# 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 = CuMo3 # 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 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.885041718e+02 nan nan 1.16 2.645628978e+02 nan nan 1.18 2.426388403e+02 nan nan 1.20 2.225439191e+02 nan nan 1.22 2.041102488e+02 nan nan 1.24 1.871845365e+02 nan nan 1.26 1.716251585e+02 nan nan 1.28 1.573027946e+02 2.482707556e+02 2.868083255e+02 1.30 1.441029048e+02 2.293181854e+02 2.654779410e+02 1.32 1.319274810e+02 2.118455105e+02 2.457361223e+02 1.34 1.206942857e+02 1.957160354e+02 2.274357500e+02 1.36 1.103337689e+02 1.807994300e+02 2.104529016e+02 1.38 1.007851443e+02 1.669760631e+02 1.946854043e+02 1.40 9.199279265e+01 1.541412962e+02 1.800470412e+02 1.42 8.390351168e+01 1.422074226e+02 1.664612929e+02 1.44 7.646484033e+01 1.311023520e+02 1.538572813e+02 1.46 6.962448761e+01 1.207660985e+02 1.421679611e+02 1.48 6.333077151e+01 1.111470029e+02 1.313292495e+02 1.50 5.753388810e+01 1.021990762e+02 1.212792895e+02 1.52 5.218761187e+01 9.388069220e+01 1.119579945e+02 1.54 4.725083409e+01 8.615401845e+01 1.033072696e+02 1.56 4.268843040e+01 7.898450113e+01 9.527197412e+01 1.58 3.847125969e+01 7.234016702e+01 8.780124577e+01 1.60 3.457539177e+01 6.619086035e+01 8.084956037e+01 1.62 3.098081585e+01 6.050754309e+01 7.437701656e+01 1.64 2.767550566e+01 5.526168825e+01 6.834877437e+01 1.66 2.464748092e+01 5.042480473e+01 6.273400866e+01 1.68 2.187962861e+01 4.596817331e+01 5.750489031e+01 1.70 1.935465332e+01 4.186283080e+01 5.263595111e+01 1.72 1.705508478e+01 3.807977068e+01 4.810387486e+01 1.74 1.496346744e+01 3.459031382e+01 4.388749469e+01 1.76 1.306264785e+01 3.136662711e+01 3.996772186e+01 1.78 1.133599849e+01 2.838544672e+01 3.632727019e+01 1.80 9.767525338e+00 2.562875782e+01 3.295021702e+01 1.82 8.341892373e+00 2.307503903e+01 2.982186273e+01 1.84 7.044454672e+00 2.070545068e+01 2.693347201e+01 1.86 5.861381040e+00 1.850466291e+01 2.427250718e+01 1.88 4.779875880e+00 1.646048854e+01 2.182435700e+01 1.90 3.788434390e+00 1.456322982e+01 1.957437674e+01 1.92 2.877039520e+00 1.280487831e+01 1.750780244e+01 1.94 2.037240948e+00 1.117837471e+01 1.560957825e+01 1.96 1.262107617e+00 9.677057755e+00 1.386438169e+01 1.98 5.460763727e-01 8.294326292e+00 1.225689647e+01 2.00 -1.152746587e-01 7.023467404e+00 1.077232022e+01 2.02 -7.254967103e-01 5.857585411e+00 9.396999306e+00 2.04 -1.287545565e+00 4.789586848e+00 8.119011968e+00 2.06 -1.804020351e+00 3.812206732e+00 6.928529560e+00 2.08 -2.277339254e+00 2.918081903e+00 5.817871183e+00 2.10 -2.709847493e+00 2.099880014e+00 4.781277612e+00 2.12 -3.103869569e+00 1.350479103e+00 3.814506014e+00 2.14 -3.461723955e+00 6.631715532e-01 2.914364346e+00 2.16 -3.785716396e+00 3.185042239e-02 2.078278974e+00 2.18 -4.078122579e+00 -5.488638365e-01 1.303949393e+00 2.20 -4.341165524e+00 -1.083581107e+00 5.891096895e-01 2.22 -4.576989550e+00 -1.576183114e+00 -6.860667431e-02 2.24 -4.787631963e+00 -2.029926761e+00 -6.717167275e-01 2.26 -4.974994887e+00 -2.447578083e+00 -1.222879410e+00 2.28 -5.140821145e+00 -2.831547489e+00 -1.724858486e+00 2.30 -5.286677785e+00 -3.184004214e+00 -2.180482381e+00 2.32 -5.413948641e+00 -3.506956382e+00 -2.592615560e+00 2.34 -5.523823208e+00 -3.802292650e+00 -2.964144016e+00 2.36 -5.616942827e+00 -4.071791921e+00 -3.297968948e+00 2.38 -5.694331413e+00 -4.317115747e+00 -3.596999499e+00 2.40 -5.757127821e+00 -4.539799134e+00 -3.864136540e+00 2.42 -5.806284028e+00 -4.741249311e+00 -4.102243202e+00 2.44 -5.842600056e+00 -4.922753366e+00 -4.314102904e+00 2.46 -5.866758085e+00 -5.085490221e+00 -4.502370580e+00 2.48 -5.879354045e+00 -5.230541829e+00 -4.669525956e+00 2.50 -5.880885642e+00 -5.358900931e+00 -4.817837777e+00 2.52 -5.871237693e+00 -5.471475538e+00 -4.949344391e+00 2.54 -5.849947841e+00 -5.568973542e+00 -5.065850769e+00 2.56 -5.816693765e+00 -5.652011104e+00 -5.168937273e+00 2.58 -5.771292208e+00 -5.721389771e+00 -5.259973930e+00 2.60 -5.713684346e+00 -5.777974635e+00 -5.340125728e+00 2.62 -5.644103604e+00 -5.822602168e+00 -5.410031936e+00 2.64 -5.562709530e+00 -5.856036166e+00 -5.470670221e+00 2.66 -5.469510335e+00 -5.878990337e+00 -5.523100186e+00 2.68 -5.364687972e+00 -5.892147515e+00 -5.568185296e+00 2.70 -5.248615228e+00 -5.896156511e+00 -5.606638511e+00 2.72 -5.121878035e+00 -5.891363974e+00 -5.639061074e+00 2.74 -4.985295793e+00 -5.877901831e+00 -5.665971867e+00 2.76 -4.839934253e+00 -5.855869242e+00 -5.687826853e+00 2.78 -4.687126345e+00 -5.825307806e+00 -5.704989410e+00 2.80 -4.528415801e+00 -5.786308835e+00 -5.717417964e+00 2.82 -4.365472775e+00 -5.739016580e+00 -5.724916799e+00 2.84 -4.200006930e+00 -5.683748124e+00 -5.727342567e+00 2.86 -4.033668744e+00 -5.620901793e+00 -5.724582062e+00 2.88 -3.867953896e+00 -5.550489395e+00 -5.716531945e+00 2.90 -3.704126203e+00 -5.472629221e+00 -5.703082892e+00 2.92 -3.543170982e+00 -5.387570617e+00 -5.684111736e+00 2.94 -3.385784262e+00 -5.295688820e+00 -5.659645860e+00 2.96 -3.232396024e+00 -5.197471142e+00 -5.629458732e+00 2.98 -3.083219576e+00 -5.093509674e+00 -5.593160697e+00 3.00 -2.938315496e+00 -4.984496400e+00 -5.550364189e+00 3.02 -2.797657854e+00 -4.871136118e+00 -5.500687272e+00 3.04 -2.661192035e+00 -4.754095382e+00 -5.443759909e+00 3.06 -2.528876783e+00 -4.633965744e+00 -5.379231832e+00 3.08 -2.400707079e+00 -4.511235056e+00 -5.306780717e+00 3.10 -2.276718294e+00 -4.386270013e+00 -5.226130310e+00 3.12 -2.156975280e+00 -4.259311245e+00 -5.137075719e+00 3.14 -2.041552015e+00 -4.130480388e+00 -5.039461167e+00 3.16 -1.930508146e+00 -3.999797214e+00 -4.933177346e+00 3.18 -1.823868150e+00 -3.867204253e+00 -4.818164801e+00 3.20 -1.721607269e+00 -3.732596261e+00 -4.694418762e+00 3.22 -1.623646336e+00 -3.595852283e+00 -4.561997188e+00 3.24 -1.529855564e+00 -3.456868514e+00 -4.421033381e+00 3.26 -1.440065755e+00 -3.315590534e+00 -4.271753688e+00 3.28 -1.354084423e+00 -3.172043617e+00 -4.114499678e+00 3.30 -1.271713962e+00 -3.026359719e+00 -3.949752944e+00 3.32 -1.192769179e+00 -2.878799483e+00 -3.778159556e+00 3.34 -1.117091996e+00 -2.729767353e+00 -3.600550393e+00 3.36 -1.044561776e+00 -2.579817833e+00 -3.417953164e+00 3.38 -9.751004601e-01 -2.429651178e+00 -3.231592200e+00 3.40 -9.086723148e-01 -2.280097457e+00 -3.042872968e+00 3.42 -8.452787562e-01 -2.132089031e+00 -2.853349874e+00 3.44 -7.849491629e-01 -1.986622799e+00 -2.664677998e+00 3.46 -7.277289939e-01 -1.844714970e+00 -2.478551752e+00 3.48 -6.736667250e-01 -1.707352277e+00 -2.296635561e+00 3.50 -6.228011268e-01 -1.575444206e+00 -2.120493105e+00 3.52 -5.751502300e-01 -1.449780791e+00 -1.951522101e+00 3.54 -5.307029796e-01 -1.330999770e+00 -1.790900925e+00 3.56 -4.894141399e-01 -1.219565647e+00 -1.639551646e+00 3.58 -4.512025510e-01 -1.115761591e+00 -1.498121756e+00 3.60 -4.159524354e-01 -1.019693551e+00 -1.366984427e+00 3.62 -3.835171681e-01 -9.313046980e-01 -1.246255006e+00 3.64 -3.537247725e-01 -8.503975173e-01 -1.135820020e+00 3.66 -3.263843923e-01 -7.766605599e-01 -1.035374278e+00 3.68 -3.012929839e-01 -7.096970186e-01 -9.444617404e-01 3.70 -2.782419458e-01 -6.490527292e-01 -8.625163791e-01 3.72 -2.570234994e-01 -5.942417906e-01 -7.889001825e-01 3.74 -2.374355843e-01 -5.447686101e-01 -7.229364307e-01 3.76 -2.192864315e-01 -5.001457241e-01 -6.639372738e-01 3.78 -2.023983980e-01 -4.599071838e-01 -6.112253859e-01 3.80 -1.866111174e-01 -4.236176294e-01 -5.641499972e-01 3.82 -1.717840373e-01 -3.908774267e-01 -5.220979329e-01 3.84 -1.577983604e-01 -3.613244289e-01 -4.845004541e-01 3.86 -1.445583402e-01 -3.346330671e-01 -4.508367317e-01 3.88 -1.319918105e-01 -3.105115614e-01 -4.206347431e-01 3.90 -1.200497793e-01 -2.886980592e-01 -3.934702894e-01 3.92 -1.087049208e-01 -2.689564394e-01 -3.689647177e-01 3.94 -9.794886253e-02 -2.510723699e-01 -3.467818220e-01 3.96 -8.778830392e-02 -2.348499976e-01 -3.266242864e-01 3.98 -7.824018701e-02 -2.201094340e-01 -3.082299437e-01 4.00 -6.932632438e-02 -2.066850070e-01 -2.913680458e-01 4.02 -6.106806224e-02 -1.944241375e-01 -2.758356831e-01 4.04 -5.348152529e-02 -1.831866389e-01 -2.614544410e-01 4.06 -4.657397299e-02 -1.728441511e-01 -2.480673506e-01 4.08 -4.034157160e-02 -1.632797481e-01 -2.355361692e-01 4.10 -3.476870963e-02 -1.543878363e-01 -2.237390020e-01 4.12 -2.982867484e-02 -1.460733460e-01 -2.125681227e-01 4.14 -2.548529739e-02 -1.382510826e-01 -2.019286225e-01 4.16 -2.169447456e-02 -1.308453398e-01 -1.917370163e-01 4.18 -1.840871181e-02 -1.237898310e-01 -1.819200665e-01 4.20 -1.557856463e-02 -1.170267023e-01 -1.724141491e-01 4.22 -1.315419030e-02 -1.105062564e-01 -1.631649073e-01 4.24 -1.108718482e-02 -1.041867843e-01 -1.541271658e-01 4.26 -9.331901004e-03 -9.803448580e-02 -1.452650572e-01 4.28 -7.846292805e-03 -9.202346271e-02 -1.365522920e-01 4.30 -6.592363938e-03 -8.613574021e-02 -1.279724762e-01 4.32 -5.536309660e-03 -8.036124887e-02 -1.195193573e-01 4.34 -4.648437073e-03 -7.469768351e-02 -1.111968636e-01 4.36 -3.902937774e-03 -6.915014914e-02 -1.030187987e-01 4.38 -3.277572522e-03 -6.373051403e-02 -9.500806730e-02 4.40 -2.753312497e-03 -5.845641668e-02 -8.719535644e-02 4.42 -2.313969501e-03 -5.334991733e-02 -7.961725764e-02 4.44 -1.945836065e-03 -4.843583822e-02 -7.231390093e-02 4.46 -1.637348845e-03 -4.373990641e-02 -6.532626996e-02 4.48 -1.378782367e-03 -3.928683642e-02 -5.869341573e-02 4.50 -1.161976063e-03 -3.509852877e-02 -5.244982463e-02 4.52 -9.800947638e-04 -3.119256444e-02 -4.662321984e-02 4.54 -8.274211656e-04 -2.758110611e-02 -4.123296416e-02 4.56 -6.991775273e-04 -2.427032156e-02 -3.628923185e-02 4.58 -5.913738184e-04 -2.126030640e-02 -3.179292947e-02 4.60 -5.006790392e-04 -1.854544862e-02 -2.773627041e-02 4.62 -4.243127326e-04 -1.611495608e-02 -2.410363328e-02 4.64 -3.599538364e-04 -1.395384464e-02 -2.087291479e-02 4.66 -3.056643404e-04 -1.204481213e-02 -1.801850699e-02 4.68 -2.598254842e-04 -1.036844538e-02 -1.551160213e-02 4.70 -2.210845195e-04 -8.904183435e-03 -1.332161397e-02 4.72 -1.883103462e-04 -7.631182430e-03 -1.141748606e-02 4.74 -1.605565777e-04 -6.529003217e-03 -9.768731954e-03 4.76 -1.370308073e-04 -5.578121877e-03 -8.346207885e-03 4.78 -1.170690399e-04 -4.760278416e-03 -7.122641447e-03 4.80 -1.001144264e-04 -4.058687395e-03 -6.072952041e-03 4.82 -8.569957446e-05 -3.458137668e-03 -5.174403895e-03 4.84 -7.343182949e-05 -2.945007213e-03 -4.406631532e-03 4.86 -6.298102295e-05 -2.507217547e-03 -3.751573545e-03 4.88 -5.406927070e-05 -2.134147241e-03 -3.193344850e-03 4.90 -4.646247298e-05 -1.816520772e-03 -2.718071543e-03 4.92 -3.996322693e-05 -1.546284882e-03 -2.313706735e-03 4.94 -3.440491396e-05 -1.316481347e-03 -1.969840769e-03 4.96 -2.964676321e-05 -1.121122302e-03 -1.677515098e-03 4.98 -2.556972633e-05 -9.550721423e-04 -1.429045853e-03 5.00 -2.207302769e-05 -8.139383464e-04 -1.217860701e-03 5.02 -1.907127701e-05 -6.939724238e-04 -1.038350756e-03 5.04 -1.649205062e-05 -5.919813200e-04 -8.857381125e-04 5.06 -1.427386313e-05 -5.052490767e-04 -7.559586855e-04 5.08 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-2.602168670e-06 -3.891640685e-06 5.80 -1.127331743e-07 -2.274395855e-06 -3.401408177e-06 5.82 -1.000261379e-07 -1.989048564e-06 -2.974634134e-06 5.84 -8.879459236e-08 -1.740488409e-06 -2.602884215e-06 5.86 -7.886201325e-08 -1.523845776e-06 -2.278874158e-06 5.88 -7.007363638e-08 -1.334912377e-06 -1.996309036e-06 5.90 -6.229369418e-08 -1.170049191e-06 -1.749745518e-06 5.92 -5.540301377e-08 -1.026107522e-06 -1.534473766e-06 5.94 -4.929692783e-08 -9.003612696e-07 -1.346416117e-06 5.96 -4.388345610e-08 -7.904487848e-07 -1.182040087e-06 5.98 -3.908172173e-08 -6.943229181e-07 -1.038283650e-06 6.00 -3.482057124e-08 -6.102080824e-07 -9.124909984e-07