# 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 = AlFePt2 # 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 2.620410851e+02 2.620410851e+02 1.30 2.435380230e+02 2.435380230e+02 1.32 2.262761730e+02 2.262761730e+02 1.34 2.101743577e+02 2.101743577e+02 1.36 1.951563704e+02 1.951563704e+02 1.38 1.811456653e+02 1.811456653e+02 1.40 1.680660040e+02 1.680660040e+02 1.42 1.558459063e+02 1.558459063e+02 1.44 1.444209056e+02 1.444209056e+02 1.46 1.337336852e+02 1.337336852e+02 1.48 1.237342889e+02 1.237342889e+02 1.50 1.143786862e+02 1.143786862e+02 1.52 1.056247316e+02 1.056247316e+02 1.54 9.742855118e+01 9.742855118e+01 1.56 8.974405015e+01 8.974405015e+01 1.58 8.252494114e+01 8.252494114e+01 1.60 7.572732697e+01 7.572732697e+01 1.62 6.931186935e+01 6.931186935e+01 1.64 6.324561265e+01 6.324561265e+01 1.66 5.750340877e+01 5.750340877e+01 1.68 5.206829208e+01 5.206829208e+01 1.70 4.693018020e+01 4.693018020e+01 1.72 4.215609215e+01 4.215609215e+01 1.74 3.780263426e+01 3.780263426e+01 1.76 3.384117663e+01 3.384117663e+01 1.78 3.023901845e+01 3.023901845e+01 1.80 2.696218735e+01 2.696218735e+01 1.82 2.397811508e+01 2.397811508e+01 1.84 2.125779699e+01 2.125779699e+01 1.86 1.877667105e+01 1.877667105e+01 1.88 1.651417405e+01 1.651417405e+01 1.90 1.445243678e+01 1.445243678e+01 1.92 1.257486920e+01 1.257486920e+01 1.94 1.086534338e+01 1.086534338e+01 1.96 9.308218927e+00 9.308218927e+00 1.98 7.888875795e+00 7.888875795e+00 2.00 6.594204278e+00 6.594204278e+00 2.02 5.412742583e+00 5.412742583e+00 2.04 4.334509778e+00 4.334509778e+00 2.06 3.350732518e+00 3.350732518e+00 2.08 2.453599446e+00 2.453599446e+00 2.10 1.636069657e+00 1.636069657e+00 2.12 8.917206502e-01 8.917206502e-01 2.14 2.146339313e-01 2.146339313e-01 2.16 -4.006710922e-01 -4.006710922e-01 2.18 -9.592544350e-01 -9.592544350e-01 2.20 -1.465742665e+00 -1.465742665e+00 2.22 -1.924312137e+00 -1.924312137e+00 2.24 -2.338686965e+00 -2.338686965e+00 2.26 -2.712157350e+00 -2.712157350e+00 2.28 -3.047615126e+00 -3.047615126e+00 2.30 -3.347601082e+00 -3.347601082e+00 2.32 -3.614360333e+00 -3.614360333e+00 2.34 -3.849903462e+00 -3.849903462e+00 2.36 -4.056071887e+00 -4.056071887e+00 2.38 -4.234604433e+00 -4.234604433e+00 2.40 -4.387200233e+00 -4.387200233e+00 2.42 -4.515571211e+00 -4.515571211e+00 2.44 -4.621477543e+00 -4.621477543e+00 2.46 -4.708165823e+00 -4.708165823e+00 2.48 -4.778974044e+00 -4.778974044e+00 2.50 -4.835065616e+00 -4.835065616e+00 2.52 -4.877727463e+00 -4.877727463e+00 2.54 -4.908335425e+00 -4.908335425e+00 2.56 -4.928291442e+00 -4.928291442e+00 2.58 -4.938953620e+00 -4.938953620e+00 2.60 -4.941570726e+00 -4.941570726e+00 2.62 -4.937232046e+00 -4.937232046e+00 2.64 -4.926838041e+00 -4.926838041e+00 2.66 -4.911091070e+00 -4.911091070e+00 2.68 -4.890502786e+00 -4.890502786e+00 2.70 -4.865414073e+00 -4.865414073e+00 2.72 -4.836023591e+00 -4.836023591e+00 2.74 -4.802420622e+00 -4.802420622e+00 2.76 -4.764649024e+00 -4.764649024e+00 2.78 -4.723260403e+00 -4.723260403e+00 2.80 -4.678205776e+00 -4.678205776e+00 2.82 -4.629188516e+00 -4.629188516e+00 2.84 -4.575983536e+00 -4.575983536e+00 2.86 -4.518446672e+00 -4.518446672e+00 2.88 -4.456536266e+00 -4.456536266e+00 2.90 -4.390331992e+00 -4.390331992e+00 2.92 -4.320049360e+00 -4.320049360e+00 2.94 -4.246047917e+00 -4.246047917e+00 2.96 -4.168831625e+00 -4.168831625e+00 2.98 -4.089013007e+00 -4.089013007e+00 3.00 -4.007266833e+00 -4.007266833e+00 3.02 -3.924278722e+00 -3.924278722e+00 3.04 -3.840690888e+00 -3.840690888e+00 3.06 -3.757027628e+00 -3.757027628e+00 3.08 -3.673683764e+00 -3.673683764e+00 3.10 -3.590945414e+00 -3.590945414e+00 3.12 -3.508997223e+00 -3.508997223e+00 3.14 -3.427939570e+00 -3.427939570e+00 3.16 -3.347811073e+00 -3.347811073e+00 3.18 -3.268612114e+00 -3.268612114e+00 3.20 -3.190326025e+00 -3.190326025e+00 3.22 -3.112936023e+00 -3.112936023e+00 3.24 -3.036437017e+00 -3.036437017e+00 3.26 -2.960874331e+00 -2.960874331e+00 3.28 -2.886429744e+00 -2.886429744e+00 3.30 -2.813295411e+00 -2.813295411e+00 3.32 -2.741636442e+00 -2.741636442e+00 3.34 -2.671589652e+00 -2.671589652e+00 3.36 -2.603261931e+00 -2.603261931e+00 3.38 -2.536729371e+00 -2.536729371e+00 3.40 -2.472037786e+00 -2.472037786e+00 3.42 -2.409204765e+00 -2.409204765e+00 3.44 -2.348222990e+00 -2.348222990e+00 3.46 -2.289064443e+00 -2.289064443e+00 3.48 -2.231684961e+00 -2.231684961e+00 3.50 -2.176028686e+00 -2.176028686e+00 3.52 -2.122032071e+00 -2.122032071e+00 3.54 -2.069627210e+00 -2.069627210e+00 3.56 -2.018744422e+00 -2.018744422e+00 3.58 -1.969314072e+00 -1.969314072e+00 3.60 -1.921267729e+00 -1.921267729e+00 3.62 -1.874538762e+00 -1.874538762e+00 3.64 -1.829062520e+00 -1.829062520e+00 3.66 -1.784776223e+00 -1.784776223e+00 3.68 -1.741618682e+00 -1.741618682e+00 3.70 -1.699529965e+00 -1.699529965e+00 3.72 -1.658451077e+00 -1.658451077e+00 3.74 -1.618323727e+00 -1.618323727e+00 3.76 -1.579090218e+00 -1.579090218e+00 3.78 -1.540693474e+00 -1.540693474e+00 3.80 -1.503077212e+00 -1.503077212e+00 3.82 -1.466186237e+00 -1.466186237e+00 3.84 -1.429966840e+00 -1.429966840e+00 3.86 -1.394367265e+00 -1.394367265e+00 3.88 -1.359338221e+00 -1.359338221e+00 3.90 -1.324833427e+00 -1.324833427e+00 3.92 -1.290810150e+00 -1.290810150e+00 3.94 -1.257229785e+00 -1.257229785e+00 3.96 -1.224058391e+00 -1.224058391e+00 3.98 -1.191267306e+00 -1.191267306e+00 4.00 -1.158833750e+00 -1.158833750e+00 4.02 -1.126741455e+00 -1.126741455e+00 4.04 -1.094981286e+00 -1.094981286e+00 4.06 -1.063551794e+00 -1.063551794e+00 4.08 -1.032459625e+00 -1.032459625e+00 4.10 -1.001719669e+00 -1.001719669e+00 4.12 -9.713549011e-01 -9.713549011e-01 4.14 -9.413956513e-01 -9.413956513e-01 4.16 -9.118784948e-01 -9.118784948e-01 4.18 -8.828445947e-01 -8.828445947e-01 4.20 -8.543376762e-01 -8.543376762e-01 4.22 -8.264017863e-01 -8.264017863e-01 4.24 -7.990790357e-01 -7.990790357e-01 4.26 -7.724075126e-01 -7.724075126e-01 4.28 -7.464194996e-01 -7.464194996e-01 4.30 -7.211400561e-01 -7.211400561e-01 4.32 -6.965859550e-01 -6.965859550e-01 4.34 -6.727649285e-01 -6.727649285e-01 4.36 -6.496751742e-01 -6.496751742e-01 4.38 -6.273050958e-01 -6.273050958e-01 4.40 -6.056332902e-01 -6.056332902e-01 4.42 -5.846288112e-01 -5.846288112e-01 4.44 -5.642517427e-01 -5.642517427e-01 4.46 -5.444540902e-01 -5.444540902e-01 4.48 -5.251809723e-01 -5.251809723e-01 4.50 -5.063720639e-01 -5.063720639e-01 4.52 -4.879632265e-01 -4.879632265e-01 4.54 -4.698882618e-01 -4.698882618e-01 4.56 -4.520807382e-01 -4.520807382e-01 4.58 -4.344758583e-01 -4.344758583e-01 4.60 -4.170123545e-01 -4.170123545e-01 4.62 -3.996344115e-01 -3.996344115e-01 4.64 -3.822936146e-01 -3.822936146e-01 4.66 -3.649509082e-01 -3.649509082e-01 4.68 -3.475785235e-01 -3.475785235e-01 4.70 -3.301617994e-01 -3.301617994e-01 4.72 -3.127007786e-01 -3.127007786e-01 4.74 -2.952114257e-01 -2.952114257e-01 4.76 -2.777262894e-01 -2.777262894e-01 4.78 -2.602944280e-01 -2.602944280e-01 4.80 -2.429804404e-01 -2.429804404e-01 4.82 -2.258625493e-01 -2.258625493e-01 4.84 -2.090296422e-01 -2.090296422e-01 4.86 -1.925775232e-01 -1.925775232e-01 4.88 -1.766045052e-01 -1.766045052e-01 4.90 -1.612067169e-01 -1.612067169e-01 4.92 -1.464735051e-01 -1.464735051e-01 4.94 -1.324833192e-01 -1.324833192e-01 4.96 -1.193004118e-01 -1.193004118e-01 4.98 -1.069725852e-01 -1.069725852e-01 5.00 -9.553008601e-02 -9.553008601e-02 5.02 -8.498562009e-02 -8.498562009e-02 5.04 -7.533535071e-02 -7.533535071e-02 5.06 -6.656066469e-02 -6.656066469e-02 5.08 -5.863045727e-02 -5.863045727e-02 5.10 -5.150368504e-02 -5.150368504e-02 5.12 -4.513196583e-02 -4.513196583e-02 5.14 -3.946205741e-02 -3.946205741e-02 5.16 -3.443806400e-02 -3.443806400e-02 5.18 -3.000333930e-02 -3.000333930e-02 5.20 -2.610201918e-02 -2.610201918e-02 5.22 -2.268020649e-02 -2.268020649e-02 5.24 -1.968682825e-02 -1.968682825e-02 5.26 -1.707413024e-02 -1.707413024e-02 5.28 -1.479877119e-02 -1.479877119e-02 5.30 -1.282064785e-02 -1.282064785e-02 5.32 -1.110312001e-02 -1.110312001e-02 5.34 -9.613435649e-03 -9.613435649e-03 5.36 -8.322493801e-03 -8.322493801e-03 5.38 -7.204566241e-03 -7.204566241e-03 5.40 -6.237001669e-03 -6.237001669e-03 5.42 -5.399928394e-03 -5.399928394e-03 5.44 -4.675965882e-03 -4.675965882e-03 5.46 -4.049951681e-03 -4.049951681e-03 5.48 -3.508687493e-03 -3.508687493e-03 5.50 -3.040706289e-03 -3.040706289e-03 5.52 -2.636061035e-03 -2.636061035e-03 5.54 -2.286134735e-03 -2.286134735e-03 5.56 -1.983470857e-03 -1.983470857e-03 5.58 -1.721622918e-03 -1.721622918e-03 5.60 -1.495021727e-03 -1.495021727e-03 5.62 -1.298858744e-03 -1.298858744e-03 5.64 -1.128983968e-03 -1.128983968e-03 5.66 -9.818168448e-04 -9.818168448e-04 5.68 -8.542687242e-04 -8.542687242e-04 5.70 -7.436755376e-04 -7.436755376e-04 5.72 -6.477394552e-04 -6.477394552e-04 5.74 -5.644784064e-04 -5.644784064e-04 5.76 -4.921824616e-04 -4.921824616e-04 5.78 -4.293761854e-04 -4.293761854e-04 5.80 -3.747861706e-04 -3.747861706e-04 5.82 -3.273130598e-04 -3.273130598e-04 5.84 -2.860074484e-04 -2.860074484e-04 5.86 -2.500491368e-04 -2.500491368e-04 5.88 -2.187292727e-04 -2.187292727e-04 5.90 -1.914349826e-04 -1.914349826e-04 5.92 -1.676361467e-04 -1.676361467e-04 5.94 -1.468740179e-04 -1.468740179e-04 5.96 -1.287514274e-04 -1.287514274e-04 5.98 -1.129243540e-04 -1.129243540e-04 6.00 -9.909466583e-05 -9.909466583e-05