# 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 = AgFePt2 # 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 3.172478540e+02 3.172478540e+02 1.30 2.944571492e+02 2.944571492e+02 1.32 2.732493987e+02 2.732493987e+02 1.34 2.535147347e+02 2.535147347e+02 1.36 2.351509920e+02 2.351509920e+02 1.38 2.180596150e+02 2.180596150e+02 1.40 2.021455435e+02 2.021455435e+02 1.42 1.873196558e+02 1.873196558e+02 1.44 1.734991666e+02 1.734991666e+02 1.46 1.606070418e+02 1.606070418e+02 1.48 1.485732137e+02 1.485732137e+02 1.50 1.373355031e+02 1.373355031e+02 1.52 1.268375531e+02 1.268375531e+02 1.54 1.170253277e+02 1.170253277e+02 1.56 1.078452325e+02 1.078452325e+02 1.58 9.924454373e+01 9.924454373e+01 1.60 9.117287369e+01 9.117287369e+01 1.62 8.358368769e+01 8.358368769e+01 1.64 7.643581887e+01 7.643581887e+01 1.66 6.969501460e+01 6.969501460e+01 1.68 6.333499234e+01 6.333499234e+01 1.70 5.733720451e+01 5.733720451e+01 1.72 5.170700706e+01 5.170700706e+01 1.74 4.654376849e+01 4.654376849e+01 1.76 4.183625303e+01 4.183625303e+01 1.78 3.754825788e+01 3.754825788e+01 1.80 3.364231048e+01 3.364231048e+01 1.82 3.008223791e+01 3.008223791e+01 1.84 2.683539503e+01 2.683539503e+01 1.86 2.387364182e+01 2.387364182e+01 1.88 2.117295926e+01 2.117295926e+01 1.90 1.871215358e+01 1.871215358e+01 1.92 1.647141689e+01 1.647141689e+01 1.94 1.443148032e+01 1.443148032e+01 1.96 1.257363403e+01 1.257363403e+01 1.98 1.088030231e+01 1.088030231e+01 2.00 9.335621926e+00 9.335621926e+00 2.02 7.925677275e+00 7.925677275e+00 2.04 6.638387765e+00 6.638387765e+00 2.06 5.463221101e+00 5.463221101e+00 2.08 4.390885640e+00 4.390885640e+00 2.10 3.413066191e+00 3.413066191e+00 2.12 2.522214526e+00 2.522214526e+00 2.14 1.711397831e+00 1.711397831e+00 2.16 9.742097503e-01 9.742097503e-01 2.18 3.047373069e-01 3.047373069e-01 2.20 -3.024389730e-01 -3.024389730e-01 2.22 -8.522390458e-01 -8.522390458e-01 2.24 -1.349089791e+00 -1.349089791e+00 2.26 -1.796949499e+00 -1.796949499e+00 2.28 -2.199348012e+00 -2.199348012e+00 2.30 -2.559438149e+00 -2.559438149e+00 2.32 -2.880055135e+00 -2.880055135e+00 2.34 -3.163781595e+00 -3.163781595e+00 2.36 -3.413015642e+00 -3.413015642e+00 2.38 -3.630038109e+00 -3.630038109e+00 2.40 -3.817073416e+00 -3.817073416e+00 2.42 -3.976337517e+00 -3.976337517e+00 2.44 -4.110819805e+00 -4.110819805e+00 2.46 -4.225134993e+00 -4.225134993e+00 2.48 -4.320921129e+00 -4.320921129e+00 2.50 -4.399677489e+00 -4.399677489e+00 2.52 -4.463012775e+00 -4.463012775e+00 2.54 -4.512584677e+00 -4.512584677e+00 2.56 -4.550021792e+00 -4.550021792e+00 2.58 -4.576838316e+00 -4.576838316e+00 2.60 -4.594360260e+00 -4.594360260e+00 2.62 -4.603680851e+00 -4.603680851e+00 2.64 -4.605652151e+00 -4.605652151e+00 2.66 -4.600907037e+00 -4.600907037e+00 2.68 -4.589898510e+00 -4.589898510e+00 2.70 -4.572943351e+00 -4.572943351e+00 2.72 -4.550261744e+00 -4.550261744e+00 2.74 -4.522009385e+00 -4.522009385e+00 2.76 -4.488302001e+00 -4.488302001e+00 2.78 -4.449235517e+00 -4.449235517e+00 2.80 -4.404899221e+00 -4.404899221e+00 2.82 -4.355386797e+00 -4.355386797e+00 2.84 -4.300816223e+00 -4.300816223e+00 2.86 -4.241347457e+00 -4.241347457e+00 2.88 -4.177202526e+00 -4.177202526e+00 2.90 -4.108686166e+00 -4.108686166e+00 2.92 -4.036222931e+00 -4.036222931e+00 2.94 -3.960400405e+00 -3.960400405e+00 2.96 -3.881764269e+00 -3.881764269e+00 2.98 -3.800930955e+00 -3.800930955e+00 3.00 -3.718525146e+00 -3.718525146e+00 3.02 -3.635149397e+00 -3.635149397e+00 3.04 -3.551359417e+00 -3.551359417e+00 3.06 -3.467621051e+00 -3.467621051e+00 3.08 -3.384286518e+00 -3.384286518e+00 3.10 -3.301591831e+00 -3.301591831e+00 3.12 -3.219673553e+00 -3.219673553e+00 3.14 -3.138593126e+00 -3.138593126e+00 3.16 -3.058361165e+00 -3.058361165e+00 3.18 -2.978963858e+00 -2.978963858e+00 3.20 -2.900458122e+00 -2.900458122e+00 3.22 -2.823065562e+00 -2.823065562e+00 3.24 -2.746994860e+00 -2.746994860e+00 3.26 -2.672424268e+00 -2.672424268e+00 3.28 -2.599508147e+00 -2.599508147e+00 3.30 -2.528378429e+00 -2.528378429e+00 3.32 -2.459143308e+00 -2.459143308e+00 3.34 -2.391885023e+00 -2.391885023e+00 3.36 -2.326658128e+00 -2.326658128e+00 3.38 -2.263489049e+00 -2.263489049e+00 3.40 -2.202377244e+00 -2.202377244e+00 3.42 -2.143297863e+00 -2.143297863e+00 3.44 -2.086205509e+00 -2.086205509e+00 3.46 -2.031038623e+00 -2.031038623e+00 3.48 -1.977723968e+00 -1.977723968e+00 3.50 -1.926180809e+00 -1.926180809e+00 3.52 -1.876324503e+00 -1.876324503e+00 3.54 -1.828069351e+00 -1.828069351e+00 3.56 -1.781330690e+00 -1.781330690e+00 3.58 -1.736026275e+00 -1.736026275e+00 3.60 -1.692077060e+00 -1.692077060e+00 3.62 -1.649407519e+00 -1.649407519e+00 3.64 -1.607945643e+00 -1.607945643e+00 3.66 -1.567622744e+00 -1.567622744e+00 3.68 -1.528373164e+00 -1.528373164e+00 3.70 -1.490134010e+00 -1.490134010e+00 3.72 -1.452844937e+00 -1.452844937e+00 3.74 -1.416448056e+00 -1.416448056e+00 3.76 -1.380887957e+00 -1.380887957e+00 3.78 -1.346111855e+00 -1.346111855e+00 3.80 -1.312069821e+00 -1.312069821e+00 3.82 -1.278715072e+00 -1.278715072e+00 3.84 -1.246004268e+00 -1.246004268e+00 3.86 -1.213897786e+00 -1.213897786e+00 3.88 -1.182359940e+00 -1.182359940e+00 3.90 -1.151359132e+00 -1.151359132e+00 3.92 -1.120867951e+00 -1.120867951e+00 3.94 -1.090863244e+00 -1.090863244e+00 3.96 -1.061326166e+00 -1.061326166e+00 3.98 -1.032242289e+00 -1.032242289e+00 4.00 -1.003601745e+00 -1.003601745e+00 4.02 -9.753994378e-01 -9.753994378e-01 4.04 -9.476352739e-01 -9.476352739e-01 4.06 -9.203143640e-01 -9.203143640e-01 4.08 -8.934470993e-01 -8.934470993e-01 4.10 -8.670489863e-01 -8.670489863e-01 4.12 -8.411401749e-01 -8.411401749e-01 4.14 -8.157444971e-01 -8.157444971e-01 4.16 -7.908881362e-01 -7.908881362e-01 4.18 -7.665978719e-01 -7.665978719e-01 4.20 -7.428990847e-01 -7.428990847e-01 4.22 -7.198137126e-01 -7.198137126e-01 4.24 -6.973583891e-01 -6.973583891e-01 4.26 -6.755429666e-01 -6.755429666e-01 4.28 -6.543695609e-01 -6.543695609e-01 4.30 -6.338321586e-01 -6.338321586e-01 4.32 -6.139167322e-01 -6.139167322e-01 4.34 -5.946017462e-01 -5.946017462e-01 4.36 -5.758589049e-01 -5.758589049e-01 4.38 -5.576540092e-01 -5.576540092e-01 4.40 -5.399478247e-01 -5.399478247e-01 4.42 -5.226969084e-01 -5.226969084e-01 4.44 -5.058543851e-01 -5.058543851e-01 4.46 -4.893706872e-01 -4.893706872e-01 4.48 -4.731942855e-01 -4.731942855e-01 4.50 -4.572724435e-01 -4.572724435e-01 4.52 -4.415520211e-01 -4.415520211e-01 4.54 -4.259803544e-01 -4.259803544e-01 4.56 -4.105062345e-01 -4.105062345e-01 4.58 -3.950810060e-01 -3.950810060e-01 4.60 -3.796598037e-01 -3.796598037e-01 4.62 -3.642029369e-01 -3.642029369e-01 4.64 -3.486774152e-01 -3.486774152e-01 4.66 -3.330585893e-01 -3.330585893e-01 4.68 -3.173318474e-01 -3.173318474e-01 4.70 -3.014942733e-01 -3.014942733e-01 4.72 -2.855561321e-01 -2.855561321e-01 4.74 -2.695420194e-01 -2.695420194e-01 4.76 -2.534914860e-01 -2.534914860e-01 4.78 -2.374589553e-01 -2.374589553e-01 4.80 -2.215127791e-01 -2.215127791e-01 4.82 -2.057333510e-01 -2.057333510e-01 4.84 -1.902102650e-01 -1.902102650e-01 4.86 -1.750386687e-01 -1.750386687e-01 4.88 -1.603150265e-01 -1.603150265e-01 4.90 -1.461326319e-01 -1.461326319e-01 4.92 -1.325772510e-01 -1.325772510e-01 4.94 -1.197232754e-01 -1.197232754e-01 4.96 -1.076307181e-01 -1.076307181e-01 4.98 -9.634323957e-02 -9.634323957e-02 5.00 -8.588730763e-02 -8.588730763e-02 5.02 -7.627244375e-02 -7.627244375e-02 5.04 -6.749240011e-02 -6.749240011e-02 5.06 -5.952704421e-02 -5.952704421e-02 5.08 -5.234496457e-02 -5.234496457e-02 5.10 -4.590619890e-02 -4.590619890e-02 5.12 -4.016313612e-02 -4.016313612e-02 5.14 -3.506411268e-02 -3.506411268e-02 5.16 -3.055559248e-02 -3.055559248e-02 5.18 -2.658388742e-02 -2.658388742e-02 5.20 -2.309651393e-02 -2.309651393e-02 5.22 -2.004321805e-02 -2.004321805e-02 5.24 -1.737668856e-02 -1.737668856e-02 5.26 -1.505284192e-02 -1.505284192e-02 5.28 -1.303085338e-02 -1.303085338e-02 5.30 -1.127459947e-02 -1.127459947e-02 5.32 -9.751442414e-03 -9.751442414e-03 5.34 -8.432049854e-03 -8.432049854e-03 5.36 -7.290271801e-03 -7.290271801e-03 5.38 -6.302947967e-03 -6.302947967e-03 5.40 -5.449676075e-03 -5.449676075e-03 5.42 -4.712562943e-03 -4.712562943e-03 5.44 -4.075973275e-03 -4.075973275e-03 5.46 -3.526286039e-03 -3.526286039e-03 5.48 -3.051664586e-03 -3.051664586e-03 5.50 -2.641844024e-03 -2.641844024e-03 5.52 -2.287937481e-03 -2.287937481e-03 5.54 -1.982261610e-03 -1.982261610e-03 5.56 -1.718180881e-03 -1.718180881e-03 5.58 -1.489969631e-03 -1.489969631e-03 5.60 -1.292690595e-03 -1.292690595e-03 5.62 -1.122088452e-03 -1.122088452e-03 5.64 -9.744969087e-04 -9.744969087e-04 5.66 -8.467578620e-04 -8.467578620e-04 5.68 -7.361512576e-04 -7.361512576e-04 5.70 -6.403343661e-04 -6.403343661e-04 5.72 -5.572893059e-04 -5.572893059e-04 5.74 -4.852777595e-04 -4.852777595e-04 5.76 -4.228019427e-04 -4.228019427e-04 5.78 -3.685709965e-04 -3.685709965e-04 5.80 -3.214720674e-04 -3.214720674e-04 5.82 -2.805454377e-04 -2.805454377e-04 5.84 -2.449631457e-04 -2.449631457e-04 5.86 -2.140106111e-04 -2.140106111e-04 5.88 -1.870708471e-04 -1.870708471e-04 5.90 -1.636108936e-04 -1.636108936e-04 5.92 -1.431701602e-04 -1.431701602e-04 5.94 -1.253504086e-04 -1.253504086e-04 5.96 -1.098071425e-04 -1.098071425e-04 5.98 -9.624220543e-05 -9.624220543e-05 6.00 -8.439741591e-05 -8.439741591e-05