# 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 = Co2CuTa # 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 1.720003330e+02 1.720003330e+02 1.30 1.580785623e+02 1.580785623e+02 1.32 1.452565869e+02 1.452565869e+02 1.34 1.334417477e+02 1.334417477e+02 1.36 1.225508577e+02 1.225508577e+02 1.38 1.125094588e+02 1.125094588e+02 1.40 1.032505411e+02 1.032505411e+02 1.42 9.471308222e+01 9.471308222e+01 1.44 8.684031931e+01 8.684031931e+01 1.46 7.957826802e+01 7.957826802e+01 1.48 7.287519668e+01 7.287519668e+01 1.50 6.668206982e+01 6.668206982e+01 1.52 6.095343707e+01 6.095343707e+01 1.54 5.564829750e+01 5.564829750e+01 1.56 5.073062906e+01 5.073062906e+01 1.58 4.616937709e+01 4.616937709e+01 1.60 4.193791487e+01 4.193791487e+01 1.62 3.801318469e+01 3.801318469e+01 1.64 3.437475447e+01 3.437475447e+01 1.66 3.100399861e+01 3.100399861e+01 1.68 2.788427986e+01 2.788427986e+01 1.70 2.500391970e+01 2.500391970e+01 1.72 2.234766111e+01 2.234766111e+01 1.74 1.989996470e+01 1.989996470e+01 1.76 1.764695001e+01 1.764695001e+01 1.78 1.557487638e+01 1.557487638e+01 1.80 1.367027527e+01 1.367027527e+01 1.82 1.192073784e+01 1.192073784e+01 1.84 1.031492435e+01 1.031492435e+01 1.86 8.842422237e+00 8.842422237e+00 1.88 7.493535742e+00 7.493535742e+00 1.90 6.259086178e+00 6.259086178e+00 1.92 5.130271213e+00 5.130271213e+00 1.94 4.098607382e+00 4.098607382e+00 1.96 3.155956239e+00 3.155956239e+00 1.98 2.294611758e+00 2.294611758e+00 2.00 1.507417702e+00 1.507417702e+00 2.02 7.878829600e-01 7.878829600e-01 2.04 1.302591006e-01 1.302591006e-01 2.06 -4.704492444e-01 -4.704492444e-01 2.08 -1.018545249e+00 -1.018545249e+00 2.10 -1.517750081e+00 -1.517750081e+00 2.12 -1.971330414e+00 -1.971330414e+00 2.14 -2.382215718e+00 -2.382215718e+00 2.16 -2.753089453e+00 -2.753089453e+00 2.18 -3.086451795e+00 -3.086451795e+00 2.20 -3.384662426e+00 -3.384662426e+00 2.22 -3.649975668e+00 -3.649975668e+00 2.24 -3.884576134e+00 -3.884576134e+00 2.26 -4.090615755e+00 -4.090615755e+00 2.28 -4.270247043e+00 -4.270247043e+00 2.30 -4.425643736e+00 -4.425643736e+00 2.32 -4.558861114e+00 -4.558861114e+00 2.34 -4.672164454e+00 -4.672164454e+00 2.36 -4.767930280e+00 -4.767930280e+00 2.38 -4.848352134e+00 -4.848352134e+00 2.40 -4.915378146e+00 -4.915378146e+00 2.42 -4.970665074e+00 -4.970665074e+00 2.44 -5.015282165e+00 -5.015282165e+00 2.46 -5.049837646e+00 -5.049837646e+00 2.48 -5.074936394e+00 -5.074936394e+00 2.50 -5.091186738e+00 -5.091186738e+00 2.52 -5.099192077e+00 -5.099192077e+00 2.54 -5.099552897e+00 -5.099552897e+00 2.56 -5.092874903e+00 -5.092874903e+00 2.58 -5.079776070e+00 -5.079776070e+00 2.60 -5.060949763e+00 -5.060949763e+00 2.62 -5.037000444e+00 -5.037000444e+00 2.64 -5.008437704e+00 -5.008437704e+00 2.66 -4.975731098e+00 -4.975731098e+00 2.68 -4.939294705e+00 -4.939294705e+00 2.70 -4.899525534e+00 -4.899525534e+00 2.72 -4.856947202e+00 -4.856947202e+00 2.74 -4.811622406e+00 -4.811622406e+00 2.76 -4.763550888e+00 -4.763550888e+00 2.78 -4.712703896e+00 -4.712703896e+00 2.80 -4.659011858e+00 -4.659011858e+00 2.82 -4.602436809e+00 -4.602436809e+00 2.84 -4.542971293e+00 -4.542971293e+00 2.86 -4.480639059e+00 -4.480639059e+00 2.88 -4.415514463e+00 -4.415514463e+00 2.90 -4.347701697e+00 -4.347701697e+00 2.92 -4.277325744e+00 -4.277325744e+00 2.94 -4.204534039e+00 -4.204534039e+00 2.96 -4.129497043e+00 -4.129497043e+00 2.98 -4.052407335e+00 -4.052407335e+00 3.00 -3.973476865e+00 -3.973476865e+00 3.02 -3.892931887e+00 -3.892931887e+00 3.04 -3.811005352e+00 -3.811005352e+00 3.06 -3.727927223e+00 -3.727927223e+00 3.08 -3.643914234e+00 -3.643914234e+00 3.10 -3.559161367e+00 -3.559161367e+00 3.12 -3.473837238e+00 -3.473837238e+00 3.14 -3.388084606e+00 -3.388084606e+00 3.16 -3.302025694e+00 -3.302025694e+00 3.18 -3.215770841e+00 -3.215770841e+00 3.20 -3.129428444e+00 -3.129428444e+00 3.22 -3.043114249e+00 -3.043114249e+00 3.24 -2.956958501e+00 -2.956958501e+00 3.26 -2.871110012e+00 -2.871110012e+00 3.28 -2.785736651e+00 -2.785736651e+00 3.30 -2.701022239e+00 -2.701022239e+00 3.32 -2.617160203e+00 -2.617160203e+00 3.34 -2.534344792e+00 -2.534344792e+00 3.36 -2.452760934e+00 -2.452760934e+00 3.38 -2.372574035e+00 -2.372574035e+00 3.40 -2.293920945e+00 -2.293920945e+00 3.42 -2.216903149e+00 -2.216903149e+00 3.44 -2.141582781e+00 -2.141582781e+00 3.46 -2.067981683e+00 -2.067981683e+00 3.48 -1.996083272e+00 -1.996083272e+00 3.50 -1.925836735e+00 -1.925836735e+00 3.52 -1.857162898e+00 -1.857162898e+00 3.54 -1.789961156e+00 -1.789961156e+00 3.56 -1.724116910e+00 -1.724116910e+00 3.58 -1.659509138e+00 -1.659509138e+00 3.60 -1.596017845e+00 -1.596017845e+00 3.62 -1.533531231e+00 -1.533531231e+00 3.64 -1.471952498e+00 -1.471952498e+00 3.66 -1.411206145e+00 -1.411206145e+00 3.68 -1.351243596e+00 -1.351243596e+00 3.70 -1.292047859e+00 -1.292047859e+00 3.72 -1.233636884e+00 -1.233636884e+00 3.74 -1.176065183e+00 -1.176065183e+00 3.76 -1.119423332e+00 -1.119423332e+00 3.78 -1.063835035e+00 -1.063835035e+00 3.80 -1.009451655e+00 -1.009451655e+00 3.82 -9.564443552e-01 -9.564443552e-01 3.84 -9.049943293e-01 -9.049943293e-01 3.86 -8.552818883e-01 -8.552818883e-01 3.88 -8.074753793e-01 -8.074753793e-01 3.90 -7.617209983e-01 -7.617209983e-01 3.92 -7.181344560e-01 -7.181344560e-01 3.94 -6.767952035e-01 -6.767952035e-01 3.96 -6.377435647e-01 -6.377435647e-01 3.98 -6.009807409e-01 -6.009807409e-01 4.00 -5.664713190e-01 -5.664713190e-01 4.02 -5.341476992e-01 -5.341476992e-01 4.04 -5.039157618e-01 -5.039157618e-01 4.06 -4.756611228e-01 -4.756611228e-01 4.08 -4.492554285e-01 -4.492554285e-01 4.10 -4.245622858e-01 -4.245622858e-01 4.12 -4.014425743e-01 -4.014425743e-01 4.14 -3.797590033e-01 -3.797590033e-01 4.16 -3.593798791e-01 -3.593798791e-01 4.18 -3.401820875e-01 -3.401820875e-01 4.20 -3.220533249e-01 -3.220533249e-01 4.22 -3.048936081e-01 -3.048936081e-01 4.24 -2.886160882e-01 -2.886160882e-01 4.26 -2.731471932e-01 -2.731471932e-01 4.28 -2.584261431e-01 -2.584261431e-01 4.30 -2.444039152e-01 -2.444039152e-01 4.32 -2.310417825e-01 -2.310417825e-01 4.34 -2.183095821e-01 -2.183095821e-01 4.36 -2.061838872e-01 -2.061838872e-01 4.38 -1.946462332e-01 -1.946462332e-01 4.40 -1.836815027e-01 -1.836815027e-01 4.42 -1.732765161e-01 -1.732765161e-01 4.44 -1.634188260e-01 -1.634188260e-01 4.46 -1.540956908e-01 -1.540956908e-01 4.48 -1.452932076e-01 -1.452932076e-01 4.50 -1.369956003e-01 -1.369956003e-01 4.52 -1.291846860e-01 -1.291846860e-01 4.54 -1.218395493e-01 -1.218395493e-01 4.56 -1.149364502e-01 -1.149364502e-01 4.58 -1.084489678e-01 -1.084489678e-01 4.60 -1.023483652e-01 -1.023483652e-01 4.62 -9.660412924e-02 -9.660412924e-02 4.64 -9.118461417e-02 -9.118461417e-02 4.66 -8.605746665e-02 -8.605746665e-02 4.68 -8.119114845e-02 -8.119114845e-02 4.70 -7.655524950e-02 -7.655524950e-02 4.72 -7.212096109e-02 -7.212096109e-02 4.74 -6.786174147e-02 -6.786174147e-02 4.76 -6.375390735e-02 -6.375390735e-02 4.78 -5.977715602e-02 -5.977715602e-02 4.80 -5.591501614e-02 -5.591501614e-02 4.82 -5.215521574e-02 -5.215521574e-02 4.84 -4.848994011e-02 -4.848994011e-02 4.86 -4.491594695e-02 -4.491594695e-02 4.88 -4.143449183e-02 -4.143449183e-02 4.90 -3.805102623e-02 -3.805102623e-02 4.92 -3.477464510e-02 -3.477464510e-02 4.94 -3.161727976e-02 -3.161727976e-02 4.96 -2.859267199e-02 -2.859267199e-02 4.98 -2.571520413e-02 -2.571520413e-02 5.00 -2.299867964e-02 -2.299867964e-02 5.02 -2.045517650e-02 -2.045517650e-02 5.04 -1.809409002e-02 -1.809409002e-02 5.06 -1.592145224e-02 -1.592145224e-02 5.08 -1.393936643e-02 -1.393936643e-02 5.10 -1.214625911e-02 -1.214625911e-02 5.12 -1.053747551e-02 -1.053747551e-02 5.14 -9.105263924e-03 -9.105263924e-03 5.16 -7.839420360e-03 -7.839420360e-03 5.18 -6.727991050e-03 -6.727991050e-03 5.20 -5.757955051e-03 -5.757955051e-03 5.22 -4.915835421e-03 -4.915835421e-03 5.24 -4.188208613e-03 -4.188208613e-03 5.26 -3.562100210e-03 -3.562100210e-03 5.28 -3.025269269e-03 -3.025269269e-03 5.30 -2.566392673e-03 -2.566392673e-03 5.32 -2.175165818e-03 -2.175165818e-03 5.34 -1.842337412e-03 -1.842337412e-03 5.36 -1.559695437e-03 -1.559695437e-03 5.38 -1.320019247e-03 -1.320019247e-03 5.40 -1.117010154e-03 -1.117010154e-03 5.42 -9.452101377e-04 -9.452101377e-04 5.44 -7.999158711e-04 -7.999158711e-04 5.46 -6.770930916e-04 -6.770930916e-04 5.48 -5.732946998e-04 -5.732946998e-04 5.50 -4.855846294e-04 -4.855846294e-04 5.52 -4.114685783e-04 -4.114685783e-04 5.54 -3.488320072e-04 -3.488320072e-04 5.56 -2.958853523e-04 -2.958853523e-04 5.58 -2.511161015e-04 -2.511161015e-04 5.60 -2.132472192e-04 -2.132472192e-04 5.62 -1.812013147e-04 -1.812013147e-04 5.64 -1.540699266e-04 -1.540699266e-04 5.66 -1.310873070e-04 -1.310873070e-04 5.68 -1.116081256e-04 -1.116081256e-04 5.70 -9.508856159e-05 -9.508856159e-05 5.72 -8.107030517e-05 -8.107030517e-05 5.74 -6.916704647e-05 -6.916704647e-05 5.76 -5.905308090e-05 -5.905308090e-05 5.78 -5.045371069e-05 -5.045371069e-05 5.80 -4.313716593e-05 -4.313716593e-05 5.82 -3.690780897e-05 -3.690780897e-05 5.84 -3.160042039e-05 -3.160042039e-05 5.86 -2.707539573e-05 -2.707539573e-05 5.88 -2.321470808e-05 -2.321470808e-05 5.90 -1.991851442e-05 -1.991851442e-05 5.92 -1.710230263e-05 -1.710230263e-05 5.94 -1.469449250e-05 -1.469449250e-05 5.96 -1.263441796e-05 -1.263441796e-05 5.98 -1.087062932e-05 -1.087062932e-05 6.00 -9.359464076e-06 -9.359464076e-06