# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ti-Co # implementation = 2025--Sharifi-H--Cr-Ti-Co--LAMMPS--ipr1 # composition = CoCr2Ti # 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 2025-07-01 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 2.459433317e+02 2.459433317e+02 1.00 2.286329240e+02 2.286329240e+02 1.02 2.124415945e+02 2.124415945e+02 1.04 1.983746700e+02 1.983746700e+02 1.06 1.860239504e+02 1.860239504e+02 1.08 1.748937286e+02 1.748937286e+02 1.10 1.646381916e+02 1.646381916e+02 1.12 1.550221491e+02 1.550221491e+02 1.14 1.458907121e+02 1.458907121e+02 1.16 1.371463041e+02 1.371463041e+02 1.18 1.287313976e+02 1.287313976e+02 1.20 1.206156633e+02 1.206156633e+02 1.22 1.127865176e+02 1.127865176e+02 1.24 1.052422750e+02 1.052422750e+02 1.26 9.798727368e+01 9.798727368e+01 1.28 9.102849616e+01 9.102849616e+01 1.30 8.437329974e+01 8.437329974e+01 1.32 7.802796659e+01 7.802796659e+01 1.34 7.199685114e+01 7.199685114e+01 1.36 6.628195309e+01 6.628195309e+01 1.38 6.088278382e+01 6.088278382e+01 1.40 5.579643147e+01 5.579643147e+01 1.42 5.101775412e+01 5.101775412e+01 1.44 4.653964939e+01 4.653964939e+01 1.46 4.235335548e+01 4.235335548e+01 1.48 3.844876335e+01 3.844876335e+01 1.50 3.481472170e+01 3.481472170e+01 1.52 3.143932319e+01 3.143932319e+01 1.54 2.831016345e+01 2.831016345e+01 1.56 2.541456723e+01 2.541456723e+01 1.58 2.273978629e+01 2.273978629e+01 1.60 2.027316718e+01 2.027316718e+01 1.62 1.800227329e+01 1.800227329e+01 1.64 1.591488968e+01 1.591488968e+01 1.66 1.399904915e+01 1.399904915e+01 1.68 1.224312868e+01 1.224312868e+01 1.70 1.063592753e+01 1.063592753e+01 1.72 9.166724549e+00 9.166724549e+00 1.74 7.825318298e+00 7.825318298e+00 1.76 6.602052502e+00 6.602052502e+00 1.78 5.487828757e+00 5.487828757e+00 1.80 4.474110227e+00 4.474110227e+00 1.82 3.552913842e+00 3.552913842e+00 1.84 2.716797303e+00 2.716797303e+00 1.86 1.958842597e+00 1.958842597e+00 1.88 1.272635813e+00 1.272635813e+00 1.90 6.522457067e-01 6.522457067e-01 1.92 9.219884290e-02 9.219884290e-02 1.94 -4.125479669e-01 -4.125479669e-01 1.96 -8.666337098e-01 -8.666337098e-01 1.98 -1.274319117e+00 -1.274319117e+00 2.00 -1.639512114e+00 -1.639512114e+00 2.02 -1.965843288e+00 -1.965843288e+00 2.04 -2.256838595e+00 -2.256838595e+00 2.06 -2.515748197e+00 -2.515748197e+00 2.08 -2.745508320e+00 -2.745508320e+00 2.10 -2.948709665e+00 -2.948709665e+00 2.12 -3.127677302e+00 -3.127677302e+00 2.14 -3.284533136e+00 -3.284533136e+00 2.16 -3.421214473e+00 -3.421214473e+00 2.18 -3.539491037e+00 -3.539491037e+00 2.20 -3.640981403e+00 -3.640981403e+00 2.22 -3.727164814e+00 -3.727164814e+00 2.24 -3.799393036e+00 -3.799393036e+00 2.26 -3.858901719e+00 -3.858901719e+00 2.28 -3.906820713e+00 -3.906820713e+00 2.30 -3.944183439e+00 -3.944183439e+00 2.32 -3.971935404e+00 -3.971935404e+00 2.34 -3.990941942e+00 -3.990941942e+00 2.36 -4.001995244e+00 -4.001995244e+00 2.38 -4.005820751e+00 -4.005820751e+00 2.40 -4.003082964e+00 -4.003082964e+00 2.42 -3.994390726e+00 -3.994390726e+00 2.44 -3.980302023e+00 -3.980302023e+00 2.46 -3.961328352e+00 -3.961328352e+00 2.48 -3.937938685e+00 -3.937938685e+00 2.50 -3.910563085e+00 -3.910563085e+00 2.52 -3.879595980e+00 -3.879595980e+00 2.54 -3.845397154e+00 -3.845397154e+00 2.56 -3.808274495e+00 -3.808274495e+00 2.58 -3.768499095e+00 -3.768499095e+00 2.60 -3.726323112e+00 -3.726323112e+00 2.62 -3.681981318e+00 -3.681981318e+00 2.64 -3.635692291e+00 -3.635692291e+00 2.66 -3.587659508e+00 -3.587659508e+00 2.68 -3.538072387e+00 -3.538072387e+00 2.70 -3.487107248e+00 -3.487107248e+00 2.72 -3.434928218e+00 -3.434928218e+00 2.74 -3.381688076e+00 -3.381688076e+00 2.76 -3.327529024e+00 -3.327529024e+00 2.78 -3.272583389e+00 -3.272583389e+00 2.80 -3.216974250e+00 -3.216974250e+00 2.82 -3.160815979e+00 -3.160815979e+00 2.84 -3.104214722e+00 -3.104214722e+00 2.86 -3.047268804e+00 -3.047268804e+00 2.88 -2.990069097e+00 -2.990069097e+00 2.90 -2.932699347e+00 -2.932699347e+00 2.92 -2.875236488e+00 -2.875236488e+00 2.94 -2.817750944e+00 -2.817750944e+00 2.96 -2.760306928e+00 -2.760306928e+00 2.98 -2.702962745e+00 -2.702962745e+00 3.00 -2.645771081e+00 -2.645771081e+00 3.02 -2.588779291e+00 -2.588779291e+00 3.04 -2.532029667e+00 -2.532029667e+00 3.06 -2.475559693e+00 -2.475559693e+00 3.08 -2.419402269e+00 -2.419402269e+00 3.10 -2.363585927e+00 -2.363585927e+00 3.12 -2.308135022e+00 -2.308135022e+00 3.14 -2.253069908e+00 -2.253069908e+00 3.16 -2.198407106e+00 -2.198407106e+00 3.18 -2.144159460e+00 -2.144159460e+00 3.20 -2.090336294e+00 -2.090336294e+00 3.22 -2.036943561e+00 -2.036943561e+00 3.24 -1.983984000e+00 -1.983984000e+00 3.26 -1.931457297e+00 -1.931457297e+00 3.28 -1.879360256e+00 -1.879360256e+00 3.30 -1.827686994e+00 -1.827686994e+00 3.32 -1.776429154e+00 -1.776429154e+00 3.34 -1.725576155e+00 -1.725576155e+00 3.36 -1.675115484e+00 -1.675115484e+00 3.38 -1.625033046e+00 -1.625033046e+00 3.40 -1.575313573e+00 -1.575313573e+00 3.42 -1.525941124e+00 -1.525941124e+00 3.44 -1.476899674e+00 -1.476899674e+00 3.46 -1.428173821e+00 -1.428173821e+00 3.48 -1.379749618e+00 -1.379749618e+00 3.50 -1.331615543e+00 -1.331615543e+00 3.52 -1.283763628e+00 -1.283763628e+00 3.54 -1.236190728e+00 -1.236190728e+00 3.56 -1.188899948e+00 -1.188899948e+00 3.58 -1.141902184e+00 -1.141902184e+00 3.60 -1.095217751e+00 -1.095217751e+00 3.62 -1.048878024e+00 -1.048878024e+00 3.64 -1.002927012e+00 -1.002927012e+00 3.66 -9.574227279e-01 -9.574227279e-01 3.68 -9.124382206e-01 -9.124382206e-01 3.70 -8.680620796e-01 -8.680620796e-01 3.72 -8.243982425e-01 -8.243982425e-01 3.74 -7.815649194e-01 -7.815649194e-01 3.76 -7.396924919e-01 -7.396924919e-01 3.78 -6.989203032e-01 -6.989203032e-01 3.80 -6.593923464e-01 -6.593923464e-01 3.82 -6.212519762e-01 -6.212519762e-01 3.84 -5.846358935e-01 -5.846358935e-01 3.86 -5.496677844e-01 -5.496677844e-01 3.88 -5.164520810e-01 -5.164520810e-01 3.90 -4.850683722e-01 -4.850683722e-01 3.92 -4.555669763e-01 -4.555669763e-01 3.94 -4.279661013e-01 -4.279661013e-01 3.96 -4.022508880e-01 -4.022508880e-01 3.98 -3.783744387e-01 -3.783744387e-01 4.00 -3.562607336e-01 -3.562607336e-01 4.02 -3.358091617e-01 -3.358091617e-01 4.04 -3.169002300e-01 -3.169002300e-01 4.06 -2.994019400e-01 -2.994019400e-01 4.08 -2.831762854e-01 -2.831762854e-01 4.10 -2.680853667e-01 -2.680853667e-01 4.12 -2.539967043e-01 -2.539967043e-01 4.14 -2.407874505e-01 -2.407874505e-01 4.16 -2.283473455e-01 -2.283473455e-01 4.18 -2.165803889e-01 -2.165803889e-01 4.20 -2.054053280e-01 -2.054053280e-01 4.22 -1.947551524e-01 -1.947551524e-01 4.24 -1.845758404e-01 -1.845758404e-01 4.26 -1.748002712e-01 -1.748002712e-01 4.28 -1.649106242e-01 -1.649106242e-01 4.30 -1.536168370e-01 -1.536168370e-01 4.32 -1.407161975e-01 -1.407161975e-01 4.34 -1.313924937e-01 -1.313924937e-01 4.36 -1.236708773e-01 -1.236708773e-01 4.38 -1.162471496e-01 -1.162471496e-01 4.40 -1.091110926e-01 -1.091110926e-01 4.42 -1.022532947e-01 -1.022532947e-01 4.44 -9.566487929e-02 -9.566487929e-02 4.46 -8.933734324e-02 -8.933734324e-02 4.48 -8.326246570e-02 -8.326246570e-02 4.50 -7.743225926e-02 -7.743225926e-02 4.52 -7.183894487e-02 -7.183894487e-02 4.54 -6.647493910e-02 -6.647493910e-02 4.56 -6.133284746e-02 -6.133284746e-02 4.58 -5.640546029e-02 -5.640546029e-02 4.60 -5.168574986e-02 -5.168574986e-02 4.62 -4.716686773e-02 -4.716686773e-02 4.64 -4.284214221e-02 -4.284214221e-02 4.66 -3.870507582e-02 -3.870507582e-02 4.68 -3.474934268e-02 -3.474934268e-02 4.70 -3.096878580e-02 -3.096878580e-02 4.72 -2.735741437e-02 -2.735741437e-02 4.74 -2.390940094e-02 -2.390940094e-02 4.76 -2.061907861e-02 -2.061907861e-02 4.78 -1.748093815e-02 -1.748093815e-02 4.80 -1.448962509e-02 -1.448962509e-02 4.82 -1.163993678e-02 -1.163993678e-02 4.84 -8.926819479e-03 -8.926819479e-03 4.86 -6.345365344e-03 -6.345365344e-03 4.88 -3.890809515e-03 -3.890809515e-03 4.90 -1.558527112e-03 -1.558527112e-03 4.92 6.420766527e-04 6.420766527e-04 4.94 2.444515684e-03 2.444515684e-03 4.96 2.893945964e-03 2.893945964e-03 4.98 1.143062824e-03 1.143062824e-03 5.00 4.631691301e-25 4.613696341e-25 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00