# 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 = NiTiZr2 # 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 2.774701905e+02 2.774701905e+02 1.30 2.572888074e+02 2.572888074e+02 1.32 2.385900003e+02 2.385900003e+02 1.34 2.212544349e+02 2.212544349e+02 1.36 2.051744732e+02 2.051744732e+02 1.38 1.902538927e+02 1.902538927e+02 1.40 1.764062374e+02 1.764062374e+02 1.42 1.635521895e+02 1.635521895e+02 1.44 1.516175304e+02 1.516175304e+02 1.46 1.405326822e+02 1.405326822e+02 1.48 1.302331621e+02 1.302331621e+02 1.50 1.206596576e+02 1.206596576e+02 1.52 1.117575181e+02 1.117575181e+02 1.54 1.034761982e+02 1.034761982e+02 1.56 9.576911940e+01 9.576911940e+01 1.58 8.859384741e+01 8.859384741e+01 1.60 8.191203005e+01 8.191203005e+01 1.62 7.568891071e+01 7.568891071e+01 1.64 6.989265266e+01 6.989265266e+01 1.66 6.449371101e+01 6.449371101e+01 1.68 5.946438935e+01 5.946438935e+01 1.70 5.477875665e+01 5.477875665e+01 1.72 5.041269188e+01 5.041269188e+01 1.74 4.634396121e+01 4.634396121e+01 1.76 4.255215795e+01 4.255215795e+01 1.78 3.901856705e+01 3.901856705e+01 1.80 3.572593890e+01 3.572593890e+01 1.82 3.265828734e+01 3.265828734e+01 1.84 2.980059126e+01 2.980059126e+01 1.86 2.713868702e+01 2.713868702e+01 1.88 2.465924830e+01 2.465924830e+01 1.90 2.234984888e+01 2.234984888e+01 1.92 2.019895485e+01 2.019895485e+01 1.94 1.819616653e+01 1.819616653e+01 1.96 1.633232008e+01 1.633232008e+01 1.98 1.459817883e+01 1.459817883e+01 2.00 1.298521002e+01 1.298521002e+01 2.02 1.148541626e+01 1.148541626e+01 2.04 1.009137351e+01 1.009137351e+01 2.06 8.796136120e+00 8.796136120e+00 2.08 7.593152276e+00 7.593152276e+00 2.10 6.476226426e+00 6.476226426e+00 2.12 5.439532663e+00 5.439532663e+00 2.14 4.477641579e+00 4.477641579e+00 2.16 3.585560657e+00 3.585560657e+00 2.18 2.758721560e+00 2.758721560e+00 2.20 1.992931731e+00 1.992931731e+00 2.22 1.284274380e+00 1.284274380e+00 2.24 6.290342799e-01 6.290342799e-01 2.26 2.366997123e-02 2.366997123e-02 2.28 -5.351855030e-01 -5.351855030e-01 2.30 -1.050666272e+00 -1.050666272e+00 2.32 -1.525693559e+00 -1.525693559e+00 2.34 -1.962939412e+00 -1.962939412e+00 2.36 -2.364876687e+00 -2.364876687e+00 2.38 -2.733800354e+00 -2.733800354e+00 2.40 -3.071856682e+00 -3.071856682e+00 2.42 -3.381079328e+00 -3.381079328e+00 2.44 -3.663408946e+00 -3.663408946e+00 2.46 -3.920718690e+00 -3.920718690e+00 2.48 -4.154816487e+00 -4.154816487e+00 2.50 -4.367432984e+00 -4.367432984e+00 2.52 -4.560198467e+00 -4.560198467e+00 2.54 -4.734617045e+00 -4.734617045e+00 2.56 -4.892046730e+00 -4.892046730e+00 2.58 -5.033692494e+00 -5.033692494e+00 2.60 -5.160615690e+00 -5.160615690e+00 2.62 -5.273754077e+00 -5.273754077e+00 2.64 -5.373968037e+00 -5.373968037e+00 2.66 -5.462046357e+00 -5.462046357e+00 2.68 -5.538748677e+00 -5.538748677e+00 2.70 -5.604816254e+00 -5.604816254e+00 2.72 -5.660978497e+00 -5.660978497e+00 2.74 -5.707964220e+00 -5.707964220e+00 2.76 -5.746578176e+00 -5.746578176e+00 2.78 -5.777395900e+00 -5.777395900e+00 2.80 -5.800929426e+00 -5.800929426e+00 2.82 -5.817652550e+00 -5.817652550e+00 2.84 -5.828007423e+00 -5.828007423e+00 2.86 -5.832401270e+00 -5.832401270e+00 2.88 -5.831211196e+00 -5.831211196e+00 2.90 -5.824790774e+00 -5.824790774e+00 2.92 -5.813424698e+00 -5.813424698e+00 2.94 -5.797179048e+00 -5.797179048e+00 2.96 -5.776107940e+00 -5.776107940e+00 2.98 -5.750318293e+00 -5.750318293e+00 3.00 -5.719995460e+00 -5.719995460e+00 3.02 -5.685303982e+00 -5.685303982e+00 3.04 -5.646422057e+00 -5.646422057e+00 3.06 -5.603570672e+00 -5.603570672e+00 3.08 -5.556979239e+00 -5.556979239e+00 3.10 -5.506896451e+00 -5.506896451e+00 3.12 -5.453576760e+00 -5.453576760e+00 3.14 -5.397290821e+00 -5.397290821e+00 3.16 -5.338302577e+00 -5.338302577e+00 3.18 -5.276849291e+00 -5.276849291e+00 3.20 -5.213059132e+00 -5.213059132e+00 3.22 -5.147053360e+00 -5.147053360e+00 3.24 -5.078979425e+00 -5.078979425e+00 3.26 -5.009007132e+00 -5.009007132e+00 3.28 -4.937325330e+00 -4.937325330e+00 3.30 -4.864137929e+00 -4.864137929e+00 3.32 -4.789657990e+00 -4.789657990e+00 3.34 -4.714099422e+00 -4.714099422e+00 3.36 -4.637667190e+00 -4.637667190e+00 3.38 -4.560547933e+00 -4.560547933e+00 3.40 -4.482901507e+00 -4.482901507e+00 3.42 -4.404864835e+00 -4.404864835e+00 3.44 -4.326542189e+00 -4.326542189e+00 3.46 -4.248017101e+00 -4.248017101e+00 3.48 -4.169356262e+00 -4.169356262e+00 3.50 -4.090615744e+00 -4.090615744e+00 3.52 -4.011846395e+00 -4.011846395e+00 3.54 -3.933097728e+00 -3.933097728e+00 3.56 -3.854420079e+00 -3.854420079e+00 3.58 -3.775865158e+00 -3.775865158e+00 3.60 -3.697485395e+00 -3.697485395e+00 3.62 -3.619332674e+00 -3.619332674e+00 3.64 -3.541457070e+00 -3.541457070e+00 3.66 -3.463906109e+00 -3.463906109e+00 3.68 -3.386724872e+00 -3.386724872e+00 3.70 -3.309957063e+00 -3.309957063e+00 3.72 -3.233646973e+00 -3.233646973e+00 3.74 -3.157842157e+00 -3.157842157e+00 3.76 -3.082596526e+00 -3.082596526e+00 3.78 -3.007973473e+00 -3.007973473e+00 3.80 -2.934048494e+00 -2.934048494e+00 3.82 -2.860910710e+00 -2.860910710e+00 3.84 -2.788662647e+00 -2.788662647e+00 3.86 -2.717417818e+00 -2.717417818e+00 3.88 -2.647295981e+00 -2.647295981e+00 3.90 -2.578416456e+00 -2.578416456e+00 3.92 -2.510887045e+00 -2.510887045e+00 3.94 -2.444810578e+00 -2.444810578e+00 3.96 -2.380256620e+00 -2.380256620e+00 3.98 -2.317273505e+00 -2.317273505e+00 4.00 -2.255883281e+00 -2.255883281e+00 4.02 -2.196083405e+00 -2.196083405e+00 4.04 -2.137850336e+00 -2.137850336e+00 4.06 -2.081144186e+00 -2.081144186e+00 4.08 -2.025913593e+00 -2.025913593e+00 4.10 -1.972092659e+00 -1.972092659e+00 4.12 -1.919636408e+00 -1.919636408e+00 4.14 -1.868473682e+00 -1.868473682e+00 4.16 -1.818544340e+00 -1.818544340e+00 4.18 -1.769791225e+00 -1.769791225e+00 4.20 -1.722160937e+00 -1.722160937e+00 4.22 -1.675604232e+00 -1.675604232e+00 4.24 -1.630076213e+00 -1.630076213e+00 4.26 -1.585536438e+00 -1.585536438e+00 4.28 -1.541949031e+00 -1.541949031e+00 4.30 -1.499282836e+00 -1.499282836e+00 4.32 -1.457511650e+00 -1.457511650e+00 4.34 -1.416614489e+00 -1.416614489e+00 4.36 -1.376575841e+00 -1.376575841e+00 4.38 -1.337385834e+00 -1.337385834e+00 4.40 -1.299040217e+00 -1.299040217e+00 4.42 -1.261540074e+00 -1.261540074e+00 4.44 -1.224891203e+00 -1.224891203e+00 4.46 -1.189103123e+00 -1.189103123e+00 4.48 -1.154187758e+00 -1.154187758e+00 4.50 -1.120157854e+00 -1.120157854e+00 4.52 -1.087025295e+00 -1.087025295e+00 4.54 -1.054799466e+00 -1.054799466e+00 4.56 -1.023485841e+00 -1.023485841e+00 4.58 -9.930849309e-01 -9.930849309e-01 4.60 -9.635916828e-01 -9.635916828e-01 4.62 -9.349953406e-01 -9.349953406e-01 4.64 -9.072797349e-01 -9.072797349e-01 4.66 -8.804239078e-01 -8.804239078e-01 4.68 -8.544029656e-01 -8.544029656e-01 4.70 -8.291890408e-01 -8.291890408e-01 4.72 -8.047522665e-01 -8.047522665e-01 4.74 -7.810616877e-01 -7.810616877e-01 4.76 -7.580860606e-01 -7.580860606e-01 4.78 -7.357945188e-01 -7.357945188e-01 4.80 -7.141509821e-01 -7.141509821e-01 4.82 -6.931400732e-01 -6.931400732e-01 4.84 -6.727274065e-01 -6.727274065e-01 4.86 -6.528877601e-01 -6.528877601e-01 4.88 -6.335978262e-01 -6.335978262e-01 4.90 -6.148362661e-01 -6.148362661e-01 4.92 -5.965837030e-01 -5.965837030e-01 4.94 -5.788226532e-01 -5.788226532e-01 4.96 -5.615373928e-01 -5.615373928e-01 4.98 -5.447137590e-01 -5.447137590e-01 5.00 -5.283388858e-01 -5.283388858e-01 5.02 -5.124008846e-01 -5.124008846e-01 5.04 -4.968884857e-01 -4.968884857e-01 5.06 -4.817906660e-01 -4.817906660e-01 5.08 -4.670962952e-01 -4.670962952e-01 5.10 -4.527938328e-01 -4.527938328e-01 5.12 -4.388711060e-01 -4.388711060e-01 5.14 -4.253151891e-01 -4.253151891e-01 5.16 -4.121123958e-01 -4.121123958e-01 5.18 -3.992483817e-01 -3.992483817e-01 5.20 -3.867083462e-01 -3.867083462e-01 5.22 -3.744773161e-01 -3.744773161e-01 5.24 -3.625404877e-01 -3.625404877e-01 5.26 -3.508836055e-01 -3.508836055e-01 5.28 -3.394933562e-01 -3.394933562e-01 5.30 -3.283577538e-01 -3.283577538e-01 5.32 -3.174664982e-01 -3.174664982e-01 5.34 -3.068112816e-01 -3.068112816e-01 5.36 -2.963860226e-01 -2.963860226e-01 5.38 -2.861870025e-01 -2.861870025e-01 5.40 -2.762128819e-01 -2.762128819e-01 5.42 -2.664645810e-01 -2.664645810e-01 5.44 -2.569450138e-01 -2.569450138e-01 5.46 -2.476586821e-01 -2.476586821e-01 5.48 -2.386111490e-01 -2.386111490e-01 5.50 -2.298084295e-01 -2.298084295e-01 5.52 -2.212563483e-01 -2.212563483e-01 5.54 -2.129599248e-01 -2.129599248e-01 5.56 -2.049228418e-01 -2.049228418e-01 5.58 -1.971470491e-01 -1.971470491e-01 5.60 -1.896325329e-01 -1.896325329e-01 5.62 -1.823772635e-01 -1.823772635e-01 5.64 -1.753773094e-01 -1.753773094e-01 5.66 -1.686270878e-01 -1.686270878e-01 5.68 -1.621197085e-01 -1.621197085e-01 5.70 -1.558473595e-01 -1.558473595e-01 5.72 -1.498016873e-01 -1.498016873e-01 5.74 -1.439741303e-01 -1.439741303e-01 5.76 -1.383561731e-01 -1.383561731e-01 5.78 -1.329395066e-01 -1.329395066e-01 5.80 -1.277160899e-01 -1.277160899e-01 5.82 -1.226781067e-01 -1.226781067e-01 5.84 -1.178176404e-01 -1.178176404e-01 5.86 -1.131271189e-01 -1.131271189e-01 5.88 -1.085989274e-01 -1.085989274e-01 5.90 -1.042251424e-01 -1.042251424e-01 5.92 -9.999744607e-02 -9.999744607e-02 5.94 -9.590709120e-02 -9.590709120e-02 5.96 -9.194492481e-02 -9.194492481e-02 5.98 -8.810147067e-02 -8.810147067e-02 6.00 -8.436706520e-02 -8.436706520e-02