# 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 = FeNiW2 # 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 2.823802321e+02 2.823802321e+02 1.30 2.588281178e+02 2.588281178e+02 1.32 2.372136042e+02 2.372136042e+02 1.34 2.173579919e+02 2.173579919e+02 1.36 1.990969650e+02 1.990969650e+02 1.38 1.822821997e+02 1.822821997e+02 1.40 1.667827604e+02 1.667827604e+02 1.42 1.524854478e+02 1.524854478e+02 1.44 1.392934935e+02 1.392934935e+02 1.46 1.271236819e+02 1.271236819e+02 1.48 1.159027919e+02 1.159027919e+02 1.50 1.055644801e+02 1.055644801e+02 1.52 9.604728526e+01 9.604728526e+01 1.54 8.729369497e+01 8.729369497e+01 1.56 7.924971717e+01 7.924971717e+01 1.58 7.186451563e+01 7.186451563e+01 1.60 6.509007296e+01 6.509007296e+01 1.62 5.888097497e+01 5.888097497e+01 1.64 5.319426359e+01 5.319426359e+01 1.66 4.798923105e+01 4.798923105e+01 1.68 4.322713965e+01 4.322713965e+01 1.70 3.887097136e+01 3.887097136e+01 1.72 3.488532127e+01 3.488532127e+01 1.74 3.123649167e+01 3.123649167e+01 1.76 2.789277215e+01 2.789277215e+01 1.78 2.482482544e+01 2.482482544e+01 1.80 2.200667118e+01 2.200667118e+01 1.82 1.941587093e+01 1.941587093e+01 1.84 1.703200154e+01 1.703200154e+01 1.86 1.483773322e+01 1.483773322e+01 1.88 1.281847916e+01 1.281847916e+01 1.90 1.096207637e+01 1.096207637e+01 1.92 9.258110834e+00 9.258110834e+00 1.94 7.697253823e+00 7.697253823e+00 1.96 6.270758601e+00 6.270758601e+00 1.98 4.970123547e+00 4.970123547e+00 2.00 3.786916636e+00 3.786916636e+00 2.02 2.712718856e+00 2.712718856e+00 2.04 1.739138264e+00 1.739138264e+00 2.06 8.578611233e-01 8.578611233e-01 2.08 6.072598059e-02 6.072598059e-02 2.10 -6.601798109e-01 -6.601798109e-01 2.12 -1.312399160e+00 -1.312399160e+00 2.14 -1.902967111e+00 -1.902967111e+00 2.16 -2.438277237e+00 -2.438277237e+00 2.18 -2.923983217e+00 -2.923983217e+00 2.20 -3.364961570e+00 -3.364961570e+00 2.22 -3.765344308e+00 -3.765344308e+00 2.24 -4.128609942e+00 -4.128609942e+00 2.26 -4.457708305e+00 -4.457708305e+00 2.28 -4.755192929e+00 -4.755192929e+00 2.30 -5.023340380e+00 -5.023340380e+00 2.32 -5.264242641e+00 -5.264242641e+00 2.34 -5.479864190e+00 -5.479864190e+00 2.36 -5.672039444e+00 -5.672039444e+00 2.38 -5.842320872e+00 -5.842320872e+00 2.40 -5.992482413e+00 -5.992482413e+00 2.42 -6.124193006e+00 -6.124193006e+00 2.44 -6.238922044e+00 -6.238922044e+00 2.46 -6.337964251e+00 -6.337964251e+00 2.48 -6.422468428e+00 -6.422468428e+00 2.50 -6.493461664e+00 -6.493461664e+00 2.52 -6.551626142e+00 -6.551626142e+00 2.54 -6.597070073e+00 -6.597070073e+00 2.56 -6.629915236e+00 -6.629915236e+00 2.58 -6.650354222e+00 -6.650354222e+00 2.60 -6.658623590e+00 -6.658623590e+00 2.62 -6.654986379e+00 -6.654986379e+00 2.64 -6.639722669e+00 -6.639722669e+00 2.66 -6.613126380e+00 -6.613126380e+00 2.68 -6.575506108e+00 -6.575506108e+00 2.70 -6.527187510e+00 -6.527187510e+00 2.72 -6.468514957e+00 -6.468514957e+00 2.74 -6.399851635e+00 -6.399851635e+00 2.76 -6.321574727e+00 -6.321574727e+00 2.78 -6.234074058e+00 -6.234074058e+00 2.80 -6.137752757e+00 -6.137752757e+00 2.82 -6.033030735e+00 -6.033030735e+00 2.84 -5.920354829e+00 -5.920354829e+00 2.86 -5.800215221e+00 -5.800215221e+00 2.88 -5.673157426e+00 -5.673157426e+00 2.90 -5.539697247e+00 -5.539697247e+00 2.92 -5.400398658e+00 -5.400398658e+00 2.94 -5.255979632e+00 -5.255979632e+00 2.96 -5.107291449e+00 -5.107291449e+00 2.98 -4.955298320e+00 -4.955298320e+00 3.00 -4.801039650e+00 -4.801039650e+00 3.02 -4.645580531e+00 -4.645580531e+00 3.04 -4.489957524e+00 -4.489957524e+00 3.06 -4.335126127e+00 -4.335126127e+00 3.08 -4.181914030e+00 -4.181914030e+00 3.10 -4.030906298e+00 -4.030906298e+00 3.12 -3.882421441e+00 -3.882421441e+00 3.14 -3.736621582e+00 -3.736621582e+00 3.16 -3.593531857e+00 -3.593531857e+00 3.18 -3.453063441e+00 -3.453063441e+00 3.20 -3.315042950e+00 -3.315042950e+00 3.22 -3.179243849e+00 -3.179243849e+00 3.24 -3.045416441e+00 -3.045416441e+00 3.26 -2.913314326e+00 -2.913314326e+00 3.28 -2.782716490e+00 -2.782716490e+00 3.30 -2.653445202e+00 -2.653445202e+00 3.32 -2.525380487e+00 -2.525380487e+00 3.34 -2.398472043e+00 -2.398472043e+00 3.36 -2.272749094e+00 -2.272749094e+00 3.38 -2.148328036e+00 -2.148328036e+00 3.40 -2.025416980e+00 -2.025416980e+00 3.42 -1.904315782e+00 -1.904315782e+00 3.44 -1.785410042e+00 -1.785410042e+00 3.46 -1.669157951e+00 -1.669157951e+00 3.48 -1.556069829e+00 -1.556069829e+00 3.50 -1.446681355e+00 -1.446681355e+00 3.52 -1.341522731e+00 -1.341522731e+00 3.54 -1.241086868e+00 -1.241086868e+00 3.56 -1.145800011e+00 -1.145800011e+00 3.58 -1.055997873e+00 -1.055997873e+00 3.60 -9.719095156e-01 -9.719095156e-01 3.62 -8.936500019e-01 -8.936500019e-01 3.64 -8.212216808e-01 -8.212216808e-01 3.66 -7.545229102e-01 -7.545229102e-01 3.68 -6.933623961e-01 -6.933623961e-01 3.70 -6.374770414e-01 -6.374770414e-01 3.72 -5.865512699e-01 -5.865512699e-01 3.74 -5.402360906e-01 -5.402360906e-01 3.76 -4.981665778e-01 -4.981665778e-01 3.78 -4.599768733e-01 -4.599768733e-01 3.80 -4.253121946e-01 -4.253121946e-01 3.82 -3.938376480e-01 -3.938376480e-01 3.84 -3.652438834e-01 -3.652438834e-01 3.86 -3.392498329e-01 -3.392498329e-01 3.88 -3.156029412e-01 -3.156029412e-01 3.90 -2.940774427e-01 -2.940774427e-01 3.92 -2.744713411e-01 -2.744713411e-01 3.94 -2.566027728e-01 -2.566027728e-01 3.96 -2.403063786e-01 -2.403063786e-01 3.98 -2.254301558e-01 -2.254301558e-01 4.00 -2.118330645e-01 -2.118330645e-01 4.02 -1.993834492e-01 -1.993834492e-01 4.04 -1.879581735e-01 -1.879581735e-01 4.06 -1.774422716e-01 -1.774422716e-01 4.08 -1.677288899e-01 -1.677288899e-01 4.10 -1.587192333e-01 -1.587192333e-01 4.12 -1.503226139e-01 -1.503226139e-01 4.14 -1.424567313e-01 -1.424567313e-01 4.16 -1.350469911e-01 -1.350469911e-01 4.18 -1.280259070e-01 -1.280259070e-01 4.20 -1.213339581e-01 -1.213339581e-01 4.22 -1.149184537e-01 -1.149184537e-01 4.24 -1.087331681e-01 -1.087331681e-01 4.26 -1.027382748e-01 -1.027382748e-01 4.28 -9.690035104e-02 -9.690035104e-02 4.30 -9.119246899e-02 -9.119246899e-02 4.32 -8.559436139e-02 -8.559436139e-02 4.34 -8.009261785e-02 -8.009261785e-02 4.36 -7.468084400e-02 -7.468084400e-02 4.38 -6.935969533e-02 -6.935969533e-02 4.40 -6.413668868e-02 -6.413668868e-02 4.42 -5.902570095e-02 -5.902570095e-02 4.44 -5.404609099e-02 -5.404609099e-02 4.46 -4.922142658e-02 -4.922142658e-02 4.48 -4.457785906e-02 -4.457785906e-02 4.50 -4.014225368e-02 -4.014225368e-02 4.52 -3.594023816e-02 -3.594023816e-02 4.54 -3.199436245e-02 -3.199436245e-02 4.56 -2.832255549e-02 -2.832255549e-02 4.58 -2.493703191e-02 -2.493703191e-02 4.60 -2.184372881e-02 -2.184372881e-02 4.62 -1.904227917e-02 -1.904227917e-02 4.64 -1.652623011e-02 -1.652623011e-02 4.66 -1.428411474e-02 -1.428411474e-02 4.68 -1.230096769e-02 -1.230096769e-02 4.70 -1.055878131e-02 -1.055878131e-02 4.72 -9.037634776e-03 -9.037634776e-03 4.74 -7.716716732e-03 -7.716716732e-03 4.76 -6.575176060e-03 -6.575176060e-03 4.78 -5.592782540e-03 -5.592782540e-03 4.80 -4.750402159e-03 -4.750402159e-03 4.82 -4.030307036e-03 -4.030307036e-03 4.84 -3.416347164e-03 -3.416347164e-03 4.86 -2.894014115e-03 -2.894014115e-03 4.88 -2.450424552e-03 -2.450424552e-03 4.90 -2.074248320e-03 -2.074248320e-03 4.92 -1.755601291e-03 -1.755601291e-03 4.94 -1.485918656e-03 -1.485918656e-03 4.96 -1.257820331e-03 -1.257820331e-03 4.98 -1.064976629e-03 -1.064976629e-03 5.00 -9.019796426e-04 -9.019796426e-04 5.02 -7.642236342e-04 -7.642236342e-04 5.04 -6.477961986e-04 -6.477961986e-04 5.06 -5.493808503e-04 -5.493808503e-04 5.08 -4.661709603e-04 -4.661709603e-04 5.10 -3.957944954e-04 -3.957944954e-04 5.12 -3.362487427e-04 -3.362487427e-04 5.14 -2.858440683e-04 -2.858440683e-04 5.16 -2.431557180e-04 -2.431557180e-04 5.18 -2.069826908e-04 -2.069826908e-04 5.20 -1.763127688e-04 -1.763127688e-04 5.22 -1.502928661e-04 -1.502928661e-04 5.24 -1.282039473e-04 -1.282039473e-04 5.26 -1.094398463e-04 -1.094398463e-04 5.28 -9.348940725e-05 -9.348940725e-05 5.30 -7.992144099e-05 -7.992144099e-05 5.32 -6.837206447e-05 -6.837206447e-05 5.34 -5.853405144e-05 -5.853405144e-05 5.36 -5.014787850e-05 -5.014787850e-05 5.38 -4.299419810e-05 -4.299419810e-05 5.40 -3.688751156e-05 -3.688751156e-05 5.42 -3.167085064e-05 -3.167085064e-05 5.44 -2.721130607e-05 -2.721130607e-05 5.46 -2.339626737e-05 -2.339626737e-05 5.48 -2.013025974e-05 -2.013025974e-05 5.50 -1.733228218e-05 -1.733228218e-05 5.52 -1.493356657e-05 -1.493356657e-05 5.54 -1.287569007e-05 -1.287569007e-05 5.56 -1.110898446e-05 -1.110898446e-05 5.58 -9.591194816e-06 -9.591194816e-06 5.60 -8.286347957e-06 -8.286347957e-06 5.62 -7.163797124e-06 -7.163797124e-06 5.64 -6.197415058e-06 -6.197415058e-06 5.66 -5.364911935e-06 -5.364911935e-06 5.68 -4.647258481e-06 -4.647258481e-06 5.70 -4.028197720e-06 -4.028197720e-06 5.72 -3.493831469e-06 -3.493831469e-06 5.74 -3.032269901e-06 -3.032269901e-06 5.76 -2.633334342e-06 -2.633334342e-06 5.78 -2.288305067e-06 -2.288305067e-06 5.80 -1.989707111e-06 -1.989707111e-06 5.82 -1.731128261e-06 -1.731128261e-06 5.84 -1.507064282e-06 -1.507064282e-06 5.86 -1.312787198e-06 -1.312787198e-06 5.88 -1.144233144e-06 -1.144233144e-06 5.90 -9.979067903e-07 -9.979067903e-07 5.92 -8.707998522e-07 -8.707998522e-07 5.94 -7.603215543e-07 -7.603215543e-07 5.96 -6.642392579e-07 -6.642392579e-07 5.98 -5.806277328e-07 -5.806277328e-07 6.00 -5.078257859e-07 -5.078257859e-07