e+02 4.924091604e+02 1.30 2.474241189e+02 3.996262088e+02 4.553233462e+02 1.32 2.242393827e+02 3.696205609e+02 4.196532043e+02 1.34 2.029274405e+02 3.406093574e+02 3.856933046e+02 1.36 1.842917079e+02 3.126267312e+02 3.539886738e+02 1.38 1.690635856e+02 2.858942557e+02 3.253852811e+02 1.40 1.558391286e+02 2.606213054e+02 3.007979827e+02 1.42 1.438298417e+02 2.375084871e+02 2.792598553e+02 1.44 1.327941594e+02 2.174472191e+02 2.594989683e+02 1.46 1.223215298e+02 1.998930970e+02 2.414114416e+02 1.48 1.121193081e+02 1.847070567e+02 2.247862546e+02 1.50 1.021834624e+02 1.710256506e+02 2.088332737e+02 1.52 9.259083716e+01 1.585182772e+02 1.933621376e+02 1.54 8.345124501e+01 1.470029075e+02 1.784375615e+02 1.56 7.491285689e+01 1.363685652e+02 1.641516086e+02 1.58 6.716312293e+01 1.264767795e+02 1.506320794e+02 1.60 6.040395196e+01 1.172910377e+02 1.380323993e+02 1.62 5.477062208e+01 1.087765992e+02 1.265170571e+02 1.64 4.983567115e+01 1.008978920e+02 1.163040099e+02 1.66 4.534217256e+01 9.358485394e+01 1.074724505e+02 1.68 4.121638430e+01 8.670110724e+01 9.946690896e+01 1.70 3.742496807e+01 8.019712084e+01 9.203516575e+01 1.72 3.395119063e+01 7.403663140e+01 8.515994337e+01 1.74 3.077063466e+01 6.808053409e+01 7.880326806e+01 1.76 2.782425759e+01 6.217359175e+01 7.285148899e+01 1.78 2.504047471e+01 5.634626315e+01 6.726085553e+01 1.80 2.241336437e+01 5.066131216e+01 6.202754951e+01 1.82 1.995024395e+01 4.519978221e+01 5.714669720e+01 1.84 1.764821573e+01 4.005841878e+01 5.261207418e+01 1.86 1.544124051e+01 3.532243046e+01 4.841585503e+01 1.88 1.332073351e+01 3.094921064e+01 4.454839009e+01 1.90 1.129491375e+01 2.703455201e+01 4.099402692e+01 1.92 9.373860894e+00 2.372258988e+01 3.765271843e+01 1.94 7.570949362e+00 2.109709327e+01 3.437083953e+01 1.96 5.897295487e+00 1.882404715e+01 3.113208352e+01 1.98 4.367381359e+00 1.677169123e+01 2.792784626e+01 2.00 3.010591558e+00 1.492804915e+01 2.478000598e+01 2.02 1.852659028e+00 1.327228098e+01 2.171542470e+01 2.04 9.196792344e-01 1.175720091e+01 1.875588268e+01 2.06 2.173008484e-01 1.033462417e+01 1.593639403e+01 2.08 -3.616820971e-01 8.999057411e+00 1.332547760e+01 2.10 -8.794731656e-01 7.749857722e+00 1.100838870e+01 2.12 -1.349882478e+00 6.584494073e+00 9.075833348e+00 2.14 -1.775032082e+00 5.490515569e+00 7.596606320e+00 2.16 -2.156940426e+00 4.466929860e+00 6.377968392e+00 2.18 -2.497549994e+00 3.514690575e+00 5.283636424e+00 2.20 -2.798766290e+00 2.634038115e+00 4.307398139e+00 2.22 -3.062507451e+00 1.824529276e+00 3.442085264e+00 2.24 -3.290760117e+00 1.085096837e+00 2.679637737e+00 2.26 -3.485633293e+00 4.141302899e-01 1.998483435e+00 2.28 -3.649399008e+00 -1.904322895e-01 1.372893590e+00 2.30 -3.784508407e+00 -7.310125558e-01 7.988588371e-01 2.32 -3.893575331e+00 -1.210312722e+00 2.728130214e-01 2.34 -3.979619051e+00 -1.631260564e+00 -2.115622161e-01 2.36 -4.048619461e+00 -1.996986589e+00 -6.582743705e-01 2.38 -4.103134431e+00 -2.310867208e+00 -1.068784177e+00 2.40 -4.144449152e+00 -2.581670000e+00 -1.444510585e+00 2.42 -4.173750945e+00 -2.815757169e+00 -1.786866244e+00 2.44 -4.192136365e+00 -3.015567714e+00 -2.097313066e+00 2.46 -4.200617786e+00 -3.183892437e+00 -2.379250146e+00 2.48 -4.200129532e+00 -3.324079279e+00 -2.634846367e+00 2.50 -4.191533558e+00 -3.444344194e+00 -2.864999308e+00 2.52 -4.175624734e+00 -3.548339954e+00 -3.070740350e+00 2.54 -4.153135748e+00 -3.637340459e+00 -3.253222261e+00 2.56 -4.124741661e+00 -3.712530657e+00 -3.413700201e+00 2.58 -4.091064133e+00 -3.775012553e+00 -3.553507838e+00 2.60 -4.052675351e+00 -3.825810808e+00 -3.674030307e+00 2.62 -4.010101673e+00 -3.865877971e+00 -3.776675887e+00 2.64 -3.963827012e+00 -3.896099360e+00 -3.862848225e+00 2.66 -3.914295975e+00 -3.917297611e+00 -3.933920927e+00 2.68 -3.861786742e+00 -3.930236930e+00 -3.991216100e+00 2.70 -3.801243123e+00 -3.935627055e+00 -4.035988070e+00 2.72 -3.730104968e+00 -3.934126955e+00 -4.069413009e+00 2.74 -3.648719670e+00 -3.926348285e+00 -4.092584516e+00 2.76 -3.557535306e+00 -3.912858601e+00 -4.106403698e+00 2.78 -3.457115918e+00 -3.894184368e+00 -4.111403849e+00 2.80 -3.348154444e+00 -3.870813762e+00 -4.108333455e+00 2.82 -3.231482336e+00 -3.843199284e+00 -4.097963858e+00 2.84 -3.108075008e+00 -3.811754808e+00 -4.081064001e+00 2.86 -2.979052346e+00 -3.775093579e+00 -4.058398102e+00 2.88 -2.845673640e+00 -3.732153208e+00 -4.031150842e+00 2.90 -2.709326392e+00 -3.683384908e+00 -4.000086182e+00 2.92 -2.571508615e+00 -3.629300499e+00 -3.965577799e+00 2.94 -2.433804415e+00 -3.570463411e+00 -3.927972526e+00 2.96 -2.297386033e+00 -3.507467615e+00 -3.887592132e+00 2.98 -2.158363708e+00 -3.440914845e+00 -3.844734985e+00 3.00 -2.017384078e+00 -3.371391925e+00 -3.799677619e+00 3.02 -1.876958415e+00 -3.299450204e+00 -3.752676183e+00 3.04 -1.739645323e+00 -3.225589277e+00 -3.703967813e+00 3.06 -1.607977117e+00 -3.150247065e+00 -3.653771902e+00 3.08 -1.484376956e+00 -3.073798056e+00 -3.602291295e+00 3.10 -1.371070166e+00 -2.996560715e+00 -3.549713404e+00 3.12 -1.269994947e+00 -2.918813910e+00 -3.496211247e+00 3.14 -1.182718949e+00 -2.840820621e+00 -3.441944427e+00 3.16 -1.110368816e+00 -2.762855507e+00 -3.387060043e+00 3.18 -1.052540201e+00 -2.685231475e+00 -3.331693535e+00 3.20 -1.001764447e+00 -2.608319815e+00 -3.275969491e+00 3.22 -9.569039190e-01 -2.532968441e+00 -3.220002380e+00 3.24 -9.182510997e-01 -2.460824911e+00 -3.163897255e+00 3.26 -8.858650306e-01 -2.392376376e+00 -3.107750400e+00 3.28 -8.595506023e-01 -2.327917327e+00 -3.051608441e+00 3.30 -8.362916587e-01 -2.263618192e+00 -2.990683739e+00 3.32 -8.134576725e-01 -2.194803341e+00 -2.919554836e+00 3.34 -7.875381804e-01 -2.119136890e+00 -2.835663551e+00 3.36 -7.581482172e-01 -2.037497725e+00 -2.739812878e+00 3.38 -7.256642040e-01 -1.949546195e+00 -2.632879358e+00 3.40 -6.904850717e-01 -1.853884211e+00 -2.515806826e+00 3.42 -6.530268806e-01 -1.751583651e+00 -2.389620039e+00 3.44 -6.137174417e-01 -1.643822172e+00 -2.255436432e+00 3.46 -5.729909959e-01 -1.531819023e+00 -2.114474886e+00 3.48 -5.312830071e-01 -1.416826802e+00 -1.968060463e+00 3.50 -4.890251209e-01 -1.300121305e+00 -1.817624231e+00 3.52 -4.466403371e-01 -1.182989218e+00 -1.664697356e+00 3.54 -4.045384437e-01 -1.066713561e+00 -1.510898813e+00 3.56 -3.631117539e-01 -9.525569618e-01 -1.357916246e+00 3.58 -3.227311861e-01 -8.417429870e-01 -1.207479831e+00 3.60 -2.837427211e-01 -7.354359772e-01 -1.061329377e+00 3.62 -2.464642665e-01 -6.347200012e-01 -9.211754440e-01 3.64 -2.111829552e-01 -5.405777409e-01 -7.886558360e-01 3.66 -1.781528967e-01 -4.538702606e-01 -6.652894141e-01 3.68 -1.475933966e-01 -3.753187048e-01 -5.524297053e-01 3.70 -1.196876535e-01 -3.054889794e-01 -4.512211101e-01 3.72 -9.458193614e-02 -2.434586487e-01 -3.606747301e-01 3.74 -7.238523665e-02 -1.877737967e-01 -2.789383116e-01 3.76 -5.316939261e-02 -1.388844539e-01 -2.068157383e-01 3.78 -3.696966087e-02 -9.715171638e-02 -1.449771512e-01 3.80 -2.378572312e-02 -6.282205348e-02 -9.391445522e-02 3.82 -1.358309612e-02 -3.601966630e-02 -5.392309692e-02 3.84 -6.294915253e-03 -1.674221231e-02 -2.508995898e-02 3.86 -1.824055018e-03 -4.860363393e-03 -7.288543989e-03 3.88 -4.554638916e-05 -1.214546372e-04 -1.821806853e-04 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 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