# 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 = C3Ti # 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 9.296071931e+02 nan nan 0.78 8.428498800e+02 nan nan 0.80 7.660658188e+02 nan nan 0.82 6.972978711e+02 9.585046896e+02 nan 0.84 6.346225402e+02 8.723268633e+02 nan 0.86 5.791442940e+02 8.054191548e+02 9.111455165e+02 0.88 5.321392986e+02 7.433677017e+02 8.387191431e+02 0.90 4.894242472e+02 6.840492560e+02 7.711708310e+02 0.92 4.510763208e+02 6.289772987e+02 7.082606995e+02 0.94 4.173013582e+02 5.794520590e+02 6.517376344e+02 0.96 3.868460365e+02 5.362792695e+02 6.029520712e+02 0.98 3.565993167e+02 4.999918128e+02 5.599076728e+02 1.00 3.262135880e+02 4.659493701e+02 5.165217283e+02 1.02 2.961748537e+02 4.316215326e+02 4.734385099e+02 1.04 2.674502502e+02 3.962613656e+02 4.322318676e+02 1.06 2.412491305e+02 3.609029348e+02 3.943322781e+02 1.08 2.195682769e+02 3.269245033e+02 3.613012146e+02 1.10 2.018330391e+02 2.953636693e+02 3.346539531e+02 1.12 1.842750816e+02 2.680304274e+02 3.137036930e+02 1.14 1.672329721e+02 2.470259287e+02 2.936821601e+02 1.16 1.536795025e+02 2.305052421e+02 2.732587590e+02 1.18 1.405666544e+02 2.164807159e+02 2.519866414e+02 1.20 1.274360882e+02 2.028380327e+02 2.304204962e+02 1.22 1.144455560e+02 1.895316522e+02 2.095749066e+02 1.24 1.019332390e+02 1.764988886e+02 1.911632827e+02 1.26 9.120920698e+01 1.636974685e+02 1.752864319e+02 1.28 8.469711347e+01 1.512315186e+02 1.610913324e+02 1.30 7.980747313e+01 1.395773562e+02 1.499060199e+02 1.32 7.524552339e+01 1.303897518e+02 1.417676592e+02 1.34 7.098556454e+01 1.224465890e+02 1.339696047e+02 1.36 6.700363196e+01 1.140322634e+02 1.263529892e+02 1.38 6.327775482e+01 1.052788585e+02 1.189129943e+02 1.40 5.978722073e+01 9.635542671e+01 1.116406484e+02 1.42 5.646332339e+01 8.734704273e+01 1.045324918e+02 1.44 5.294192515e+01 7.823516548e+01 9.760633413e+01 1.46 4.920815454e+01 6.899708320e+01 9.093226858e+01 1.48 4.531348728e+01 5.932971286e+01 8.455801052e+01 1.50 4.128850453e+01 4.920266668e+01 7.829166399e+01 1.52 3.712651774e+01 4.160402423e+01 7.255484505e+01 1.54 3.273676500e+01 3.892873425e+01 6.712443102e+01 1.56 2.816550620e+01 3.659975040e+01 6.155575660e+01 1.58 2.362696576e+01 3.441453481e+01 5.585643450e+01 1.60 1.965097862e+01 3.236346194e+01 4.995550891e+01 1.62 1.701397348e+01 3.040967291e+01 4.370257943e+01 1.64 1.510484547e+01 2.850902912e+01 3.696645679e+01 1.66 1.305377115e+01 2.665977926e+01 3.011694688e+01 1.68 1.078493231e+01 2.485656420e+01 2.516013698e+01 1.70 8.248654742e+00 2.309037997e+01 2.346520265e+01 1.72 5.559816683e+00 2.134899551e+01 2.203502920e+01 1.74 3.274273147e+00 1.961782096e+01 2.069389687e+01 1.76 2.305150629e+00 1.788358546e+01 1.943700319e+01 1.78 1.890974409e+00 1.614184241e+01 1.825924521e+01 1.80 1.510758548e+00 1.441180483e+01 1.715523031e+01 1.82 1.161442228e+00 1.276097934e+01 1.611934751e+01 1.84 8.400614539e-01 1.132877640e+01 1.514589659e+01 1.86 5.384604740e-01 1.028996116e+01 1.421981107e+01 1.88 2.238980303e-01 9.522040320e+00 1.328404356e+01 1.90 -1.070657933e-01 8.760735133e+00 1.233487864e+01 1.92 -4.503533605e-01 8.000340451e+00 1.137488546e+01 1.94 -8.061386897e-01 7.232280182e+00 1.040237798e+01 1.96 -1.175425428e+00 6.442561274e+00 9.412804112e+00 1.98 -1.558916651e+00 5.611224497e+00 8.395697988e+00 2.00 -1.958381338e+00 4.711818298e+00 7.328564925e+00 2.02 -2.372847628e+00 3.712245422e+00 6.177784282e+00 2.04 -2.796075115e+00 2.578481784e+00 4.896009271e+00 2.06 -3.213643758e+00 1.277580560e+00 3.421632391e+00 2.08 -3.600653209e+00 -1.977884446e-01 1.689834356e+00 2.10 -3.922135917e+00 -1.776929075e+00 -3.136703346e-01 2.12 -4.138867032e+00 -3.226843002e+00 -2.388091920e+00 2.14 -4.219426407e+00 -4.126517744e+00 -3.870528077e+00 2.16 -4.171741364e+00 -4.231215767e+00 -4.129917307e+00 2.18 -4.108322584e+00 -4.202203184e+00 -4.175661071e+00 2.20 -4.048592303e+00 -4.163596183e+00 -4.212754469e+00 2.22 -3.993240759e+00 -4.116123379e+00 -4.241769794e+00 2.24 -3.942524643e+00 -4.058529742e+00 -4.263248620e+00 2.26 -3.893684974e+00 -3.991461254e+00 -4.277703308e+00 2.28 -3.841492480e+00 -3.916218024e+00 -4.285618460e+00 2.30 -3.757807537e+00 -3.834765834e+00 -4.287452291e+00 2.32 -3.630777632e+00 -3.749693682e+00 -4.283620086e+00 2.34 -3.460539764e+00 -3.664064826e+00 -4.272611108e+00 2.36 -3.247941143e+00 -3.581157867e+00 -4.253532638e+00 2.38 -2.995079868e+00 -3.504085274e+00 -4.226824539e+00 2.40 -2.705795416e+00 -3.430072023e+00 -4.192978228e+00 2.42 -2.386048246e+00 -3.357576963e+00 -4.152540089e+00 2.44 -2.044130868e+00 -3.288574443e+00 -4.106113025e+00 2.46 -1.690656802e+00 -3.224322863e+00 -4.054355610e+00 2.48 -1.338280772e+00 -3.165357814e+00 -3.997978402e+00 2.50 -1.001117466e+00 -3.111660784e+00 -3.937737135e+00 2.52 -6.938530483e-01 -3.062946836e+00 -3.874422627e+00 2.54 -4.305890619e-01 -3.017955832e+00 -3.808847454e+00 2.56 -2.235229223e-01 -2.962114167e+00 -3.732987768e+00 2.58 -8.164168981e-02 -2.874998666e+00 -3.629601352e+00 2.60 -9.660026074e-03 -2.757508028e+00 -3.497463071e+00 2.62 0.000000000e+00 -2.611516714e+00 -3.335891223e+00 2.64 0.000000000e+00 -2.439443004e+00 -3.144701738e+00 2.66 0.000000000e+00 -2.244352400e+00 -2.924597581e+00 2.68 0.000000000e+00 -2.030035990e+00 -2.677518606e+00 2.70 0.000000000e+00 -1.801047348e+00 -2.406917270e+00 2.72 0.000000000e+00 -1.562683956e+00 -2.117927289e+00 2.74 0.000000000e+00 -1.320902577e+00 -1.817394988e+00 2.76 0.000000000e+00 -1.082162736e+00 -1.512769041e+00 2.78 0.000000000e+00 -8.531986022e-01 -1.210799669e+00 2.80 0.000000000e+00 -6.407270265e-01 -9.219153745e-01 2.82 0.000000000e+00 -4.511081177e-01 -6.570766152e-01 2.84 0.000000000e+00 -2.899835187e-01 -4.268001930e-01 2.86 0.000000000e+00 -1.619251898e-01 -2.403099203e-01 2.88 0.000000000e+00 -7.013201815e-02 -1.047085764e-01 2.90 0.000000000e+00 -1.621103268e-02 -2.429006678e-02 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 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0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 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