# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = C3Si # 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 4.614436469e+03 nan nan 0.74 4.108995721e+03 nan nan 0.76 3.661014650e+03 nan nan 0.78 3.263657913e+03 4.739050742e+03 nan 0.80 2.912958905e+03 4.255089027e+03 4.745112985e+03 0.82 2.602979390e+03 3.824723275e+03 4.274631823e+03 0.84 2.326830019e+03 3.442396053e+03 3.854735146e+03 0.86 2.079999753e+03 3.100600568e+03 3.478240476e+03 0.88 1.859977842e+03 2.794549539e+03 3.140726164e+03 0.90 1.664225557e+03 2.520404945e+03 2.838398190e+03 0.92 1.489862435e+03 2.273448707e+03 2.566548237e+03 0.94 1.334409159e+03 2.051060276e+03 2.321789005e+03 0.96 1.195359835e+03 1.851079021e+03 2.100441645e+03 0.98 1.070680564e+03 1.671674777e+03 1.899829766e+03 1.00 9.581309362e+02 1.509471374e+03 1.718287069e+03 1.02 8.558342127e+02 1.362235822e+03 1.555028256e+03 1.04 7.633222641e+02 1.228769670e+03 1.408275737e+03 1.06 6.803932384e+02 1.108372773e+03 1.274783013e+03 1.08 6.068206087e+02 1.000336547e+03 1.153533868e+03 1.10 5.408251252e+02 9.033898668e+02 1.043122469e+03 1.12 4.817601849e+02 8.161591278e+02 9.432566209e+02 1.14 4.295151359e+02 7.375228483e+02 8.530875392e+02 1.16 3.836673823e+02 6.657829723e+02 7.710996836e+02 1.18 3.424239133e+02 5.996185428e+02 6.965556511e+02 1.20 3.052312923e+02 5.387166894e+02 6.291319174e+02 1.22 2.716611354e+02 4.831313550e+02 5.686420279e+02 1.24 2.416090643e+02 4.331788085e+02 5.145348055e+02 1.26 2.149741783e+02 3.890630587e+02 4.659639090e+02 1.28 1.911605746e+02 3.497422601e+02 4.218364787e+02 1.30 1.697740297e+02 3.145989505e+02 3.816995533e+02 1.32 1.506071405e+02 2.834108944e+02 3.451799399e+02 1.34 1.334720040e+02 2.554169572e+02 3.117763172e+02 1.36 1.181947115e+02 2.300756863e+02 2.810718023e+02 1.38 1.046099946e+02 2.071117819e+02 2.529185471e+02 1.40 9.255715194e+01 1.862975670e+02 2.272403260e+02 1.42 8.183229482e+01 1.674031740e+02 2.039959656e+02 1.44 7.223680670e+01 1.500914653e+02 1.831394486e+02 1.46 6.365580611e+01 1.342277950e+02 1.644659684e+02 1.48 5.598626948e+01 1.197425853e+02 1.476433736e+02 1.50 4.913549480e+01 1.065865598e+02 1.325513821e+02 1.52 4.299531487e+01 9.472205821e+01 1.190845161e+02 1.54 3.739785438e+01 8.410533175e+01 1.069940885e+02 1.56 3.229102339e+01 7.457410002e+01 9.603611236e+01 1.58 2.763861926e+01 6.599871266e+01 8.608727215e+01 1.60 2.340140285e+01 5.831373310e+01 7.701883355e+01 1.62 1.953720722e+01 5.142390301e+01 6.875786667e+01 1.64 1.598272111e+01 4.521713590e+01 6.119063510e+01 1.66 1.265622190e+01 3.964254067e+01 5.415295257e+01 1.68 9.544225105e+00 3.464793546e+01 4.761702772e+01 1.70 6.671926108e+00 3.013464465e+01 4.157631465e+01 1.72 4.128834635e+00 2.603035290e+01 3.604537426e+01 1.74 2.081370391e+00 2.229528420e+01 3.106366703e+01 1.76 6.886487608e-01 1.889484924e+01 2.668688738e+01 1.78 -3.054999001e-01 1.580293287e+01 2.294878899e+01 1.80 -1.118453565e+00 1.300752695e+01 1.968361514e+01 1.82 -1.810756106e+00 1.051858020e+01 1.679953140e+01 1.84 -2.396244019e+00 8.371777505e+00 1.426825771e+01 1.86 -2.888943214e+00 6.606569581e+00 1.204925363e+01 1.88 -3.309152848e+00 5.131560143e+00 1.003256428e+01 1.90 -3.691893402e+00 3.812329488e+00 8.186300448e+00 1.92 -4.050198602e+00 2.633585858e+00 6.500682435e+00 1.94 -4.381235432e+00 1.578854735e+00 4.964034062e+00 1.96 -4.682106523e+00 6.295310792e-01 3.562420588e+00 1.98 -4.948969693e+00 -2.350528721e-01 2.279292953e+00 2.00 -5.176380047e+00 -1.044127417e+00 1.095225904e+00 2.02 -5.357756309e+00 -1.858996618e+00 -1.200599591e-02 2.04 -5.487359131e+00 -2.697512446e+00 -1.066346064e+00 2.06 -5.567849699e+00 -3.563783201e+00 -2.089676752e+00 2.08 -5.624352019e+00 -4.445987025e+00 -3.091634160e+00 2.10 -5.646640294e+00 -5.298068725e+00 -4.047366262e+00 2.12 -5.615025162e+00 -6.016950191e+00 -4.864926801e+00 2.14 -5.512636321e+00 -6.445138642e+00 -5.382968132e+00 2.16 -5.343597555e+00 -6.502536936e+00 -5.525662954e+00 2.18 -5.163676857e+00 -6.435137578e+00 -5.582522148e+00 2.20 -4.982962349e+00 -6.335218940e+00 -5.608769658e+00 2.22 -4.802508606e+00 -6.220681151e+00 -5.608277909e+00 2.24 -4.623216133e+00 -6.093998108e+00 -5.584526799e+00 2.26 -4.445848996e+00 -5.957364610e+00 -5.540640291e+00 2.28 -4.271050601e+00 -5.812724211e+00 -5.479419728e+00 2.30 -4.099357826e+00 -5.661794433e+00 -5.403431902e+00 2.32 -3.931213655e+00 -5.506089583e+00 -5.321796701e+00 2.34 -3.766978472e+00 -5.346941401e+00 -5.239142167e+00 2.36 -3.606940147e+00 -5.184035573e+00 -5.154302065e+00 2.38 -3.451323044e+00 -5.014223914e+00 -5.066025764e+00 2.40 -3.300296045e+00 -4.838813551e+00 -4.972982676e+00 2.42 -3.153979712e+00 -4.659348877e+00 -4.873737428e+00 2.44 -3.005575753e+00 -4.477288741e+00 -4.766773699e+00 2.46 -2.844070986e+00 -4.294005190e+00 -4.650654635e+00 2.48 -2.671622925e+00 -4.110782054e+00 -4.524364499e+00 2.50 -2.490583671e+00 -3.928813813e+00 -4.387762569e+00 2.52 -2.303231765e+00 -3.749205157e+00 -4.243013365e+00 2.54 -2.111770150e+00 -3.572971572e+00 -4.098281379e+00 2.56 -1.918324779e+00 -3.401041143e+00 -3.955260580e+00 2.58 -1.724944181e+00 -3.234257491e+00 -3.814327311e+00 2.60 -1.533600290e+00 -3.073383360e+00 -3.675800022e+00 2.62 -1.346190810e+00 -2.919103780e+00 -3.539945492e+00 2.64 -1.164543212e+00 -2.772026969e+00 -3.406984459e+00 2.66 -9.904202961e-01 -2.632680458e+00 -3.277096703e+00 2.68 -8.255268908e-01 -2.501499574e+00 -3.150425644e+00 2.70 -6.715167344e-01 -2.378806115e+00 -3.027082482e+00 2.72 -5.299975427e-01 -2.263022443e+00 -2.905084388e+00 2.74 -4.025303361e-01 -2.145572838e+00 -2.774372279e+00 2.76 -2.906155818e-01 -2.026249614e+00 -2.634892372e+00 2.78 -1.956531976e-01 -1.905989347e+00 -2.488134605e+00 2.80 -1.188573013e-01 -1.783699843e+00 -2.335548458e+00 2.82 -6.110560144e-02 -1.658080004e+00 -2.178543672e+00 2.84 -2.271943371e-02 -1.530336503e+00 -2.018490769e+00 2.86 -3.214163233e-03 -1.401641620e+00 -1.856721696e+00 2.88 0.000000000e+00 -1.273125345e+00 -1.694530901e+00 2.90 0.000000000e+00 -1.145876487e+00 -1.533177176e+00 2.92 0.000000000e+00 -1.020944288e+00 -1.373886558e+00 2.94 0.000000000e+00 -8.993404175e-01 -1.217856522e+00 2.96 0.000000000e+00 -7.820411189e-01 -1.066261583e+00 2.98 0.000000000e+00 -6.699890767e-01 -9.202602368e-01 3.00 0.000000000e+00 -5.640943315e-01 -7.810028729e-01 3.02 0.000000000e+00 -4.652332134e-01 -6.496397679e-01 3.04 0.000000000e+00 -3.742438352e-01 -5.273275003e-01 3.06 0.000000000e+00 -2.919162016e-01 -4.152308486e-01 3.08 0.000000000e+00 -2.189745783e-01 -3.145153901e-01 3.10 0.000000000e+00 -1.560496969e-01 -2.263235681e-01 3.12 0.000000000e+00 -1.036391049e-01 -1.517245633e-01 3.14 0.000000000e+00 -6.205610250e-02 -9.162780460e-02 3.16 0.000000000e+00 -3.137164817e-02 -4.665514115e-02 3.18 0.000000000e+00 -1.135894091e-02 -1.698188250e-02 3.20 0.000000000e+00 -1.455224654e-03 -2.181852965e-03 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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