# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-Co-Al--LAMMPS--ipr1 # composition = AlCo # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan 3.946744630e+02 3.946744630e+02 nan nan 0.80 nan nan nan nan 3.587699634e+02 3.587699634e+02 nan nan 0.82 nan nan nan nan 3.253209783e+02 3.253209783e+02 nan nan 0.84 nan nan nan nan 2.944192553e+02 2.944192553e+02 nan nan 0.86 nan nan nan nan 2.660608682e+02 2.660608682e+02 nan nan 0.88 nan nan nan nan 2.401761906e+02 2.401761906e+02 nan nan 0.90 3.463128459e+02 3.463128459e+02 nan nan 2.166521851e+02 2.166521851e+02 nan nan 0.92 3.130264454e+02 3.130264454e+02 nan nan 1.953488730e+02 1.953488730e+02 nan nan 0.94 2.829438586e+02 2.829438586e+02 nan nan 1.761113953e+02 1.761113953e+02 nan nan 0.96 2.558115325e+02 2.558115325e+02 nan nan 1.587787188e+02 1.587787188e+02 nan nan 0.98 2.313776251e+02 2.313776251e+02 4.480946453e+02 4.480946453e+02 1.431898172e+02 1.431898172e+02 nan nan 1.00 2.093982184e+02 2.093982184e+02 4.048885354e+02 4.048885354e+02 1.291879455e+02 1.291879455e+02 4.258093680e+02 4.258093680e+02 1.02 1.896413781e+02 1.896413781e+02 3.657469736e+02 3.657469736e+02 1.166234886e+02 1.166234886e+02 3.896075023e+02 3.896075023e+02 1.04 1.718896270e+02 1.718896270e+02 3.304159734e+02 3.304159734e+02 1.053557481e+02 1.053557481e+02 3.561367934e+02 3.561367934e+02 1.06 1.559412605e+02 1.559412605e+02 2.986120183e+02 2.986120183e+02 9.525390574e+01 9.525390574e+01 3.252261863e+02 3.252261863e+02 1.08 1.416108356e+02 1.416108356e+02 2.700404067e+02 2.700404067e+02 8.619746789e+01 8.619746789e+01 2.968354184e+02 2.968354184e+02 1.10 1.287290711e+02 1.287290711e+02 2.444079324e+02 2.444079324e+02 7.807637658e+01 7.807637658e+01 2.708719525e+02 2.708719525e+02 1.12 1.171423454e+02 1.171423454e+02 2.214313653e+02 2.214313653e+02 7.079058209e+01 7.079058209e+01 2.472092607e+02 2.472092607e+02 1.14 1.067119340e+02 1.067119340e+02 2.008428488e+02 2.008428488e+02 6.424960140e+01 6.424960140e+01 2.257006293e+02 2.257006293e+02 1.16 9.731307619e+01 9.731307619e+01 1.823930478e+02 1.823930478e+02 5.837198210e+01 5.837198210e+01 2.061892464e+02 2.061892464e+02 1.18 8.883394908e+01 8.883394908e+01 1.658526907e+02 1.658526907e+02 5.308469157e+01 5.308469157e+01 1.885154545e+02 1.885154545e+02 1.20 8.117464254e+01 8.117464254e+01 1.510129830e+02 1.510129830e+02 4.832246867e+01 4.832246867e+01 1.725218428e+02 1.725218428e+02 1.22 7.424610078e+01 7.424610078e+01 1.376852428e+02 1.376852428e+02 4.402716459e+01 4.402716459e+01 1.580567067e+02 1.580567067e+02 1.24 6.796908375e+01 6.796908375e+01 1.257000330e+02 1.257000330e+02 4.014709620e+01 4.014709620e+01 1.449762908e+02 1.449762908e+02 1.26 6.227320620e+01 6.227320620e+01 1.149059749e+02 1.149059749e+02 3.663642507e+01 3.663642507e+01 1.331461231e+02 1.331461231e+02 1.28 5.709603541e+01 5.709603541e+01 1.051683874e+02 1.051683874e+02 3.345457265e+01 3.345457265e+01 1.224416857e+02 1.224416857e+02 1.30 5.238225495e+01 5.238225495e+01 9.636785439e+01 9.636785439e+01 3.056566114e+01 3.056566114e+01 1.127486085e+02 1.127486085e+02 1.32 4.808289368e+01 4.808289368e+01 8.839878512e+01 8.839878512e+01 2.793800212e+01 2.793800212e+01 1.039625222e+02 1.039625222e+02 1.34 4.415462256e+01 4.415462256e+01 8.116801709e+01 8.116801709e+01 2.554363080e+01 2.554363080e+01 9.598867993e+01 9.598867993e+01 1.36 4.055911761e+01 4.055911761e+01 7.459349238e+01 7.459349238e+01 2.335786493e+01 2.335786493e+01 8.874142968e+01 8.874142968e+01 1.38 3.726248411e+01 3.726248411e+01 6.860302267e+01 6.860302267e+01 2.135888488e+01 2.135888488e+01 8.214359335e+01 8.214359335e+01 1.40 3.423474085e+01 3.423474085e+01 6.313315575e+01 6.313315575e+01 1.952744863e+01 1.952744863e+01 7.612580289e+01 7.612580289e+01 1.42 3.144935898e+01 3.144935898e+01 5.812814425e+01 5.812814425e+01 1.784658653e+01 1.784658653e+01 7.062582568e+01 7.062582568e+01 1.44 2.888285088e+01 2.888285088e+01 5.353901580e+01 5.353901580e+01 1.630132154e+01 1.630132154e+01 6.558790221e+01 6.558790221e+01 1.46 2.651440663e+01 2.651440663e+01 4.932272898e+01 4.932272898e+01 1.487841737e+01 1.487841737e+01 6.096210609e+01 6.096210609e+01 1.48 2.432557072e+01 2.432557072e+01 4.544143506e+01 4.544143506e+01 1.356616205e+01 1.356616205e+01 5.670376408e+01 5.670376408e+01 1.50 2.229995311e+01 2.229995311e+01 4.186184312e+01 4.186184312e+01 1.235418676e+01 1.235418676e+01 5.277295123e+01 5.277295123e+01 1.52 2.042296998e+01 2.042296998e+01 3.855464443e+01 3.855464443e+01 1.123329854e+01 1.123329854e+01 4.913402884e+01 4.913402884e+01 1.54 1.868163651e+01 1.868163651e+01 3.549400542e+01 3.549400542e+01 1.019533289e+01 1.019533289e+01 4.575523884e+01 4.575523884e+01 1.56 1.706437714e+01 1.706437714e+01 3.265712382e+01 3.265712382e+01 9.233025015e+00 9.233025015e+00 4.260835443e+01 4.260835443e+01 1.58 1.556085548e+01 1.556085548e+01 3.002384163e+01 3.002384163e+01 8.339897564e+00 8.339897564e+00 3.966838549e+01 3.966838549e+01 1.60 1.416182356e+01 1.416182356e+01 2.757630784e+01 2.757630784e+01 7.510162656e+00 7.510162656e+00 3.691332879e+01 3.691332879e+01 1.62 1.285897866e+01 1.285897866e+01 2.529868519e+01 2.529868519e+01 6.738636820e+00 6.738636820e+00 3.432395206e+01 3.432395206e+01 1.64 1.164484077e+01 1.164484077e+01 2.317689568e+01 2.317689568e+01 6.020667077e+00 6.020667077e+00 3.188359941e+01 3.188359941e+01 1.66 1.051265479e+01 1.051265479e+01 2.119839951e+01 2.119839951e+01 5.352066684e+00 5.352066684e+00 2.957800602e+01 2.957800602e+01 1.68 9.456306427e+00 9.456306427e+00 1.935200391e+01 1.935200391e+01 4.729059641e+00 4.729059641e+00 2.739511063e+01 2.739511063e+01 1.70 8.470248969e+00 8.470248969e+00 1.762769724e+01 1.762769724e+01 4.148232330e+00 4.148232330e+00 2.532485811e+01 2.532485811e+01 1.72 7.549439692e+00 7.549439692e+00 1.601650535e+01 1.601650535e+01 3.606491705e+00 3.606491705e+00 2.335898939e+01 2.335898939e+01 1.74 6.689284641e+00 6.689284641e+00 1.451036720e+01 1.451036720e+01 3.101029127e+00 3.101029127e+00 2.149081706e+01 2.149081706e+01 1.76 5.885590512e+00 5.885590512e+00 1.310202579e+01 1.310202579e+01 2.629288421e+00 2.629288421e+00 1.971498901e+01 1.971498901e+01 1.78 5.134522789e+00 5.134522789e+00 1.178490497e+01 1.178490497e+01 2.188908676e+00 2.188908676e+00 1.802724720e+01 1.802724720e+01 1.80 4.432569269e+00 4.432569269e+00 1.055297302e+01 1.055297302e+01 1.777691831e+00 1.777691831e+00 1.642419014e+01 1.642419014e+01 1.82 3.776508132e+00 3.776508132e+00 9.400673239e+00 9.400673239e+00 1.393634783e+00 1.393634783e+00 1.490304879e+01 1.490304879e+01 1.84 3.163380021e+00 3.163380021e+00 8.322882030e+00 8.322882030e+00 1.034913599e+00 1.034913599e+00 1.346148480e+01 1.346148480e+01 1.86 2.590463547e+00 2.590463547e+00 7.314872151e+00 7.314872151e+00 6.998651938e-01 6.998651938e-01 1.209741809e+01 1.209741809e+01 1.88 2.055253664e+00 2.055253664e+00 6.372279948e+00 6.372279948e+00 3.869712659e-01 3.869712659e-01 1.080888783e+01 1.080888783e+01 1.90 1.555442626e+00 1.555442626e+00 5.491076052e+00 5.491076052e+00 9.484422045e-02 9.484422045e-02 9.593948331e+00 9.593948331e+00 1.92 1.088903065e+00 1.088903065e+00 4.667539017e+00 4.667539017e+00 -1.777852364e-01 -1.777852364e-01 8.450598320e+00 8.450598320e+00 1.94 6.536729209e-01 6.536729209e-01 3.898231479e+00 3.898231479e+00 -4.320790616e-01 -4.320790616e-01 7.376740118e+00 7.376740118e+00 1.96 2.479419902e-01 2.479419902e-01 3.179976886e+00 3.179976886e+00 -6.691015738e-01 -6.691015738e-01 6.370162659e+00 6.370162659e+00 1.98 -1.299611908e-01 -1.299611908e-01 2.509831763e+00 2.509831763e+00 -8.898287737e-01 -8.898287737e-01 5.428522889e+00 5.428522889e+00 2.00 -4.815947656e-01 -4.815947656e-01 1.885046069e+00 1.885046069e+00 -1.095165728e+00 -1.095165728e+00 4.549322180e+00 4.549322180e+00 2.02 -8.084293279e-01 -8.084293279e-01 1.303026345e+00 1.303026345e+00 -1.285964073e+00 -1.285964073e+00 3.729919451e+00 3.729919451e+00 2.04 -1.111855230e+00 -1.111855230e+00 7.613383888e-01 7.613383888e-01 -1.463019755e+00 -1.463019755e+00 2.967586124e+00 2.967586124e+00 2.06 -1.393187228e+00 -1.393187228e+00 2.578025016e-01 2.578025016e-01 -1.627024471e+00 -1.627024471e+00 2.259651267e+00 2.259651267e+00 2.08 -1.653668773e+00 -1.653668773e+00 -2.096018082e-01 -2.096018082e-01 -1.778612367e+00 -1.778612367e+00 1.603454312e+00 1.603454312e+00 2.10 -1.894476089e+00 -1.894476089e+00 -6.428105305e-01 -6.428105305e-01 -1.918396443e+00 -1.918396443e+00 9.963132457e-01 9.963132457e-01 2.12 -2.116721964e+00 -2.116721964e+00 -1.043677452e+00 -1.043677452e+00 -2.046968753e+00 -2.046968753e+00 4.355580497e-01 4.355580497e-01 2.14 -2.321459321e+00 -2.321459321e+00 -1.413976053e+00 -1.413976053e+00 -2.164897914e+00 -2.164897914e+00 -8.145054023e-02 -8.145054023e-02 2.16 -2.509684561e+00 -2.509684561e+00 -1.755401543e+00 -1.755401543e+00 -2.272711962e+00 -2.272711962e+00 -5.572921185e-01 -5.572921185e-01 2.18 -2.682340708e+00 -2.682340708e+00 -2.069572814e+00 -2.069572814e+00 -2.370992897e+00 -2.370992897e+00 -9.944611736e-01 -9.944611736e-01 2.20 -2.840320365e+00 -2.840320365e+00 -2.358033302e+00 -2.358033302e+00 -2.460228089e+00 -2.460228089e+00 -1.395357358e+00 -1.395357358e+00 2.22 -2.984468668e+00 -2.984468668e+00 -2.622254442e+00 -2.622254442e+00 -2.540901125e+00 -2.540901125e+00 -1.762277778e+00 -1.762277778e+00 2.24 -3.115585585e+00 -3.115585585e+00 -2.863638879e+00 -2.863638879e+00 -2.613481201e+00 -2.613481201e+00 -2.097411535e+00 -2.097411535e+00 2.26 -3.234427773e+00 -3.234427773e+00 -3.083522764e+00 -3.083522764e+00 -2.678418084e+00 -2.678418084e+00 -2.402837002e+00 -2.402837002e+00 2.28 -3.341712718e+00 -3.341712718e+00 -3.283178044e+00 -3.283178044e+00 -2.736142516e+00 -2.736142516e+00 -2.680521296e+00 -2.680521296e+00 2.30 -3.438119379e+00 -3.438119379e+00 -3.463814761e+00 -3.463814761e+00 -2.787066654e+00 -2.787066654e+00 -2.932321501e+00 -2.932321501e+00 2.32 -3.524290670e+00 -3.524290670e+00 -3.626583346e+00 -3.626583346e+00 -2.831584522e+00 -2.831584522e+00 -3.159986881e+00 -3.159986881e+00 2.34 -3.600835388e+00 -3.600835388e+00 -3.772576888e+00 -3.772576888e+00 -2.870072484e+00 -2.870072484e+00 -3.365162591e+00 -3.365162591e+00 2.36 -3.668330037e+00 -3.668330037e+00 -3.902833381e+00 -3.902833381e+00 -2.902889736e+00 -2.902889736e+00 -3.549393618e+00 -3.549393618e+00 2.38 -3.727320543e+00 -3.727320543e+00 -4.018337936e+00 -4.018337936e+00 -2.930378798e+00 -2.930378798e+00 -3.714129197e+00 -3.714129197e+00 2.40 -3.778323876e+00 -3.778323876e+00 -4.120024946e+00 -4.120024946e+00 -2.952866018e+00 -2.952866018e+00 -3.860727569e+00 -3.860727569e+00 2.42 -3.821829577e+00 -3.821829577e+00 -4.208780218e+00 -4.208780218e+00 -2.970662080e+00 -2.970662080e+00 -3.990460768e+00 -3.990460768e+00 2.44 -3.858301205e+00 -3.858301205e+00 -4.285443045e+00 -4.285443045e+00 -2.984062512e+00 -2.984062512e+00 -4.104518838e+00 -4.104518838e+00 2.46 -3.888177693e+00 -3.888177693e+00 -4.350808225e+00 -4.350808225e+00 -2.993348193e+00 -2.993348193e+00 -4.204014792e+00 -4.204014792e+00 2.48 -3.911874647e+00 -3.911874647e+00 -4.405628022e+00 -4.405628022e+00 -2.998785858e+00 -2.998785858e+00 -4.289989854e+00 -4.289989854e+00 2.50 -3.929785552e+00 -3.929785552e+00 -4.450628247e+00 -4.450628247e+00 -3.000628596e+00 -3.000628596e+00 -4.363417888e+00 -4.363417888e+00 2.52 -3.942282932e+00 -3.942282932e+00 -4.486548301e+00 -4.486548301e+00 -2.999116349e+00 -2.999116349e+00 -4.425209603e+00 -4.425209603e+00 2.54 -3.949719429e+00 -3.949719429e+00 -4.514092277e+00 -4.514092277e+00 -2.994476396e+00 -2.994476396e+00 -4.476216551e+00 -4.476216551e+00 2.56 -3.952428844e+00 -3.952428844e+00 -4.533916297e+00 -4.533916297e+00 -2.986923840e+00 -2.986923840e+00 -4.517234912e+00 -4.517234912e+00 2.58 -3.950731212e+00 -3.950731212e+00 -4.546654515e+00 -4.546654515e+00 -2.976996150e+00 -2.976996150e+00 -4.549014478e+00 -4.549014478e+00 2.60 -3.944961212e+00 -3.944961212e+00 -4.553076650e+00 -4.553076650e+00 -2.962978446e+00 -2.962978446e+00 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