# 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 = AgCoZr2 # 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 3.048632002e+02 3.048632002e+02 1.30 2.828616674e+02 2.828616674e+02 1.32 2.624786122e+02 2.624786122e+02 1.34 2.435844254e+02 2.435844254e+02 1.36 2.260608156e+02 2.260608156e+02 1.38 2.098006322e+02 2.098006322e+02 1.40 1.947069055e+02 1.947069055e+02 1.42 1.806909975e+02 1.806909975e+02 1.44 1.676708387e+02 1.676708387e+02 1.46 1.555703040e+02 1.555703040e+02 1.48 1.443195949e+02 1.443195949e+02 1.50 1.338554188e+02 1.338554188e+02 1.52 1.241203148e+02 1.241203148e+02 1.54 1.150614910e+02 1.150614910e+02 1.56 1.066300464e+02 1.066300464e+02 1.58 9.878080969e+01 9.878080969e+01 1.60 9.147227711e+01 9.147227711e+01 1.62 8.466622903e+01 8.466622903e+01 1.64 7.832716979e+01 7.832716979e+01 1.66 7.242187592e+01 7.242187592e+01 1.68 6.691923440e+01 6.691923440e+01 1.70 6.179037897e+01 6.179037897e+01 1.72 5.700874998e+01 5.700874998e+01 1.74 5.254999633e+01 5.254999633e+01 1.76 4.839172758e+01 4.839172758e+01 1.78 4.451329550e+01 4.451329550e+01 1.80 4.089559340e+01 4.089559340e+01 1.82 3.752089643e+01 3.752089643e+01 1.84 3.437262741e+01 3.437262741e+01 1.86 3.143530110e+01 3.143530110e+01 1.88 2.869461197e+01 2.869461197e+01 1.90 2.613828263e+01 2.613828263e+01 1.92 2.375456094e+01 2.375456094e+01 1.94 2.153241626e+01 2.153241626e+01 1.96 1.946242191e+01 1.946242191e+01 1.98 1.753607493e+01 1.753607493e+01 2.00 1.574427621e+01 1.574427621e+01 2.02 1.407845378e+01 1.407845378e+01 2.04 1.253051934e+01 1.253051934e+01 2.06 1.109280538e+01 1.109280538e+01 2.08 9.757998490e+00 9.757998490e+00 2.10 8.519107794e+00 8.519107794e+00 2.12 7.369476381e+00 7.369476381e+00 2.14 6.302822378e+00 6.302822378e+00 2.16 5.313303894e+00 5.313303894e+00 2.18 4.395544509e+00 4.395544509e+00 2.20 3.544629193e+00 3.544629193e+00 2.22 2.756041901e+00 2.756041901e+00 2.24 2.025610524e+00 2.025610524e+00 2.26 1.349474578e+00 1.349474578e+00 2.28 7.240618322e-01 7.240618322e-01 2.30 1.461133247e-01 1.461133247e-01 2.32 -3.873647008e-01 -3.873647008e-01 2.34 -8.790983948e-01 -8.790983948e-01 2.36 -1.331615519e+00 -1.331615519e+00 2.38 -1.747289025e+00 -1.747289025e+00 2.40 -2.128381028e+00 -2.128381028e+00 2.42 -2.477084300e+00 -2.477084300e+00 2.44 -2.795536905e+00 -2.795536905e+00 2.46 -3.085836122e+00 -3.085836122e+00 2.48 -3.350026974e+00 -3.350026974e+00 2.50 -3.590079245e+00 -3.590079245e+00 2.52 -3.807859327e+00 -3.807859327e+00 2.54 -4.005105760e+00 -4.005105760e+00 2.56 -4.183414441e+00 -4.183414441e+00 2.58 -4.344235411e+00 -4.344235411e+00 2.60 -4.488879452e+00 -4.488879452e+00 2.62 -4.618527030e+00 -4.618527030e+00 2.64 -4.734255797e+00 -4.734255797e+00 2.66 -4.837043545e+00 -4.837043545e+00 2.68 -4.927894829e+00 -4.927894829e+00 2.70 -5.007529653e+00 -5.007529653e+00 2.72 -5.076578019e+00 -5.076578019e+00 2.74 -5.135653211e+00 -5.135653211e+00 2.76 -5.185351849e+00 -5.185351849e+00 2.78 -5.226248335e+00 -5.226248335e+00 2.80 -5.258902360e+00 -5.258902360e+00 2.82 -5.283834868e+00 -5.283834868e+00 2.84 -5.301422719e+00 -5.301422719e+00 2.86 -5.311835961e+00 -5.311835961e+00 2.88 -5.315266089e+00 -5.315266089e+00 2.90 -5.311943298e+00 -5.311943298e+00 2.92 -5.302129478e+00 -5.302129478e+00 2.94 -5.286124245e+00 -5.286124245e+00 2.96 -5.264263014e+00 -5.264263014e+00 2.98 -5.236848278e+00 -5.236848278e+00 3.00 -5.204198548e+00 -5.204198548e+00 3.02 -5.166647796e+00 -5.166647796e+00 3.04 -5.124535415e+00 -5.124535415e+00 3.06 -5.078219174e+00 -5.078219174e+00 3.08 -5.028039833e+00 -5.028039833e+00 3.10 -4.974338157e+00 -4.974338157e+00 3.12 -4.917443142e+00 -4.917443142e+00 3.14 -4.857673267e+00 -4.857673267e+00 3.16 -4.795294830e+00 -4.795294830e+00 3.18 -4.730571735e+00 -4.730571735e+00 3.20 -4.663766708e+00 -4.663766708e+00 3.22 -4.595140312e+00 -4.595140312e+00 3.24 -4.524950640e+00 -4.524950640e+00 3.26 -4.453453799e+00 -4.453453799e+00 3.28 -4.380904447e+00 -4.380904447e+00 3.30 -4.307555036e+00 -4.307555036e+00 3.32 -4.233684893e+00 -4.233684893e+00 3.34 -4.159579169e+00 -4.159579169e+00 3.36 -4.085389783e+00 -4.085389783e+00 3.38 -4.011250585e+00 -4.011250585e+00 3.40 -3.937275687e+00 -3.937275687e+00 3.42 -3.863564006e+00 -3.863564006e+00 3.44 -3.790187716e+00 -3.790187716e+00 3.46 -3.717203483e+00 -3.717203483e+00 3.48 -3.644654046e+00 -3.644654046e+00 3.50 -3.572572018e+00 -3.572572018e+00 3.52 -3.500984018e+00 -3.500984018e+00 3.54 -3.429914832e+00 -3.429914832e+00 3.56 -3.359384713e+00 -3.359384713e+00 3.58 -3.289409056e+00 -3.289409056e+00 3.60 -3.219998442e+00 -3.219998442e+00 3.62 -3.151158610e+00 -3.151158610e+00 3.64 -3.082890633e+00 -3.082890633e+00 3.66 -3.015191516e+00 -3.015191516e+00 3.68 -2.948055369e+00 -2.948055369e+00 3.70 -2.881475231e+00 -2.881475231e+00 3.72 -2.815445538e+00 -2.815445538e+00 3.74 -2.749965142e+00 -2.749965142e+00 3.76 -2.685040647e+00 -2.685040647e+00 3.78 -2.620689728e+00 -2.620689728e+00 3.80 -2.556943927e+00 -2.556943927e+00 3.82 -2.493850366e+00 -2.493850366e+00 3.84 -2.431471809e+00 -2.431471809e+00 3.86 -2.369884647e+00 -2.369884647e+00 3.88 -2.309174749e+00 -2.309174749e+00 3.90 -2.249431532e+00 -2.249431532e+00 3.92 -2.190737600e+00 -2.190737600e+00 3.94 -2.133176675e+00 -2.133176675e+00 3.96 -2.076805045e+00 -2.076805045e+00 3.98 -2.021664567e+00 -2.021664567e+00 4.00 -1.967777376e+00 -1.967777376e+00 4.02 -1.915147136e+00 -1.915147136e+00 4.04 -1.863761880e+00 -1.863761880e+00 4.06 -1.813597730e+00 -1.813597730e+00 4.08 -1.764622803e+00 -1.764622803e+00 4.10 -1.716794010e+00 -1.716794010e+00 4.12 -1.670088732e+00 -1.670088732e+00 4.14 -1.624462093e+00 -1.624462093e+00 4.16 -1.579880474e+00 -1.579880474e+00 4.18 -1.536314258e+00 -1.536314258e+00 4.20 -1.493738550e+00 -1.493738550e+00 4.22 -1.452133476e+00 -1.452133476e+00 4.24 -1.411484124e+00 -1.411484124e+00 4.26 -1.371780139e+00 -1.371780139e+00 4.28 -1.333015012e+00 -1.333015012e+00 4.30 -1.295185086e+00 -1.295185086e+00 4.32 -1.258288361e+00 -1.258288361e+00 4.34 -1.222323200e+00 -1.222323200e+00 4.36 -1.187287047e+00 -1.187287047e+00 4.38 -1.153175311e+00 -1.153175311e+00 4.40 -1.119980497e+00 -1.119980497e+00 4.42 -1.087691662e+00 -1.087691662e+00 4.44 -1.056294210e+00 -1.056294210e+00 4.46 -1.025769986e+00 -1.025769986e+00 4.48 -9.960976145e-01 -9.960976145e-01 4.50 -9.672529893e-01 -9.672529893e-01 4.52 -9.392098505e-01 -9.392098505e-01 4.54 -9.119403674e-01 -9.119403674e-01 4.56 -8.854156877e-01 -8.854156877e-01 4.58 -8.596064240e-01 -8.596064240e-01 4.60 -8.344830651e-01 -8.344830651e-01 4.62 -8.100163189e-01 -8.100163189e-01 4.64 -7.861773974e-01 -7.861773974e-01 4.66 -7.629382633e-01 -7.629382633e-01 4.68 -7.402718565e-01 -7.402718565e-01 4.70 -7.181523205e-01 -7.181523205e-01 4.72 -6.965552430e-01 -6.965552430e-01 4.74 -6.754579214e-01 -6.754579214e-01 4.76 -6.548396572e-01 -6.548396572e-01 4.78 -6.346820756e-01 -6.346820756e-01 4.80 -6.149633285e-01 -6.149633285e-01 4.82 -5.956839616e-01 -5.956839616e-01 4.84 -5.768271319e-01 -5.768271319e-01 4.86 -5.583868065e-01 -5.583868065e-01 4.88 -5.403604360e-01 -5.403604360e-01 4.90 -5.227488352e-01 -5.227488352e-01 4.92 -5.055558541e-01 -5.055558541e-01 4.94 -4.887878268e-01 -4.887878268e-01 4.96 -4.724528089e-01 -4.724528089e-01 4.98 -4.565596466e-01 -4.565596466e-01 5.00 -4.411169467e-01 -4.411169467e-01 5.02 -4.261320369e-01 -4.261320369e-01 5.04 -4.116100119e-01 -4.116100119e-01 5.06 -3.975529512e-01 -3.975529512e-01 5.08 -3.839593758e-01 -3.839593758e-01 5.10 -3.708239773e-01 -3.708239773e-01 5.12 -3.581376239e-01 -3.581376239e-01 5.14 -3.458876165e-01 -3.458876165e-01 5.16 -3.340581528e-01 -3.340581528e-01 5.18 -3.226309403e-01 -3.226309403e-01 5.20 -3.115859057e-01 -3.115859057e-01 5.22 -3.009019449e-01 -3.009019449e-01 5.24 -2.905576757e-01 -2.905576757e-01 5.26 -2.805321563e-01 -2.805321563e-01 5.28 -2.708055509e-01 -2.708055509e-01 5.30 -2.613597201e-01 -2.613597201e-01 5.32 -2.521787255e-01 -2.521787255e-01 5.34 -2.432492322e-01 -2.432492322e-01 5.36 -2.345607951e-01 -2.345607951e-01 5.38 -2.261060123e-01 -2.261060123e-01 5.40 -2.178805299e-01 -2.178805299e-01 5.42 -2.098828864e-01 -2.098828864e-01 5.44 -2.021141916e-01 -2.021141916e-01 5.46 -1.945776496e-01 -1.945776496e-01 5.48 -1.872779474e-01 -1.872779474e-01 5.50 -1.802205478e-01 -1.802205478e-01 5.52 -1.734109423e-01 -1.734109423e-01 5.54 -1.668539208e-01 -1.668539208e-01 5.56 -1.605529209e-01 -1.605529209e-01 5.58 -1.545095063e-01 -1.545095063e-01 5.60 -1.487229010e-01 -1.487229010e-01 5.62 -1.431897490e-01 -1.431897490e-01 5.64 -1.379047994e-01 -1.379047994e-01 5.66 -1.328605191e-01 -1.328605191e-01 5.68 -1.280473361e-01 -1.280473361e-01 5.70 -1.234540107e-01 -1.234540107e-01 5.72 -1.190680406e-01 -1.190680406e-01 5.74 -1.148760637e-01 -1.148760637e-01 5.76 -1.108642307e-01 -1.108642307e-01 5.78 -1.070185295e-01 -1.070185295e-01 5.80 -1.033250523e-01 -1.033250523e-01 5.82 -9.977020428e-02 -9.977020428e-02 5.84 -9.634085669e-02 -9.634085669e-02 5.86 -9.302445232e-02 -9.302445232e-02 5.88 -8.980907209e-02 -8.980907209e-02 5.90 -8.668347291e-02 -8.668347291e-02 5.92 -8.363710600e-02 -8.363710600e-02 5.94 -8.066012479e-02 -8.066012479e-02 5.96 -7.774338962e-02 -7.774338962e-02 5.98 -7.487847587e-02 -7.487847587e-02 6.00 -7.205769028e-02 -7.205769028e-02