# 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 = SiTi3 # 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 2.149837943e+03 nan nan 0.78 1.951001591e+03 nan nan 0.80 1.773733650e+03 nan nan 0.82 1.615811204e+03 2.235962046e+03 nan 0.84 1.473952979e+03 2.045758392e+03 nan 0.86 1.345965012e+03 1.874814884e+03 2.076649341e+03 0.88 1.230239592e+03 1.720842840e+03 1.906267452e+03 0.90 1.125380906e+03 1.580775915e+03 1.752331641e+03 0.92 1.029829236e+03 1.452662083e+03 1.612961989e+03 0.94 9.427047080e+02 1.335817693e+03 1.485801160e+03 0.96 8.634344920e+02 1.229282692e+03 1.369482549e+03 0.98 7.915409764e+02 1.131819880e+03 1.263177095e+03 1.00 7.258228988e+02 1.042614882e+03 1.166368637e+03 1.02 6.656071388e+02 9.610693580e+02 1.077455980e+03 1.04 6.110421480e+02 8.867057446e+02 9.958668339e+02 1.06 5.621080790e+02 8.186739652e+02 9.206921052e+02 1.08 5.179092042e+02 7.564229805e+02 8.517745515e+02 1.10 4.772023098e+02 6.995675751e+02 7.885038634e+02 1.12 4.394270953e+02 6.475313339e+02 7.303644469e+02 1.14 4.042973416e+02 5.999536328e+02 6.766893232e+02 1.16 3.716929596e+02 5.561855410e+02 6.268548835e+02 1.18 3.412874657e+02 5.154031894e+02 5.807447508e+02 1.20 3.129648456e+02 4.771713095e+02 5.380741295e+02 1.22 2.866885606e+02 4.412010569e+02 4.985349980e+02 1.24 2.625146518e+02 4.076308802e+02 4.620635324e+02 1.26 2.405407884e+02 3.765699118e+02 4.282306416e+02 1.28 2.205984506e+02 3.478327431e+02 3.968198845e+02 1.30 2.025201737e+02 3.212062068e+02 3.678491710e+02 1.32 1.860580631e+02 2.965076575e+02 3.411873774e+02 1.34 1.709347822e+02 2.736465416e+02 3.166820952e+02 1.36 1.569276397e+02 2.526909835e+02 2.939082292e+02 1.38 1.439973003e+02 2.336533151e+02 2.725286480e+02 1.40 1.320408316e+02 2.162118943e+02 2.525324345e+02 1.42 1.209668424e+02 2.001901451e+02 2.339313070e+02 1.44 1.106659528e+02 1.853304948e+02 2.167295105e+02 1.46 1.010906396e+02 1.715488471e+02 2.008980269e+02 1.48 9.222791351e+01 1.588286874e+02 1.862761942e+02 1.50 8.404019652e+01 1.471112452e+02 1.725787047e+02 1.52 7.653193131e+01 1.363023104e+02 1.597902273e+02 1.54 6.970089393e+01 1.262973303e+02 1.479153970e+02 1.56 6.351471045e+01 1.169622136e+02 1.369505803e+02 1.58 5.781912273e+01 1.081144302e+02 1.268803061e+02 1.60 5.256849426e+01 9.974186806e+01 1.176405196e+02 1.62 4.774347404e+01 9.183732086e+01 1.090422900e+02 1.64 4.331590835e+01 8.439325579e+01 1.010241129e+02 1.66 3.921322050e+01 7.738612226e+01 9.349065850e+01 1.68 3.536855915e+01 7.080016363e+01 8.641127449e+01 1.70 3.177349545e+01 6.462473235e+01 7.979259737e+01 1.72 2.842851002e+01 5.884134281e+01 7.362031706e+01 1.74 2.533074975e+01 5.340143664e+01 6.782462616e+01 1.76 2.245350681e+01 4.831165336e+01 6.236394865e+01 1.78 1.974361432e+01 4.359249532e+01 5.721961238e+01 1.80 1.718777795e+01 3.923470943e+01 5.235966750e+01 1.82 1.479026638e+01 3.523754080e+01 4.777031151e+01 1.84 1.255838246e+01 3.161086205e+01 4.345014995e+01 1.86 1.049806255e+01 2.835375967e+01 3.939758700e+01 1.88 8.613331189e+00 2.538028110e+01 3.561125753e+01 1.90 6.899005246e+00 2.264419871e+01 3.208654884e+01 1.92 5.355407126e+00 2.013771790e+01 2.878663583e+01 1.94 3.985399968e+00 1.785116065e+01 2.570930494e+01 1.96 2.783461416e+00 1.576696668e+01 2.284844245e+01 1.98 1.735269971e+00 1.386505672e+01 2.019264079e+01 2.00 8.067073535e-01 1.213141089e+01 1.775052370e+01 2.02 -1.749784173e-02 1.053427767e+01 1.552820537e+01 2.04 -7.478720786e-01 9.044774404e+00 1.352800059e+01 2.06 -1.394185254e+00 7.641877520e+00 1.174090976e+01 2.08 -1.964465417e+00 6.329781606e+00 1.009954906e+01 2.10 -2.476203219e+00 5.113158677e+00 8.584849341e+00 2.12 -2.938885051e+00 3.992916015e+00 7.192583107e+00 2.14 -3.356002766e+00 2.965861419e+00 5.917783166e+00 2.16 -3.730820698e+00 2.025942863e+00 4.754858299e+00 2.18 -4.066390040e+00 1.166623820e+00 3.697726870e+00 2.20 -4.365562319e+00 3.814918663e-01 2.739956076e+00 2.22 -4.631002030e+00 -3.334949826e-01 1.874894351e+00 2.24 -4.865198475e+00 -9.820521864e-01 1.095786347e+00 2.26 -5.070476863e+00 -1.568212054e+00 3.885269286e-01 2.28 -5.249008715e+00 -2.096212828e+00 -2.630939880e-01 2.30 -5.402821615e+00 -2.570374910e+00 -8.627214076e-01 2.32 -5.533808352e+00 -2.994975893e+00 -1.416077218e+00 2.34 -5.643735487e+00 -3.374137181e+00 -1.929090136e+00 2.36 -5.734251386e+00 -3.711734224e+00 -2.403582064e+00 2.38 -5.806893745e+00 -4.011355881e+00 -2.839470342e+00 2.40 -5.863096652e+00 -4.278805093e+00 -3.237002461e+00 2.42 -5.904197194e+00 -4.518265944e+00 -3.596987282e+00 2.44 -5.931441661e+00 -4.731656988e+00 -3.920910676e+00 2.46 -5.945991355e+00 -4.920778772e+00 -4.210890493e+00 2.48 -5.948928032e+00 -5.087320859e+00 -4.469458806e+00 2.50 -5.941259014e+00 -5.232868428e+00 -4.699226648e+00 2.52 -5.923921965e+00 -5.358908491e+00 -4.902498683e+00 2.54 -5.897789378e+00 -5.466835739e+00 -5.080849284e+00 2.56 -5.863672775e+00 -5.557958044e+00 -5.235963478e+00 2.58 -5.822326648e+00 -5.632427165e+00 -5.369587860e+00 2.60 -5.774452145e+00 -5.689665029e+00 -5.483453184e+00 2.62 -5.720700530e+00 -5.730664182e+00 -5.579251174e+00 2.64 -5.661676422e+00 -5.756471817e+00 -5.658611514e+00 2.66 -5.595035925e+00 -5.768168512e+00 -5.723080468e+00 2.68 -5.512468750e+00 -5.766862474e+00 -5.774102491e+00 2.70 -5.410370544e+00 -5.753682283e+00 -5.813005935e+00 2.72 -5.287333834e+00 -5.729768289e+00 -5.840993679e+00 2.74 -5.143990040e+00 -5.696262853e+00 -5.859139056e+00 2.76 -4.981141938e+00 -5.654299609e+00 -5.868224760e+00 2.78 -4.799796432e+00 -5.604992013e+00 -5.868550556e+00 2.80 -4.601193375e+00 -5.549421414e+00 -5.860767655e+00 2.82 -4.386829781e+00 -5.488625003e+00 -5.845517108e+00 2.84 -4.158478882e+00 -5.423580474e+00 -5.823400171e+00 2.86 -3.918203439e+00 -5.354028326e+00 -5.794980601e+00 2.88 -3.668362636e+00 -5.279763257e+00 -5.760786823e+00 2.90 -3.411611585e+00 -5.201427203e+00 -5.721313974e+00 2.92 -3.150892152e+00 -5.119624241e+00 -5.677025834e+00 2.94 -2.889413275e+00 -5.034919513e+00 -5.628356645e+00 2.96 -2.630618432e+00 -4.947820960e+00 -5.575690286e+00 2.98 -2.378137369e+00 -4.854071445e+00 -5.513841529e+00 3.00 -2.135718869e+00 -4.750477316e+00 -5.439009999e+00 3.02 -1.907141413e+00 -4.637595493e+00 -5.351815025e+00 3.04 -1.696099493e+00 -4.516095015e+00 -5.252956673e+00 3.06 -1.506065328e+00 -4.386764359e+00 -5.143212459e+00 3.08 -1.340129308e+00 -4.250504692e+00 -5.023433170e+00 3.10 -1.200827559e+00 -4.107066859e+00 -4.894537869e+00 3.12 -1.089971158e+00 -3.956739583e+00 -4.757508233e+00 3.14 -1.008497339e+00 -3.800818901e+00 -4.613382352e+00 3.16 -9.563663687e-01 -3.640681940e+00 -4.463248139e+00 3.18 -9.314506973e-01 -3.477773976e+00 -4.308236527e+00 3.20 -9.157130867e-01 -3.313592834e+00 -4.149514584e+00 3.22 -9.000424856e-01 -3.149670613e+00 -3.988278688e+00 3.24 -8.844506986e-01 -2.987552798e+00 -3.825747840e+00 3.26 -8.689486931e-01 -2.828774895e+00 -3.663157150e+00 3.28 -8.535239349e-01 -2.674803345e+00 -3.501712427e+00 3.30 -8.355581065e-01 -2.523093937e+00 -3.337979777e+00 3.32 -8.134576725e-01 -2.372202324e+00 -3.169724883e+00 3.34 -7.875381804e-01 -2.223377641e+00 -2.997908583e+00 3.36 -7.581482172e-01 -2.077860541e+00 -2.823603151e+00 3.38 -7.256642040e-01 -1.935549949e+00 -2.647996720e+00 3.40 -6.904850717e-01 -1.795119961e+00 -2.472390254e+00 3.42 -6.530268806e-01 -1.657631475e+00 -2.298185220e+00 3.44 -6.137174417e-01 -1.524187082e+00 -2.126860590e+00 3.46 -5.729909959e-01 -1.395851647e+00 -1.959938809e+00 3.48 -5.312830071e-01 -1.273628029e+00 -1.798941897e+00 3.50 -4.890251209e-01 -1.158431950e+00 -1.645340803e+00 3.52 -4.466403371e-01 -1.051068066e+00 -1.500502901e+00 3.54 -4.045384437e-01 -9.522094016e-01 -1.365643709e+00 3.56 -3.631117539e-01 -8.620155292e-01 -1.241294478e+00 3.58 -3.227311861e-01 -7.746499688e-01 -1.119824536e+00 3.60 -2.837427211e-01 -6.885773541e-01 -9.992405049e-01 3.62 -2.464642665e-01 -6.046105490e-01 -8.807235417e-01 3.64 -2.111829552e-01 -5.235532756e-01 -7.654741900e-01 3.66 -1.781528967e-01 -4.461878407e-01 -6.546929253e-01 3.68 -1.475933966e-01 -3.732617760e-01 -5.495577883e-01 3.70 -1.196876535e-01 -3.054736798e-01 -4.511995051e-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 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