# 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 = Co2MgTi # 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 2.383350277e+02 2.383350277e+02 1.30 2.197958972e+02 2.197958972e+02 1.32 2.027007020e+02 2.027007020e+02 1.34 1.869294926e+02 1.869294926e+02 1.36 1.723732316e+02 1.723732316e+02 1.38 1.589333599e+02 1.589333599e+02 1.40 1.465205046e+02 1.465205046e+02 1.42 1.350529861e+02 1.350529861e+02 1.44 1.244556488e+02 1.244556488e+02 1.46 1.146593021e+02 1.146593021e+02 1.48 1.056006644e+02 1.056006644e+02 1.50 9.722227271e+01 9.722227271e+01 1.52 8.947189416e+01 8.947189416e+01 1.54 8.230167897e+01 8.230167897e+01 1.56 7.566761013e+01 7.566761013e+01 1.58 6.952925350e+01 6.952925350e+01 1.60 6.384946427e+01 6.384946427e+01 1.62 5.859394651e+01 5.859394651e+01 1.64 5.373080082e+01 5.373080082e+01 1.66 4.923024509e+01 4.923024509e+01 1.68 4.506476984e+01 4.506476984e+01 1.70 4.120996726e+01 4.120996726e+01 1.72 3.764231027e+01 3.764231027e+01 1.74 3.434021957e+01 3.434021957e+01 1.76 3.128404290e+01 3.128404290e+01 1.78 2.845580200e+01 2.845580200e+01 1.80 2.583902005e+01 2.583902005e+01 1.82 2.341860052e+01 2.341860052e+01 1.84 2.118068705e+01 2.118068705e+01 1.86 1.911249639e+01 1.911249639e+01 1.88 1.720213945e+01 1.720213945e+01 1.90 1.543845831e+01 1.543845831e+01 1.92 1.381089664e+01 1.381089664e+01 1.94 1.230943183e+01 1.230943183e+01 1.96 1.092458347e+01 1.092458347e+01 1.98 9.647480041e+00 9.647480041e+00 2.00 8.469930269e+00 8.469930269e+00 2.02 7.384448786e+00 7.384448786e+00 2.04 6.384219653e+00 6.384219653e+00 2.06 5.463016510e+00 5.463016510e+00 2.08 4.615116693e+00 4.615116693e+00 2.10 3.835236020e+00 3.835236020e+00 2.12 3.118484325e+00 3.118484325e+00 2.14 2.460330276e+00 2.460330276e+00 2.16 1.856569889e+00 1.856569889e+00 2.18 1.303296273e+00 1.303296273e+00 2.20 7.968715187e-01 7.968715187e-01 2.22 3.338967880e-01 3.338967880e-01 2.24 -8.881431786e-02 -8.881431786e-02 2.26 -4.742533602e-01 -4.742533602e-01 2.28 -8.252226932e-01 -8.252226932e-01 2.30 -1.144329890e+00 -1.144329890e+00 2.32 -1.433984442e+00 -1.433984442e+00 2.34 -1.696396476e+00 -1.696396476e+00 2.36 -1.933586145e+00 -1.933586145e+00 2.38 -2.147399283e+00 -2.147399283e+00 2.40 -2.339529579e+00 -2.339529579e+00 2.42 -2.511544369e+00 -2.511544369e+00 2.44 -2.664908599e+00 -2.664908599e+00 2.46 -2.801047152e+00 -2.801047152e+00 2.48 -2.921279815e+00 -2.921279815e+00 2.50 -3.026795123e+00 -3.026795123e+00 2.52 -3.118816174e+00 -3.118816174e+00 2.54 -3.198377822e+00 -3.198377822e+00 2.56 -3.266451930e+00 -3.266451930e+00 2.58 -3.323987725e+00 -3.323987725e+00 2.60 -3.371884657e+00 -3.371884657e+00 2.62 -3.410877478e+00 -3.410877478e+00 2.64 -3.441610601e+00 -3.441610601e+00 2.66 -3.464685052e+00 -3.464685052e+00 2.68 -3.480599439e+00 -3.480599439e+00 2.70 -3.489718073e+00 -3.489718073e+00 2.72 -3.492383763e+00 -3.492383763e+00 2.74 -3.488936217e+00 -3.488936217e+00 2.76 -3.479716437e+00 -3.479716437e+00 2.78 -3.465068058e+00 -3.465068058e+00 2.80 -3.445336846e+00 -3.445336846e+00 2.82 -3.420867208e+00 -3.420867208e+00 2.84 -3.392000223e+00 -3.392000223e+00 2.86 -3.359071313e+00 -3.359071313e+00 2.88 -3.322409042e+00 -3.322409042e+00 2.90 -3.282334992e+00 -3.282334992e+00 2.92 -3.239164922e+00 -3.239164922e+00 2.94 -3.193211437e+00 -3.193211437e+00 2.96 -3.144788183e+00 -3.144788183e+00 2.98 -3.094214774e+00 -3.094214774e+00 3.00 -3.041820592e+00 -3.041820592e+00 3.02 -2.987944817e+00 -2.987944817e+00 3.04 -2.932930258e+00 -2.932930258e+00 3.06 -2.877112115e+00 -2.877112115e+00 3.08 -2.820800397e+00 -2.820800397e+00 3.10 -2.764265680e+00 -2.764265680e+00 3.12 -2.707728435e+00 -2.707728435e+00 3.14 -2.651357459e+00 -2.651357459e+00 3.16 -2.595273263e+00 -2.595273263e+00 3.18 -2.539558717e+00 -2.539558717e+00 3.20 -2.484283704e+00 -2.484283704e+00 3.22 -2.429489739e+00 -2.429489739e+00 3.24 -2.375189638e+00 -2.375189638e+00 3.26 -2.321397894e+00 -2.321397894e+00 3.28 -2.268132954e+00 -2.268132954e+00 3.30 -2.215417673e+00 -2.215417673e+00 3.32 -2.163278490e+00 -2.163278490e+00 3.34 -2.111743913e+00 -2.111743913e+00 3.36 -2.060838071e+00 -2.060838071e+00 3.38 -2.010560203e+00 -2.010560203e+00 3.40 -1.960905601e+00 -1.960905601e+00 3.42 -1.911875650e+00 -1.911875650e+00 3.44 -1.863477114e+00 -1.863477114e+00 3.46 -1.815722649e+00 -1.815722649e+00 3.48 -1.768631184e+00 -1.768631184e+00 3.50 -1.722228115e+00 -1.722228115e+00 3.52 -1.676544834e+00 -1.676544834e+00 3.54 -1.631617289e+00 -1.631617289e+00 3.56 -1.587483504e+00 -1.587483504e+00 3.58 -1.544180281e+00 -1.544180281e+00 3.60 -1.501739628e+00 -1.501739628e+00 3.62 -1.460185600e+00 -1.460185600e+00 3.64 -1.419532207e+00 -1.419532207e+00 3.66 -1.379782771e+00 -1.379782771e+00 3.68 -1.340930724e+00 -1.340930724e+00 3.70 -1.302961539e+00 -1.302961539e+00 3.72 -1.265855278e+00 -1.265855278e+00 3.74 -1.229589246e+00 -1.229589246e+00 3.76 -1.194140353e+00 -1.194140353e+00 3.78 -1.159486927e+00 -1.159486927e+00 3.80 -1.125609898e+00 -1.125609898e+00 3.82 -1.092493351e+00 -1.092493351e+00 3.84 -1.060124544e+00 -1.060124544e+00 3.86 -1.028493502e+00 -1.028493502e+00 3.88 -9.975923273e-01 -9.975923273e-01 3.90 -9.674143478e-01 -9.674143478e-01 3.92 -9.379531130e-01 -9.379531130e-01 3.94 -9.092021579e-01 -9.092021579e-01 3.96 -8.811534979e-01 -8.811534979e-01 3.98 -8.537978409e-01 -8.537978409e-01 4.00 -8.271242361e-01 -8.271242361e-01 4.02 -8.011201012e-01 -8.011201012e-01 4.04 -7.757714264e-01 -7.757714264e-01 4.06 -7.510631198e-01 -7.510631198e-01 4.08 -7.269794587e-01 -7.269794587e-01 4.10 -7.035043073e-01 -7.035043073e-01 4.12 -6.806230206e-01 -6.806230206e-01 4.14 -6.583209865e-01 -6.583209865e-01 4.16 -6.365857198e-01 -6.365857198e-01 4.18 -6.154070518e-01 -6.154070518e-01 4.20 -5.947776012e-01 -5.947776012e-01 4.22 -5.746930582e-01 -5.746930582e-01 4.24 -5.551521957e-01 -5.551521957e-01 4.26 -5.361565437e-01 -5.361565437e-01 4.28 -5.177096966e-01 -5.177096966e-01 4.30 -4.998162878e-01 -4.998162878e-01 4.32 -4.824807317e-01 -4.824807317e-01 4.34 -4.657058934e-01 -4.657058934e-01 4.36 -4.494918724e-01 -4.494918724e-01 4.38 -4.338350714e-01 -4.338350714e-01 4.40 -4.187276658e-01 -4.187276658e-01 4.42 -4.041575111e-01 -4.041575111e-01 4.44 -3.901084436e-01 -3.901084436e-01 4.46 -3.765608744e-01 -3.765608744e-01 4.48 -3.634925477e-01 -3.634925477e-01 4.50 -3.508793423e-01 -3.508793423e-01 4.52 -3.386960176e-01 -3.386960176e-01 4.54 -3.269168463e-01 -3.269168463e-01 4.56 -3.155161064e-01 -3.155161064e-01 4.58 -3.044684375e-01 -3.044684375e-01 4.60 -2.937490826e-01 -2.937490826e-01 4.62 -2.833340458e-01 -2.833340458e-01 4.64 -2.732002030e-01 -2.732002030e-01 4.66 -2.633253974e-01 -2.633253974e-01 4.68 -2.536885504e-01 -2.536885504e-01 4.70 -2.442698128e-01 -2.442698128e-01 4.72 -2.350507752e-01 -2.350507752e-01 4.74 -2.260147495e-01 -2.260147495e-01 4.76 -2.171471247e-01 -2.171471247e-01 4.78 -2.084357897e-01 -2.084357897e-01 4.80 -1.998713704e-01 -1.998713704e-01 4.82 -1.914486913e-01 -1.914486913e-01 4.84 -1.831656917e-01 -1.831656917e-01 4.86 -1.750248517e-01 -1.750248517e-01 4.88 -1.670330941e-01 -1.670330941e-01 4.90 -1.592017326e-01 -1.592017326e-01 4.92 -1.515461277e-01 -1.515461277e-01 4.94 -1.440850193e-01 -1.440850193e-01 4.96 -1.368395464e-01 -1.368395464e-01 4.98 -1.298320072e-01 -1.298320072e-01 5.00 -1.230844578e-01 -1.230844578e-01 5.02 -1.166172767e-01 -1.166172767e-01 5.04 -1.104478373e-01 -1.104478373e-01 5.06 -1.045894162e-01 -1.045894162e-01 5.08 -9.905043836e-02 -9.905043836e-02 5.10 -9.383409936e-02 -9.383409936e-02 5.12 -8.893836825e-02 -8.893836825e-02 5.14 -8.435635590e-02 -8.435635590e-02 5.16 -8.007693390e-02 -8.007693390e-02 5.18 -7.608513294e-02 -7.608513294e-02 5.20 -7.236302186e-02 -7.236302186e-02 5.22 -6.889255077e-02 -6.889255077e-02 5.24 -6.565450907e-02 -6.565450907e-02 5.26 -6.262918647e-02 -6.262918647e-02 5.28 -5.979706009e-02 -5.979706009e-02 5.30 -5.713930806e-02 -5.713930806e-02 5.32 -5.463816585e-02 -5.463816585e-02 5.34 -5.227714869e-02 -5.227714869e-02 5.36 -5.004116611e-02 -5.004116611e-02 5.38 -4.791655345e-02 -4.791655345e-02 5.40 -4.589104297e-02 -4.589104297e-02 5.42 -4.395369352e-02 -4.395369352e-02 5.44 -4.209479481e-02 -4.209479481e-02 5.46 -4.030575903e-02 -4.030575903e-02 5.48 -3.857901049e-02 -3.857901049e-02 5.50 -3.690788177e-02 -3.690788177e-02 5.52 -3.528652315e-02 -3.528652315e-02 5.54 -3.370983030e-02 -3.370983030e-02 5.56 -3.217339354e-02 -3.217339354e-02 5.58 -3.067346925e-02 -3.067346925e-02 5.60 -2.920697245e-02 -2.920697245e-02 5.62 -2.777148624e-02 -2.777148624e-02 5.64 -2.636528239e-02 -2.636528239e-02 5.66 -2.498734481e-02 -2.498734481e-02 5.68 -2.363738683e-02 -2.363738683e-02 5.70 -2.231585232e-02 -2.231585232e-02 5.72 -2.102389236e-02 -2.102389236e-02 5.74 -1.976331031e-02 -1.976331031e-02 5.76 -1.853647096e-02 -1.853647096e-02 5.78 -1.734617399e-02 -1.734617399e-02 5.80 -1.619549599e-02 -1.619549599e-02 5.82 -1.508760965e-02 -1.508760965e-02 5.84 -1.402559263e-02 -1.402559263e-02 5.86 -1.301224032e-02 -1.301224032e-02 5.88 -1.204987342e-02 -1.204987342e-02 5.90 -1.114014264e-02 -1.114014264e-02 5.92 -1.028415875e-02 -1.028415875e-02 5.94 -9.482311446e-03 -9.482311446e-03 5.96 -8.734245573e-03 -8.734245573e-03 5.98 -8.038902940e-03 -8.038902940e-03 6.00 -7.394599118e-03 -7.394599118e-03