# 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 = NiTaTi2 # 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 2.469984263e+02 2.469984263e+02 1.30 2.283234556e+02 2.283234556e+02 1.32 2.110622341e+02 2.110622341e+02 1.34 1.950986763e+02 1.950986763e+02 1.36 1.803285311e+02 1.803285311e+02 1.38 1.666587899e+02 1.666587899e+02 1.40 1.540056996e+02 1.540056996e+02 1.42 1.422924553e+02 1.422924553e+02 1.44 1.314475329e+02 1.314475329e+02 1.46 1.214036885e+02 1.214036885e+02 1.48 1.120973007e+02 1.120973007e+02 1.50 1.034681824e+02 1.034681824e+02 1.52 9.546007803e+01 9.546007803e+01 1.54 8.802156553e+01 8.802156553e+01 1.56 8.110672453e+01 8.110672453e+01 1.58 7.467510045e+01 7.467510045e+01 1.60 6.869104837e+01 6.869104837e+01 1.62 6.312290487e+01 6.312290487e+01 1.64 5.794225715e+01 5.794225715e+01 1.66 5.312326374e+01 5.312326374e+01 1.68 4.864201880e+01 4.864201880e+01 1.70 4.447612100e+01 4.447612100e+01 1.72 4.060453324e+01 4.060453324e+01 1.74 3.700759584e+01 3.700759584e+01 1.76 3.366698085e+01 3.366698085e+01 1.78 3.056553694e+01 3.056553694e+01 1.80 2.768713843e+01 2.768713843e+01 1.82 2.501663604e+01 2.501663604e+01 1.84 2.254255601e+01 2.254255601e+01 1.86 2.025348156e+01 2.025348156e+01 1.88 1.813678562e+01 1.813678562e+01 1.90 1.618029961e+01 1.618029961e+01 1.92 1.437229597e+01 1.437229597e+01 1.94 1.270156168e+01 1.270156168e+01 1.96 1.115746633e+01 1.115746633e+01 1.98 9.730077903e+00 9.730077903e+00 2.00 8.410256495e+00 8.410256495e+00 2.02 7.189683236e+00 7.189683236e+00 2.04 6.060833537e+00 6.060833537e+00 2.06 5.016932283e+00 5.016932283e+00 2.08 4.051915089e+00 4.051915089e+00 2.10 3.160389164e+00 3.160389164e+00 2.12 2.337571265e+00 2.337571265e+00 2.14 1.579192329e+00 1.579192329e+00 2.16 8.813811942e-01 8.813811942e-01 2.18 2.405486457e-01 2.405486457e-01 2.20 -3.467124575e-01 -3.467124575e-01 2.22 -8.837056317e-01 -8.837056317e-01 2.24 -1.373684642e+00 -1.373684642e+00 2.26 -1.819880721e+00 -1.819880721e+00 2.28 -2.225503887e+00 -2.225503887e+00 2.30 -2.593722607e+00 -2.593722607e+00 2.32 -2.927629951e+00 -2.927629951e+00 2.34 -3.230197674e+00 -3.230197674e+00 2.36 -3.504223600e+00 -3.504223600e+00 2.38 -3.752279486e+00 -3.752279486e+00 2.40 -3.976672973e+00 -3.976672973e+00 2.42 -4.179433943e+00 -4.179433943e+00 2.44 -4.362326588e+00 -4.362326588e+00 2.46 -4.526881197e+00 -4.526881197e+00 2.48 -4.674434989e+00 -4.674434989e+00 2.50 -4.806172524e+00 -4.806172524e+00 2.52 -4.923096461e+00 -4.923096461e+00 2.54 -5.026151910e+00 -5.026151910e+00 2.56 -5.116338028e+00 -5.116338028e+00 2.58 -5.194561490e+00 -5.194561490e+00 2.60 -5.261650520e+00 -5.261650520e+00 2.62 -5.318369140e+00 -5.318369140e+00 2.64 -5.365430678e+00 -5.365430678e+00 2.66 -5.403509128e+00 -5.403509128e+00 2.68 -5.433224662e+00 -5.433224662e+00 2.70 -5.455032055e+00 -5.455032055e+00 2.72 -5.469349287e+00 -5.469349287e+00 2.74 -5.476616019e+00 -5.476616019e+00 2.76 -5.477298698e+00 -5.477298698e+00 2.78 -5.471924993e+00 -5.471924993e+00 2.80 -5.460845234e+00 -5.460845234e+00 2.82 -5.444376431e+00 -5.444376431e+00 2.84 -5.422827870e+00 -5.422827870e+00 2.86 -5.396499143e+00 -5.396499143e+00 2.88 -5.365681596e+00 -5.365681596e+00 2.90 -5.330661292e+00 -5.330661292e+00 2.92 -5.291722086e+00 -5.291722086e+00 2.94 -5.249111321e+00 -5.249111321e+00 2.96 -5.202868002e+00 -5.202868002e+00 2.98 -5.152965174e+00 -5.152965174e+00 3.00 -5.099442827e+00 -5.099442827e+00 3.02 -5.042402766e+00 -5.042402766e+00 3.04 -4.981995215e+00 -4.981995215e+00 3.06 -4.918402456e+00 -4.918402456e+00 3.08 -4.851820288e+00 -4.851820288e+00 3.10 -4.782441928e+00 -4.782441928e+00 3.12 -4.710446851e+00 -4.710446851e+00 3.14 -4.635997324e+00 -4.635997324e+00 3.16 -4.559240868e+00 -4.559240868e+00 3.18 -4.480318109e+00 -4.480318109e+00 3.20 -4.399371822e+00 -4.399371822e+00 3.22 -4.316555328e+00 -4.316555328e+00 3.24 -4.232038626e+00 -4.232038626e+00 3.26 -4.146011494e+00 -4.146011494e+00 3.28 -4.058683389e+00 -4.058683389e+00 3.30 -3.970280292e+00 -3.970280292e+00 3.32 -3.881038914e+00 -3.881038914e+00 3.34 -3.791198921e+00 -3.791198921e+00 3.36 -3.700994098e+00 -3.700994098e+00 3.38 -3.610643524e+00 -3.610643524e+00 3.40 -3.520343886e+00 -3.520343886e+00 3.42 -3.430264020e+00 -3.430264020e+00 3.44 -3.340542002e+00 -3.340542002e+00 3.46 -3.251285432e+00 -3.251285432e+00 3.48 -3.162574226e+00 -3.162574226e+00 3.50 -3.074465274e+00 -3.074465274e+00 3.52 -2.986997897e+00 -2.986997897e+00 3.54 -2.900199016e+00 -2.900199016e+00 3.56 -2.814087243e+00 -2.814087243e+00 3.58 -2.728675649e+00 -2.728675649e+00 3.60 -2.643973547e+00 -2.643973547e+00 3.62 -2.559988103e+00 -2.559988103e+00 3.64 -2.476726664e+00 -2.476726664e+00 3.66 -2.394200390e+00 -2.394200390e+00 3.68 -2.312429247e+00 -2.312429247e+00 3.70 -2.231447856e+00 -2.231447856e+00 3.72 -2.151311312e+00 -2.151311312e+00 3.74 -2.072100001e+00 -2.072100001e+00 3.76 -1.993922553e+00 -1.993922553e+00 3.78 -1.916916320e+00 -1.916916320e+00 3.80 -1.841245076e+00 -1.841245076e+00 3.82 -1.767093956e+00 -1.767093956e+00 3.84 -1.694661953e+00 -1.694661953e+00 3.86 -1.624152552e+00 -1.624152552e+00 3.88 -1.555763336e+00 -1.555763336e+00 3.90 -1.489675525e+00 -1.489675525e+00 3.92 -1.426044405e+00 -1.426044405e+00 3.94 -1.364991862e+00 -1.364991862e+00 3.96 -1.306600910e+00 -1.306600910e+00 3.98 -1.250913609e+00 -1.250913609e+00 4.00 -1.197931509e+00 -1.197931509e+00 4.02 -1.147618578e+00 -1.147618578e+00 4.04 -1.099905972e+00 -1.099905972e+00 4.06 -1.054697918e+00 -1.054697918e+00 4.08 -1.011878062e+00 -1.011878062e+00 4.10 -9.713155364e-01 -9.713155364e-01 4.12 -9.328712453e-01 -9.328712453e-01 4.14 -8.964018253e-01 -8.964018253e-01 4.16 -8.617643365e-01 -8.617643365e-01 4.18 -8.288192420e-01 -8.288192420e-01 4.20 -7.974327784e-01 -7.974327784e-01 4.22 -7.674786639e-01 -7.674786639e-01 4.24 -7.388392821e-01 -7.388392821e-01 4.26 -7.114064749e-01 -7.114064749e-01 4.28 -6.850820557e-01 -6.850820557e-01 4.30 -6.597781316e-01 -6.597781316e-01 4.32 -6.354172884e-01 -6.354172884e-01 4.34 -6.119326575e-01 -6.119326575e-01 4.36 -5.892678547e-01 -5.892678547e-01 4.38 -5.673767508e-01 -5.673767508e-01 4.40 -5.462230192e-01 -5.462230192e-01 4.42 -5.257794023e-01 -5.257794023e-01 4.44 -5.060266545e-01 -5.060266545e-01 4.46 -4.869521545e-01 -4.869521545e-01 4.48 -4.685482272e-01 -4.685482272e-01 4.50 -4.508102672e-01 -4.508102672e-01 4.52 -4.337348047e-01 -4.337348047e-01 4.54 -4.173176778e-01 -4.173176778e-01 4.56 -4.015524714e-01 -4.015524714e-01 4.58 -3.864293537e-01 -3.864293537e-01 4.60 -3.719343828e-01 -3.719343828e-01 4.62 -3.580492937e-01 -3.580492937e-01 4.64 -3.447517156e-01 -3.447517156e-01 4.66 -3.320157263e-01 -3.320157263e-01 4.68 -3.198126314e-01 -3.198126314e-01 4.70 -3.081118553e-01 -3.081118553e-01 4.72 -2.968818483e-01 -2.968818483e-01 4.74 -2.860909429e-01 -2.860909429e-01 4.76 -2.757081145e-01 -2.757081145e-01 4.78 -2.657036340e-01 -2.657036340e-01 4.80 -2.560495268e-01 -2.560495268e-01 4.82 -2.467203642e-01 -2.467203642e-01 4.84 -2.376930811e-01 -2.376930811e-01 4.86 -2.289476449e-01 -2.289476449e-01 4.88 -2.204671752e-01 -2.204671752e-01 4.90 -2.122380901e-01 -2.122380901e-01 4.92 -2.042501639e-01 -2.042501639e-01 4.94 -1.964964745e-01 -1.964964745e-01 4.96 -1.889732174e-01 -1.889732174e-01 4.98 -1.816793676e-01 -1.816793676e-01 5.00 -1.746161855e-01 -1.746161855e-01 5.02 -1.677865790e-01 -1.677865790e-01 5.04 -1.611943565e-01 -1.611943565e-01 5.06 -1.548434284e-01 -1.548434284e-01 5.08 -1.487369841e-01 -1.487369841e-01 5.10 -1.428765253e-01 -1.428765253e-01 5.12 -1.372621389e-01 -1.372621389e-01 5.14 -1.318917298e-01 -1.318917298e-01 5.16 -1.267607445e-01 -1.267607445e-01 5.18 -1.218622503e-01 -1.218622503e-01 5.20 -1.171871777e-01 -1.171871777e-01 5.22 -1.127246755e-01 -1.127246755e-01 5.24 -1.084625271e-01 -1.084625271e-01 5.26 -1.043875775e-01 -1.043875775e-01 5.28 -1.004861344e-01 -1.004861344e-01 5.30 -9.674431749e-02 -9.674431749e-02 5.32 -9.314834349e-02 -9.314834349e-02 5.34 -8.968474452e-02 -8.968474452e-02 5.36 -8.634052444e-02 -8.634052444e-02 5.38 -8.310326335e-02 -8.310326335e-02 5.40 -7.996118226e-02 -7.996118226e-02 5.42 -7.690318072e-02 -7.690318072e-02 5.44 -7.391885946e-02 -7.391885946e-02 5.46 -7.099853890e-02 -7.099853890e-02 5.48 -6.813328257e-02 -6.813328257e-02 5.50 -6.531493267e-02 -6.531493267e-02 5.52 -6.253616292e-02 -6.253616292e-02 5.54 -5.979055177e-02 -5.979055177e-02 5.56 -5.707267650e-02 -5.707267650e-02 5.58 -5.437822622e-02 -5.437822622e-02 5.60 -5.170412866e-02 -5.170412866e-02 5.62 -4.904868253e-02 -4.904868253e-02 5.64 -4.641168389e-02 -4.641168389e-02 5.66 -4.379453233e-02 -4.379453233e-02 5.68 -4.120029768e-02 -4.120029768e-02 5.70 -3.863373364e-02 -3.863373364e-02 5.72 -3.610121923e-02 -3.610121923e-02 5.74 -3.361061518e-02 -3.361061518e-02 5.76 -3.117102890e-02 -3.117102890e-02 5.78 -2.879248969e-02 -2.879248969e-02 5.80 -2.648554880e-02 -2.648554880e-02 5.82 -2.426082104e-02 -2.426082104e-02 5.84 -2.212850289e-02 -2.212850289e-02 5.86 -2.009790322e-02 -2.009790322e-02 5.88 -1.817702266e-02 -1.817702266e-02 5.90 -1.637221396e-02 -1.637221396e-02 5.92 -1.468785116e-02 -1.468785116e-02 5.94 -1.312617815e-02 -1.312617815e-02 5.96 -1.168782639e-02 -1.168782639e-02 5.98 -1.037150600e-02 -1.037150600e-02 6.00 -9.174175299e-03 -9.174175299e-03