# 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 = AgMg3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.774241520e+02 nan nan 1.16 3.468841208e+02 nan nan 1.18 3.189021810e+02 nan nan 1.20 2.932473991e+02 nan nan 1.22 2.697117255e+02 nan nan 1.24 2.481076195e+02 nan nan 1.26 2.282661192e+02 nan nan 1.28 2.100346493e+02 3.262293797e+02 3.746649344e+02 1.30 1.932749404e+02 3.019599564e+02 3.474116273e+02 1.32 1.778616358e+02 2.795433706e+02 3.222061899e+02 1.34 1.636812184e+02 2.588285178e+02 2.988835992e+02 1.36 1.506307000e+02 2.396779281e+02 2.772934349e+02 1.38 1.386161941e+02 2.219667604e+02 2.572981074e+02 1.40 1.275519544e+02 2.055813491e+02 2.387714727e+02 1.42 1.173598496e+02 1.904175311e+02 2.215981016e+02 1.44 1.079692336e+02 1.763792673e+02 2.056727834e+02 1.46 9.931620797e+01 1.633778848e+02 1.908997194e+02 1.48 9.134106709e+01 1.513318848e+02 1.771913868e+02 1.50 8.398901071e+01 1.401669062e+02 1.644674749e+02 1.52 7.720963509e+01 1.298154090e+02 1.526540909e+02 1.54 7.095682324e+01 1.202159601e+02 1.416832024e+02 1.56 6.518861465e+01 1.113124356e+02 1.314922451e+02 1.58 5.986687760e+01 1.030542989e+02 1.220237260e+02 1.60 5.495681907e+01 9.539405634e+01 1.132247456e+02 1.62 5.042651280e+01 8.828773625e+01 1.050472162e+02 1.64 4.624658399e+01 8.169459340e+01 9.744633836e+01 1.66 4.239001762e+01 7.557675476e+01 9.038011922e+01 1.68 3.883198426e+01 6.989904135e+01 8.380985170e+01 1.70 3.554963563e+01 6.462891146e+01 7.769984357e+01 1.72 3.252188514e+01 5.973640541e+01 7.201724130e+01 1.74 2.972923114e+01 5.519401346e+01 6.673177498e+01 1.76 2.715363375e+01 5.097645649e+01 6.181548313e+01 1.78 2.477842388e+01 4.706044774e+01 5.724247048e+01 1.80 2.258820389e+01 4.342447578e+01 5.298873475e+01 1.82 2.056872085e+01 4.004862954e+01 4.903200020e+01 1.84 1.870674149e+01 3.691444235e+01 4.535154942e+01 1.86 1.698996811e+01 3.400478223e+01 4.192804701e+01 1.88 1.540701616e+01 3.130375610e+01 3.874341017e+01 1.90 1.394743198e+01 2.879661698e+01 3.578074397e+01 1.92 1.260169998e+01 2.646965447e+01 3.302432453e+01 1.94 1.136119754e+01 2.431008760e+01 3.045961464e+01 1.96 1.021809137e+01 2.230598213e+01 2.807324047e+01 1.98 9.165214050e+00 2.044621462e+01 2.585291155e+01 2.00 8.195954530e+00 1.872046233e+01 2.378729803e+01 2.02 7.304173734e+00 1.711918697e+01 2.186590458e+01 2.04 6.484152964e+00 1.563359646e+01 2.007897475e+01 2.06 5.730558958e+00 1.425558171e+01 1.841742147e+01 2.08 5.038423897e+00 1.297763854e+01 1.687277816e+01 2.10 4.403129352e+00 1.179279374e+01 1.543715053e+01 2.12 3.820385286e+00 1.069454849e+01 1.410317766e+01 2.14 3.286201872e+00 9.676841073e+00 1.286399841e+01 2.16 2.796856393e+00 8.734025197e+00 1.171321860e+01 2.18 2.348870864e+00 7.860848368e+00 1.064487344e+01 2.20 1.938997098e+00 7.052429643e+00 9.653379580e+00 2.22 1.564216353e+00 6.304231649e+00 8.733500490e+00 2.24 1.221742239e+00 5.612037928e+00 7.880313706e+00 2.26 9.090197046e-01 4.971936277e+00 7.089201699e+00 2.28 6.237131346e-01 4.380303226e+00 6.355850371e+00 2.30 3.636872630e-01 3.833792908e+00 5.676251931e+00 2.32 1.269835016e-01 3.329311372e+00 5.046692219e+00 2.34 -8.820099837e-02 2.863996262e+00 4.463728132e+00 2.36 -2.835274527e-01 2.435185983e+00 3.924157557e+00 2.38 -4.605263238e-01 2.040394680e+00 3.424989015e+00 2.40 -6.206074128e-01 1.677289879e+00 2.963424270e+00 2.42 -7.650700325e-01 1.343673286e+00 2.536846221e+00 2.44 -8.951159272e-01 1.037468367e+00 2.142814987e+00 2.46 -1.011965467e+00 7.567102835e-01 1.779062687e+00 2.48 -1.116605241e+00 4.995416165e-01 1.443484095e+00 2.50 -1.209866513e+00 2.642111076e-01 1.134121628e+00 2.52 -1.292547368e+00 4.907386435e-02 8.491546462e-01 2.54 -1.365408823e+00 -1.474087975e-01 5.868869414e-01 2.56 -1.429173356e+00 -3.266711619e-01 3.457402091e-01 2.58 -1.484519728e+00 -4.900469226e-01 1.242490918e-01 2.60 -1.532087124e+00 -6.387741732e-01 -7.894336863e-02 2.62 -1.572482370e+00 -7.739994912e-01 -2.650906105e-01 2.64 -1.606275751e+00 -8.967826731e-01 -4.353514337e-01 2.66 -1.634001353e+00 -1.008097207e+00 -5.907947113e-01 2.68 -1.656163062e+00 -1.108923549e+00 -7.324111917e-01 2.70 -1.673239022e+00 -1.200028979e+00 -8.611226781e-01 2.72 -1.685685204e+00 -1.282043011e+00 -9.777919967e-01 2.74 -1.693937493e+00 -1.355551500e+00 -1.083250776e+00 2.76 -1.698412135e+00 -1.421101661e+00 -1.178358989e+00 2.78 -1.699504461e+00 -1.479206569e+00 -1.263779401e+00 2.80 -1.697587437e+00 -1.530350582e+00 -1.340139056e+00 2.82 -1.693013976e+00 -1.574989930e+00 -1.408060571e+00 2.84 -1.686164571e+00 -1.613559887e+00 -1.468159406e+00 2.86 -1.677282546e+00 -1.646478984e+00 -1.521038021e+00 2.88 -1.666568813e+00 -1.674143486e+00 -1.567278158e+00 2.90 -1.654213007e+00 -1.696928356e+00 -1.607432404e+00 2.92 -1.640392726e+00 -1.715189238e+00 -1.642019584e+00 2.94 -1.625272818e+00 -1.729264511e+00 -1.671520939e+00 2.96 -1.609002484e+00 -1.739477442e+00 -1.696370329e+00 2.98 -1.591704794e+00 -1.746138312e+00 -1.716958300e+00 3.00 -1.573407218e+00 -1.749546330e+00 -1.733629812e+00 3.02 -1.554107931e+00 -1.749990971e+00 -1.746694345e+00 3.04 -1.533822093e+00 -1.747751982e+00 -1.756431179e+00 3.06 -1.512579107e+00 -1.743100485e+00 -1.763095648e+00 3.08 -1.490420538e+00 -1.736321341e+00 -1.766924458e+00 3.10 -1.467398303e+00 -1.727682137e+00 -1.768139746e+00 3.12 -1.443572894e+00 -1.717357397e+00 -1.766951777e+00 3.14 -1.419011502e+00 -1.705509966e+00 -1.763560404e+00 3.16 -1.393786015e+00 -1.692290153e+00 -1.758171222e+00 3.18 -1.367970922e+00 -1.677836523e+00 -1.751004080e+00 3.20 -1.341641292e+00 -1.662275545e+00 -1.742181372e+00 3.22 -1.314871025e+00 -1.645723099e+00 -1.731817235e+00 3.24 -1.287731621e+00 -1.628281572e+00 -1.720023197e+00 3.26 -1.260291598e+00 -1.609997184e+00 -1.706907323e+00 3.28 -1.232616581e+00 -1.590874153e+00 -1.692573223e+00 3.30 -1.204769904e+00 -1.570931079e+00 -1.677119841e+00 3.32 -1.176813456e+00 -1.550201501e+00 -1.660641408e+00 3.34 -1.148808199e+00 -1.528730170e+00 -1.643206769e+00 3.36 -1.120815524e+00 -1.506569196e+00 -1.624821304e+00 3.38 -1.092895429e+00 -1.483774603e+00 -1.605492535e+00 3.40 -1.065106795e+00 -1.460403590e+00 -1.585242245e+00 3.42 -1.037505519e+00 -1.436513400e+00 -1.564104309e+00 3.44 -1.010144379e+00 -1.412159748e+00 -1.542122979e+00 3.46 -9.830699752e-01 -1.387397209e+00 -1.519351444e+00 3.48 -9.563235388e-01 -1.362279142e+00 -1.495850588e+00 3.50 -9.299402037e-01 -1.336857801e+00 -1.471687175e+00 3.52 -9.039505633e-01 -1.311184331e+00 -1.446935402e+00 3.54 -8.783792884e-01 -1.285308635e+00 -1.421671352e+00 3.56 -8.532470812e-01 -1.259279113e+00 -1.395974756e+00 3.58 -8.285708331e-01 -1.233142354e+00 -1.369926780e+00 3.60 -8.043640828e-01 -1.206942813e+00 -1.343608573e+00 3.62 -7.806374219e-01 -1.180722539e+00 -1.317099754e+00 3.64 -7.573988649e-01 -1.154520976e+00 -1.290476838e+00 3.66 -7.346541882e-01 -1.128374865e+00 -1.263811612e+00 3.68 -7.124072271e-01 -1.102318267e+00 -1.237169576e+00 3.70 -6.906601252e-01 -1.076382706e+00 -1.210608598e+00 3.72 -6.694135317e-01 -1.050597436e+00 -1.184178006e+00 3.74 -6.486667554e-01 -1.024989805e+00 -1.157918294e+00 3.76 -6.284178851e-01 -9.995857072e-01 -1.131861503e+00 3.78 -6.086638907e-01 -9.744100456e-01 -1.106032223e+00 3.80 -5.894007146e-01 -9.494871508e-01 -1.080448999e+00 3.82 -5.706233593e-01 -9.248410666e-01 -1.055125917e+00 3.84 -5.523259750e-01 -9.004956236e-01 -1.030074116e+00 3.86 -5.345019437e-01 -8.764742438e-01 -1.005303082e+00 3.88 -5.171439569e-01 -8.527994751e-01 -9.808216218e-01 3.90 -5.002440813e-01 -8.294923124e-01 -9.566385078e-01 3.92 -4.837935556e-01 -8.065711373e-01 -9.327624257e-01 3.94 -4.677838880e-01 -7.840522198e-01 -9.092037563e-01 3.96 -4.522051805e-01 -7.619472759e-01 -8.859718624e-01 3.98 -4.370473217e-01 -7.402646023e-01 -8.630767819e-01 4.00 -4.222996534e-01 -7.190087972e-01 -8.405284941e-01 4.02 -4.079509530e-01 -6.981811162e-01 -8.183366660e-01 4.04 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-6.234491047e-02 5.46 -1.604296810e-02 -4.449287461e-02 -6.003994623e-02 5.48 -1.529458877e-02 -4.262014454e-02 -5.783912823e-02 5.50 -1.457842212e-02 -4.083146984e-02 -5.573516769e-02 5.52 -1.389215409e-02 -3.912368184e-02 -5.372140213e-02 5.54 -1.323384151e-02 -3.749410227e-02 -5.179143225e-02 5.56 -1.260190831e-02 -3.594006795e-02 -4.994036749e-02 5.58 -1.199512628e-02 -3.445883726e-02 -4.816274722e-02 5.60 -1.141258165e-02 -3.304753869e-02 -4.645390274e-02 5.62 -1.085362959e-02 -3.170314661e-02 -4.480954035e-02 5.64 -1.031783886e-02 -3.042248200e-02 -4.322569793e-02 5.66 -9.804929912e-03 -2.920223371e-02 -4.169870525e-02 5.68 -9.314710197e-03 -2.803899409e-02 -4.022514787e-02 5.70 -8.847011040e-03 -2.692930276e-02 -3.880183475e-02 5.72 -8.401630211e-03 -2.586969301e-02 -3.742576943e-02 5.74 -7.978284013e-03 -2.485673499e-02 -3.609412454e-02 5.76 -7.576571662e-03 -2.388700606e-02 -3.480408388e-02 5.78 -7.195953435e-03 -2.295720918e-02 -3.355291306e-02 5.80 -6.835742668e-03 -2.206424954e-02 -3.233823325e-02 5.82 -6.495110382e-03 -2.120518742e-02 -3.115775798e-02 5.84 -6.173100295e-03 -2.037723806e-02 -3.000928085e-02 5.86 -5.868651406e-03 -1.957777662e-02 -2.889066952e-02 5.88 -5.580625171e-03 -1.880433941e-02 -2.779986256e-02 5.90 -5.307834512e-03 -1.805462258e-02 -2.673486933e-02 5.92 -5.049072369e-03 -1.732647983e-02 -2.569377301e-02 5.94 -4.803138138e-03 -1.661792017e-02 -2.467473701e-02 5.96 -4.568860932e-03 -1.592710678e-02 -2.367601119e-02 5.98 -4.345119226e-03 -1.525235774e-02 -2.269592304e-02 6.00 -4.130856818e-03 -1.459214912e-02 -2.173295132e-02