# 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 = CoMo2Pd # 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 2.752669516e+02 2.752669516e+02 1.30 2.545635753e+02 2.545635753e+02 1.32 2.354140552e+02 2.354140552e+02 1.34 2.176889263e+02 2.176889263e+02 1.36 2.012711713e+02 2.012711713e+02 1.38 1.860547662e+02 1.860547662e+02 1.40 1.719438255e+02 1.719438255e+02 1.42 1.588517746e+02 1.588517746e+02 1.44 1.467003544e+02 1.467003544e+02 1.46 1.354184511e+02 1.354184511e+02 1.48 1.249409996e+02 1.249409996e+02 1.50 1.152082886e+02 1.152082886e+02 1.52 1.061656239e+02 1.061656239e+02 1.54 9.776302973e+01 9.776302973e+01 1.56 8.995478895e+01 8.995478895e+01 1.58 8.269880742e+01 8.269880742e+01 1.60 7.595592461e+01 7.595592461e+01 1.62 6.968935560e+01 6.968935560e+01 1.64 6.386437066e+01 6.386437066e+01 1.66 5.844820037e+01 5.844820037e+01 1.68 5.341010533e+01 5.341010533e+01 1.70 4.872152751e+01 4.872152751e+01 1.72 4.435622735e+01 4.435622735e+01 1.74 4.029104683e+01 4.029104683e+01 1.76 3.650903198e+01 3.650903198e+01 1.78 3.299771049e+01 3.299771049e+01 1.80 2.975525003e+01 2.975525003e+01 1.82 2.676443380e+01 2.676443380e+01 1.84 2.400815574e+01 2.400815574e+01 1.86 2.147015218e+01 2.147015218e+01 1.88 1.913491055e+01 1.913491055e+01 1.90 1.698770347e+01 1.698770347e+01 1.92 1.501465119e+01 1.501465119e+01 1.94 1.320274365e+01 1.320274365e+01 1.96 1.153981146e+01 1.153981146e+01 1.98 1.001447383e+01 1.001447383e+01 2.00 8.616089203e+00 8.616089203e+00 2.02 7.334706586e+00 7.334706586e+00 2.04 6.161001065e+00 6.161001065e+00 2.06 5.086193104e+00 5.086193104e+00 2.08 4.101977109e+00 4.101977109e+00 2.10 3.200491604e+00 3.200491604e+00 2.12 2.374346178e+00 2.374346178e+00 2.14 1.616693886e+00 1.616693886e+00 2.16 9.213181909e-01 9.213181909e-01 2.18 2.826986086e-01 2.826986086e-01 2.20 -3.039712318e-01 -3.039712318e-01 2.22 -8.428212420e-01 -8.428212420e-01 2.24 -1.337388203e+00 -1.337388203e+00 2.26 -1.790723951e+00 -1.790723951e+00 2.28 -2.205506751e+00 -2.205506751e+00 2.30 -2.584140229e+00 -2.584140229e+00 2.32 -2.928832101e+00 -2.928832101e+00 2.34 -3.241651150e+00 -3.241651150e+00 2.36 -3.524564491e+00 -3.524564491e+00 2.38 -3.779458877e+00 -3.779458877e+00 2.40 -4.008150475e+00 -4.008150475e+00 2.42 -4.212387583e+00 -4.212387583e+00 2.44 -4.393849825e+00 -4.393849825e+00 2.46 -4.554136601e+00 -4.554136601e+00 2.48 -4.694512682e+00 -4.694512682e+00 2.50 -4.816543545e+00 -4.816543545e+00 2.52 -4.921863481e+00 -4.921863481e+00 2.54 -5.011935517e+00 -5.011935517e+00 2.56 -5.088048015e+00 -5.088048015e+00 2.58 -5.151319536e+00 -5.151319536e+00 2.60 -5.202711763e+00 -5.202711763e+00 2.62 -5.243022623e+00 -5.243022623e+00 2.64 -5.272589585e+00 -5.272589585e+00 2.66 -5.291492403e+00 -5.291492403e+00 2.68 -5.299868633e+00 -5.299868633e+00 2.70 -5.297833554e+00 -5.297833554e+00 2.72 -5.285545826e+00 -5.285545826e+00 2.74 -5.263217103e+00 -5.263217103e+00 2.76 -5.231110677e+00 -5.231110677e+00 2.78 -5.189615813e+00 -5.189615813e+00 2.80 -5.139365940e+00 -5.139365940e+00 2.82 -5.080656102e+00 -5.080656102e+00 2.84 -5.013805321e+00 -5.013805321e+00 2.86 -4.939172382e+00 -4.939172382e+00 2.88 -4.857198377e+00 -4.857198377e+00 2.90 -4.768428197e+00 -4.768428197e+00 2.92 -4.673508506e+00 -4.673508506e+00 2.94 -4.573179620e+00 -4.573179620e+00 2.96 -4.468283465e+00 -4.468283465e+00 2.98 -4.359734532e+00 -4.359734532e+00 3.00 -4.248450628e+00 -4.248450628e+00 3.02 -4.135313729e+00 -4.135313729e+00 3.04 -4.021132960e+00 -4.021132960e+00 3.06 -3.906612031e+00 -3.906612031e+00 3.08 -3.792324825e+00 -3.792324825e+00 3.10 -3.678701838e+00 -3.678701838e+00 3.12 -3.566028595e+00 -3.566028595e+00 3.14 -3.454455412e+00 -3.454455412e+00 3.16 -3.344016334e+00 -3.344016334e+00 3.18 -3.234654195e+00 -3.234654195e+00 3.20 -3.126248618e+00 -3.126248618e+00 3.22 -3.018644346e+00 -3.018644346e+00 3.24 -2.911678043e+00 -2.911678043e+00 3.26 -2.805202473e+00 -2.805202473e+00 3.28 -2.699107459e+00 -2.699107459e+00 3.30 -2.593337260e+00 -2.593337260e+00 3.32 -2.487904015e+00 -2.487904015e+00 3.34 -2.382896824e+00 -2.382896824e+00 3.36 -2.278485920e+00 -2.278485920e+00 3.38 -2.174921401e+00 -2.174921401e+00 3.40 -2.072526202e+00 -2.072526202e+00 3.42 -1.971683338e+00 -1.971683338e+00 3.44 -1.872818038e+00 -1.872818038e+00 3.46 -1.776376009e+00 -1.776376009e+00 3.48 -1.682799613e+00 -1.682799613e+00 3.50 -1.592504136e+00 -1.592504136e+00 3.52 -1.505856328e+00 -1.505856328e+00 3.54 -1.423157137e+00 -1.423157137e+00 3.56 -1.344629947e+00 -1.344629947e+00 3.58 -1.270414919e+00 -1.270414919e+00 3.60 -1.200569229e+00 -1.200569229e+00 3.62 -1.135072397e+00 -1.135072397e+00 3.64 -1.073835466e+00 -1.073835466e+00 3.66 -1.016712617e+00 -1.016712617e+00 3.68 -9.635138553e-01 -9.635138553e-01 3.70 -9.140175994e-01 -9.140175994e-01 3.72 -8.679823199e-01 -8.679823199e-01 3.74 -8.251566569e-01 -8.251566569e-01 3.76 -7.852877513e-01 -7.852877513e-01 3.78 -7.481277446e-01 -7.481277446e-01 3.80 -7.134385615e-01 -7.134385615e-01 3.82 -6.809951913e-01 -6.809951913e-01 3.84 -6.505877291e-01 -6.505877291e-01 3.86 -6.220224446e-01 -6.220224446e-01 3.88 -5.951221309e-01 -5.951221309e-01 3.90 -5.697259525e-01 -5.697259525e-01 3.92 -5.456889709e-01 -5.456889709e-01 3.94 -5.228814896e-01 -5.228814896e-01 3.96 -5.011883117e-01 -5.011883117e-01 3.98 -4.805079753e-01 -4.805079753e-01 4.00 -4.607519886e-01 -4.607519886e-01 4.02 -4.418440608e-01 -4.418440608e-01 4.04 -4.237193010e-01 -4.237193010e-01 4.06 -4.063233439e-01 -4.063233439e-01 4.08 -3.896113605e-01 -3.896113605e-01 4.10 -3.735469273e-01 -3.735469273e-01 4.12 -3.581007554e-01 -3.581007554e-01 4.14 -3.432493070e-01 -3.432493070e-01 4.16 -3.289733775e-01 -3.289733775e-01 4.18 -3.152567236e-01 -3.152567236e-01 4.20 -3.020848240e-01 -3.020848240e-01 4.22 -2.894438437e-01 -2.894438437e-01 4.24 -2.773198260e-01 -2.773198260e-01 4.26 -2.656980958e-01 -2.656980958e-01 4.28 -2.545628327e-01 -2.545628327e-01 4.30 -2.438967632e-01 -2.438967632e-01 4.32 -2.336809279e-01 -2.336809279e-01 4.34 -2.238944774e-01 -2.238944774e-01 4.36 -2.145145445e-01 -2.145145445e-01 4.38 -2.055166201e-01 -2.055166201e-01 4.40 -1.968745774e-01 -1.968745774e-01 4.42 -1.885609997e-01 -1.885609997e-01 4.44 -1.805475656e-01 -1.805475656e-01 4.46 -1.728056452e-01 -1.728056452e-01 4.48 -1.653069329e-01 -1.653069329e-01 4.50 -1.580240781e-01 -1.580240781e-01 4.52 -1.509312840e-01 -1.509312840e-01 4.54 -1.440048586e-01 -1.440048586e-01 4.56 -1.372237106e-01 -1.372237106e-01 4.58 -1.305697908e-01 -1.305697908e-01 4.60 -1.240284746e-01 -1.240284746e-01 4.62 -1.175888802e-01 -1.175888802e-01 4.64 -1.112441066e-01 -1.112441066e-01 4.66 -1.049913690e-01 -1.049913690e-01 4.68 -9.883200655e-02 -9.883200655e-02 4.70 -9.277133581e-02 -9.277133581e-02 4.72 -8.681833379e-02 -8.681833379e-02 4.74 -8.098514828e-02 -8.098514828e-02 4.76 -7.528645238e-02 -7.528645238e-02 4.78 -6.973868150e-02 -6.973868150e-02 4.80 -6.435920818e-02 -6.435920818e-02 4.82 -5.916552083e-02 -5.916552083e-02 4.84 -5.417446583e-02 -5.417446583e-02 4.86 -4.940160541e-02 -4.940160541e-02 4.88 -4.486071631e-02 -4.486071631e-02 4.90 -4.056343576e-02 -4.056343576e-02 4.92 -3.651901552e-02 -3.651901552e-02 4.94 -3.273417043e-02 -3.273417043e-02 4.96 -2.921297817e-02 -2.921297817e-02 4.98 -2.595681023e-02 -2.595681023e-02 5.00 -2.296431321e-02 -2.296431321e-02 5.02 -2.023141904e-02 -2.023141904e-02 5.04 -1.775141809e-02 -1.775141809e-02 5.06 -1.551484336e-02 -1.551484336e-02 5.08 -1.351011525e-02 -1.351011525e-02 5.10 -1.172426633e-02 -1.172426633e-02 5.12 -1.014272828e-02 -1.014272828e-02 5.14 -8.749839670e-03 -8.749839670e-03 5.16 -7.529357153e-03 -7.529357153e-03 5.18 -6.464930207e-03 -6.464930207e-03 5.20 -5.540513914e-03 -5.540513914e-03 5.22 -4.740704058e-03 -4.740704058e-03 5.24 -4.050988645e-03 -4.050988645e-03 5.26 -3.457918231e-03 -3.457918231e-03 5.28 -2.949203411e-03 -2.949203411e-03 5.30 -2.513751208e-03 -2.513751208e-03 5.32 -2.141653434e-03 -2.141653434e-03 5.34 -1.824139699e-03 -1.824139699e-03 5.36 -1.553506431e-03 -1.553506431e-03 5.38 -1.323031412e-03 -1.323031412e-03 5.40 -1.126881309e-03 -1.126881309e-03 5.42 -9.600178122e-04 -9.600178122e-04 5.44 -8.181063466e-04 -8.181063466e-04 5.46 -6.974299382e-04 -6.974299382e-04 5.48 -5.948098011e-04 -5.948098011e-04 5.50 -5.075333937e-04 -5.075333937e-04 5.52 -4.332901412e-04 -4.332901412e-04 5.54 -3.701146422e-04 -3.701146422e-04 5.56 -3.163369322e-04 -3.163369322e-04 5.58 -2.705392417e-04 -2.705392417e-04 5.60 -2.315186205e-04 -2.315186205e-04 5.62 -1.982547892e-04 -1.982547892e-04 5.64 -1.698825911e-04 -1.698825911e-04 5.66 -1.456684630e-04 -1.456684630e-04 5.68 -1.249903896e-04 -1.249903896e-04 5.70 -1.073208593e-04 -1.073208593e-04 5.72 -9.221239706e-05 -9.221239706e-05 5.74 -7.928529877e-05 -7.928529877e-05 5.76 -6.821724321e-05 -6.821724321e-05 5.78 -5.873449938e-05 -5.873449938e-05 5.80 -5.060448855e-05 -5.060448855e-05 5.82 -4.362949375e-05 -4.362949375e-05 5.84 -3.764134066e-05 -3.764134066e-05 5.86 -3.249689997e-05 -3.249689997e-05 5.88 -2.807428384e-05 -2.807428384e-05 5.90 -2.426962887e-05 -2.426962887e-05 5.92 -2.099437428e-05 -2.099437428e-05 5.94 -1.817295833e-05 -1.817295833e-05 5.96 -1.574086796e-05 -1.574086796e-05 5.98 -1.364298667e-05 -1.364298667e-05 6.00 -1.183219443e-05 -1.183219443e-05