# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FeMoTi2 # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.578408523e+02 2.578408523e+02 1.30 2.376625191e+02 2.376625191e+02 1.32 2.190613896e+02 2.190613896e+02 1.34 2.018990368e+02 2.018990368e+02 1.36 1.860494876e+02 1.860494876e+02 1.38 1.713999910e+02 1.713999910e+02 1.40 1.578505023e+02 1.578505023e+02 1.42 1.453123570e+02 1.453123570e+02 1.44 1.337069942e+02 1.337069942e+02 1.46 1.229647653e+02 1.229647653e+02 1.48 1.130233686e+02 1.130233686e+02 1.50 1.038260550e+02 1.038260550e+02 1.52 9.532017943e+01 9.532017943e+01 1.54 8.745641910e+01 8.745641910e+01 1.56 8.018857726e+01 8.018857726e+01 1.58 7.347359030e+01 7.347359030e+01 1.60 6.727138056e+01 6.727138056e+01 1.62 6.154452550e+01 6.154452550e+01 1.64 5.625787521e+01 5.625787521e+01 1.66 5.137817299e+01 5.137817299e+01 1.68 4.687374735e+01 4.687374735e+01 1.70 4.271443963e+01 4.271443963e+01 1.72 3.887184782e+01 3.887184782e+01 1.74 3.531972635e+01 3.531972635e+01 1.76 3.203424575e+01 3.203424575e+01 1.78 2.899396969e+01 2.899396969e+01 1.80 2.618013737e+01 2.618013737e+01 1.82 2.357787620e+01 2.357787620e+01 1.84 2.117180267e+01 2.117180267e+01 1.86 1.894786554e+01 1.894786554e+01 1.88 1.689339377e+01 1.689339377e+01 1.90 1.499679205e+01 1.499679205e+01 1.92 1.324726174e+01 1.324726174e+01 1.94 1.163459405e+01 1.163459405e+01 1.96 1.014907353e+01 1.014907353e+01 1.98 8.781473040e+00 8.781473040e+00 2.00 7.523071951e+00 7.523071951e+00 2.02 6.365643741e+00 6.365643741e+00 2.04 5.301417440e+00 5.301417440e+00 2.06 4.323053538e+00 4.323053538e+00 2.08 3.423660857e+00 3.423660857e+00 2.10 2.596843364e+00 2.596843364e+00 2.12 1.836742623e+00 1.836742623e+00 2.14 1.138048824e+00 1.138048824e+00 2.16 4.959768500e-01 4.959768500e-01 2.18 -9.378322072e-02 -9.378322072e-02 2.20 -6.351301298e-01 -6.351301298e-01 2.22 -1.131622089e+00 -1.131622089e+00 2.24 -1.586543124e+00 -1.586543124e+00 2.26 -2.002953168e+00 -2.002953168e+00 2.28 -2.383714069e+00 -2.383714069e+00 2.30 -2.731491551e+00 -2.731491551e+00 2.32 -3.048743789e+00 -3.048743789e+00 2.34 -3.337705709e+00 -3.337705709e+00 2.36 -3.600382571e+00 -3.600382571e+00 2.38 -3.838559195e+00 -3.838559195e+00 2.40 -4.053827074e+00 -4.053827074e+00 2.42 -4.247622936e+00 -4.247622936e+00 2.44 -4.421268341e+00 -4.421268341e+00 2.46 -4.576002913e+00 -4.576002913e+00 2.48 -4.713007530e+00 -4.713007530e+00 2.50 -4.833417584e+00 -4.833417584e+00 2.52 -4.938327607e+00 -4.938327607e+00 2.54 -5.028789217e+00 -5.028789217e+00 2.56 -5.105768357e+00 -5.105768357e+00 2.58 -5.170113255e+00 -5.170113255e+00 2.60 -5.222820513e+00 -5.222820513e+00 2.62 -5.264827119e+00 -5.264827119e+00 2.64 -5.296992577e+00 -5.296992577e+00 2.66 -5.320116535e+00 -5.320116535e+00 2.68 -5.335025174e+00 -5.335025174e+00 2.70 -5.342311957e+00 -5.342311957e+00 2.72 -5.342489426e+00 -5.342489426e+00 2.74 -5.335916872e+00 -5.335916872e+00 2.76 -5.322830326e+00 -5.322830326e+00 2.78 -5.303488711e+00 -5.303488711e+00 2.80 -5.278178048e+00 -5.278178048e+00 2.82 -5.247206311e+00 -5.247206311e+00 2.84 -5.210785356e+00 -5.210785356e+00 2.86 -5.169026573e+00 -5.169026573e+00 2.88 -5.122105571e+00 -5.122105571e+00 2.90 -5.070249898e+00 -5.070249898e+00 2.92 -5.013737218e+00 -5.013737218e+00 2.94 -4.952883843e+00 -4.952883843e+00 2.96 -4.888032369e+00 -4.888032369e+00 2.98 -4.819540531e+00 -4.819540531e+00 3.00 -4.747734445e+00 -4.747734445e+00 3.02 -4.672738308e+00 -4.672738308e+00 3.04 -4.594652531e+00 -4.594652531e+00 3.06 -4.513628455e+00 -4.513628455e+00 3.08 -4.429846365e+00 -4.429846365e+00 3.10 -4.343493942e+00 -4.343493942e+00 3.12 -4.254748971e+00 -4.254748971e+00 3.14 -4.163770651e+00 -4.163770651e+00 3.16 -4.070698724e+00 -4.070698724e+00 3.18 -3.975660374e+00 -3.975660374e+00 3.20 -3.878780453e+00 -3.878780453e+00 3.22 -3.780192737e+00 -3.780192737e+00 3.24 -3.680049991e+00 -3.680049991e+00 3.26 -3.578531712e+00 -3.578531712e+00 3.28 -3.475849136e+00 -3.475849136e+00 3.30 -3.372247534e+00 -3.372247534e+00 3.32 -3.268006073e+00 -3.268006073e+00 3.34 -3.163435587e+00 -3.163435587e+00 3.36 -3.058874606e+00 -3.058874606e+00 3.38 -2.954683965e+00 -2.954683965e+00 3.40 -2.851240252e+00 -2.851240252e+00 3.42 -2.748928520e+00 -2.748928520e+00 3.44 -2.648134071e+00 -2.648134071e+00 3.46 -2.549234201e+00 -2.549234201e+00 3.48 -2.452589637e+00 -2.452589637e+00 3.50 -2.358536048e+00 -2.358536048e+00 3.52 -2.267375685e+00 -2.267375685e+00 3.54 -2.179369248e+00 -2.179369248e+00 3.56 -2.094728239e+00 -2.094728239e+00 3.58 -2.013608346e+00 -2.013608346e+00 3.60 -1.936104761e+00 -1.936104761e+00 3.62 -1.862250401e+00 -1.862250401e+00 3.64 -1.792017805e+00 -1.792017805e+00 3.66 -1.725324824e+00 -1.725324824e+00 3.68 -1.662043508e+00 -1.662043508e+00 3.70 -1.602011019e+00 -1.602011019e+00 3.72 -1.545041127e+00 -1.545041127e+00 3.74 -1.490935050e+00 -1.490935050e+00 3.76 -1.439490724e+00 -1.439490724e+00 3.78 -1.390510082e+00 -1.390510082e+00 3.80 -1.343804266e+00 -1.343804266e+00 3.82 -1.299196983e+00 -1.299196983e+00 3.84 -1.256526322e+00 -1.256526322e+00 3.86 -1.215645393e+00 -1.215645393e+00 3.88 -1.176422130e+00 -1.176422130e+00 3.90 -1.138738530e+00 -1.138738530e+00 3.92 -1.102489517e+00 -1.102489517e+00 3.94 -1.067581910e+00 -1.067581910e+00 3.96 -1.033932772e+00 -1.033932772e+00 3.98 -1.001468400e+00 -1.001468400e+00 4.00 -9.701230812e-01 -9.701230812e-01 4.02 -9.398380172e-01 -9.398380172e-01 4.04 -9.105603813e-01 -9.105603813e-01 4.06 -8.822424856e-01 -8.822424856e-01 4.08 -8.548410643e-01 -8.548410643e-01 4.10 -8.283165077e-01 -8.283165077e-01 4.12 -8.026329656e-01 -8.026329656e-01 4.14 -7.777569100e-01 -7.777569100e-01 4.16 -7.536574530e-01 -7.536574530e-01 4.18 -7.303058391e-01 -7.303058391e-01 4.20 -7.076751714e-01 -7.076751714e-01 4.22 -6.857401786e-01 -6.857401786e-01 4.24 -6.644770156e-01 -6.644770156e-01 4.26 -6.438630933e-01 -6.438630933e-01 4.28 -6.238769317e-01 -6.238769317e-01 4.30 -6.044980340e-01 -6.044980340e-01 4.32 -5.857067761e-01 -5.857067761e-01 4.34 -5.674843116e-01 -5.674843116e-01 4.36 -5.498124867e-01 -5.498124867e-01 4.38 -5.326737668e-01 -5.326737668e-01 4.40 -5.160511693e-01 -5.160511693e-01 4.42 -4.999282042e-01 -4.999282042e-01 4.44 -4.842888201e-01 -4.842888201e-01 4.46 -4.691173549e-01 -4.691173549e-01 4.48 -4.543984901e-01 -4.543984901e-01 4.50 -4.401172096e-01 -4.401172096e-01 4.52 -4.262587609e-01 -4.262587609e-01 4.54 -4.128086202e-01 -4.128086202e-01 4.56 -3.997524611e-01 -3.997524611e-01 4.58 -3.870761271e-01 -3.870761271e-01 4.60 -3.747656102e-01 -3.747656102e-01 4.62 -3.628070354e-01 -3.628070354e-01 4.64 -3.511866538e-01 -3.511866538e-01 4.66 -3.398908472e-01 -3.398908472e-01 4.68 -3.289061464e-01 -3.289061464e-01 4.70 -3.182192668e-01 -3.182192668e-01 4.72 -3.078171658e-01 -3.078171658e-01 4.74 -2.976871258e-01 -2.976871258e-01 4.76 -2.878168659e-01 -2.878168659e-01 4.78 -2.781946867e-01 -2.781946867e-01 4.80 -2.688095648e-01 -2.688095648e-01 4.82 -2.596517098e-01 -2.596517098e-01 4.84 -2.507122551e-01 -2.507122551e-01 4.86 -2.419838883e-01 -2.419838883e-01 4.88 -2.334609956e-01 -2.334609956e-01 4.90 -2.251398783e-01 -2.251398783e-01 4.92 -2.170189078e-01 -2.170189078e-01 4.94 -2.090985868e-01 -2.090985868e-01 4.96 -2.013814820e-01 -2.013814820e-01 4.98 -1.938720051e-01 -1.938720051e-01 5.00 -1.865760321e-01 -1.865760321e-01 5.02 -1.795003698e-01 -1.795003698e-01 5.04 -1.726521048e-01 -1.726521048e-01 5.06 -1.660378900e-01 -1.660378900e-01 5.08 -1.596631195e-01 -1.596631195e-01 5.10 -1.535312589e-01 -1.535312589e-01 5.12 -1.476440157e-01 -1.476440157e-01 5.14 -1.420005296e-01 -1.420005296e-01 5.16 -1.365972477e-01 -1.365972477e-01 5.18 -1.314280357e-01 -1.314280357e-01 5.20 -1.264844484e-01 -1.264844484e-01 5.22 -1.217561092e-01 -1.217561092e-01 5.24 -1.172311464e-01 -1.172311464e-01 5.26 -1.128966378e-01 -1.128966378e-01 5.28 -1.087390268e-01 -1.087390268e-01 5.30 -1.047444840e-01 -1.047444840e-01 5.32 -1.008992039e-01 -1.008992039e-01 5.34 -9.718963260e-02 -9.718963260e-02 5.36 -9.360263243e-02 -9.360263243e-02 5.38 -9.012559488e-02 -9.012559488e-02 5.40 -8.674651257e-02 -8.674651257e-02 5.42 -8.345402446e-02 -8.345402446e-02 5.44 -8.023744624e-02 -8.023744624e-02 5.46 -7.708679725e-02 -7.708679725e-02 5.48 -7.399283314e-02 -7.399283314e-02 5.50 -7.094709178e-02 -7.094709178e-02 5.52 -6.794195786e-02 -6.794195786e-02 5.54 -6.497074913e-02 -6.497074913e-02 5.56 -6.202782509e-02 -6.202782509e-02 5.58 -5.910871562e-02 -5.910871562e-02 5.60 -5.621026423e-02 -5.621026423e-02 5.62 -5.333077697e-02 -5.333077697e-02 5.64 -5.047016425e-02 -5.047016425e-02 5.66 -4.763005955e-02 -4.763005955e-02 5.68 -4.481389899e-02 -4.481389899e-02 5.70 -4.202693834e-02 -4.202693834e-02 5.72 -3.927619211e-02 -3.927619211e-02 5.74 -3.657028023e-02 -3.657028023e-02 5.76 -3.391917484e-02 -3.391917484e-02 5.78 -3.133385038e-02 -3.133385038e-02 5.80 -2.882584362e-02 -2.882584362e-02 5.82 -2.640675923e-02 -2.640675923e-02 5.84 -2.408774821e-02 -2.408774821e-02 5.86 -2.187899707e-02 -2.187899707e-02 5.88 -1.978926945e-02 -1.978926945e-02 5.90 -1.782553542e-02 -1.782553542e-02 5.92 -1.599257684e-02 -1.599257684e-02 5.94 -1.429281102e-02 -1.429281102e-02 5.96 -1.272703225e-02 -1.272703225e-02 5.98 -1.129392831e-02 -1.129392831e-02 6.00 -9.990256768e-03 -9.990256768e-03