# 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 = FeMgPb2 # 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 3.717305655e+02 3.717305655e+02 1.30 3.454030898e+02 3.454030898e+02 1.32 3.210118617e+02 3.210118617e+02 1.34 2.984034324e+02 2.984034324e+02 1.36 2.774361224e+02 2.774361224e+02 1.38 2.579789350e+02 2.579789350e+02 1.40 2.399115347e+02 2.399115347e+02 1.42 2.231245764e+02 2.231245764e+02 1.44 2.075193477e+02 2.075193477e+02 1.46 1.930064973e+02 1.930064973e+02 1.48 1.795044915e+02 1.795044915e+02 1.50 1.669384481e+02 1.669384481e+02 1.52 1.552393902e+02 1.552393902e+02 1.54 1.443437004e+02 1.443437004e+02 1.56 1.341925302e+02 1.341925302e+02 1.58 1.247313125e+02 1.247313125e+02 1.60 1.159094517e+02 1.159094517e+02 1.62 1.076802667e+02 1.076802667e+02 1.64 1.000010240e+02 1.000010240e+02 1.66 9.283295122e+01 9.283295122e+01 1.68 8.614908394e+01 8.614908394e+01 1.70 7.992717898e+01 7.992717898e+01 1.72 7.413701239e+01 7.413701239e+01 1.74 6.875035734e+01 6.875035734e+01 1.76 6.374037225e+01 6.374037225e+01 1.78 5.908123616e+01 5.908123616e+01 1.80 5.474809442e+01 5.474809442e+01 1.82 5.071727233e+01 5.071727233e+01 1.84 4.696656341e+01 4.696656341e+01 1.86 4.347543625e+01 4.347543625e+01 1.88 4.022507480e+01 4.022507480e+01 1.90 3.719825680e+01 3.719825680e+01 1.92 3.437914288e+01 3.437914288e+01 1.94 3.175309581e+01 3.175309581e+01 1.96 2.930651375e+01 2.930651375e+01 1.98 2.702672033e+01 2.702672033e+01 2.00 2.490188795e+01 2.490188795e+01 2.02 2.292099736e+01 2.292099736e+01 2.04 2.107382718e+01 2.107382718e+01 2.06 1.935096287e+01 1.935096287e+01 2.08 1.774380419e+01 1.774380419e+01 2.10 1.624453672e+01 1.624453672e+01 2.12 1.484607362e+01 1.484607362e+01 2.14 1.354195361e+01 1.354195361e+01 2.16 1.232623213e+01 1.232623213e+01 2.18 1.119338222e+01 1.119338222e+01 2.20 1.013821679e+01 1.013821679e+01 2.22 9.155840272e+00 9.155840272e+00 2.24 8.241622821e+00 8.241622821e+00 2.26 7.391190679e+00 7.391190679e+00 2.28 6.600424042e+00 6.600424042e+00 2.30 5.865453662e+00 5.865453662e+00 2.32 5.182645488e+00 5.182645488e+00 2.34 4.548596434e+00 4.548596434e+00 2.36 3.960107368e+00 3.960107368e+00 2.38 3.414166819e+00 3.414166819e+00 2.40 2.907936421e+00 2.907936421e+00 2.42 2.438742838e+00 2.438742838e+00 2.44 2.004077057e+00 2.004077057e+00 2.46 1.601597493e+00 1.601597493e+00 2.48 1.229132736e+00 1.229132736e+00 2.50 8.846791266e-01 8.846791266e-01 2.52 5.663912462e-01 5.663912462e-01 2.54 2.725667111e-01 2.725667111e-01 2.56 1.628726832e-03 1.628726832e-03 2.58 -2.478902470e-01 -2.478902470e-01 2.60 -4.773618609e-01 -4.773618609e-01 2.62 -6.880708566e-01 -6.880708566e-01 2.64 -8.812273510e-01 -8.812273510e-01 2.66 -1.057964560e+00 -1.057964560e+00 2.68 -1.219348717e+00 -1.219348717e+00 2.70 -1.366383750e+00 -1.366383750e+00 2.72 -1.500007092e+00 -1.500007092e+00 2.74 -1.621095113e+00 -1.621095113e+00 2.76 -1.730468932e+00 -1.730468932e+00 2.78 -1.828897062e+00 -1.828897062e+00 2.80 -1.917101162e+00 -1.917101162e+00 2.82 -1.995756541e+00 -1.995756541e+00 2.84 -2.065498579e+00 -2.065498579e+00 2.86 -2.126925810e+00 -2.126925810e+00 2.88 -2.180584046e+00 -2.180584046e+00 2.90 -2.226920869e+00 -2.226920869e+00 2.92 -2.266354508e+00 -2.266354508e+00 2.94 -2.299292417e+00 -2.299292417e+00 2.96 -2.326129726e+00 -2.326129726e+00 2.98 -2.347247913e+00 -2.347247913e+00 3.00 -2.363013809e+00 -2.363013809e+00 3.02 -2.373779012e+00 -2.373779012e+00 3.04 -2.379878816e+00 -2.379878816e+00 3.06 -2.381673951e+00 -2.381673951e+00 3.08 -2.379514070e+00 -2.379514070e+00 3.10 -2.373596361e+00 -2.373596361e+00 3.12 -2.364120620e+00 -2.364120620e+00 3.14 -2.351300687e+00 -2.351300687e+00 3.16 -2.335356163e+00 -2.335356163e+00 3.18 -2.316517278e+00 -2.316517278e+00 3.20 -2.295018600e+00 -2.295018600e+00 3.22 -2.271071826e+00 -2.271071826e+00 3.24 -2.244892463e+00 -2.244892463e+00 3.26 -2.216705857e+00 -2.216705857e+00 3.28 -2.186724707e+00 -2.186724707e+00 3.30 -2.155169727e+00 -2.155169727e+00 3.32 -2.122265627e+00 -2.122265627e+00 3.34 -2.088236221e+00 -2.088236221e+00 3.36 -2.053299185e+00 -2.053299185e+00 3.38 -2.017660827e+00 -2.017660827e+00 3.40 -1.981511015e+00 -1.981511015e+00 3.42 -1.945020767e+00 -1.945020767e+00 3.44 -1.908327325e+00 -1.908327325e+00 3.46 -1.871537115e+00 -1.871537115e+00 3.48 -1.834738151e+00 -1.834738151e+00 3.50 -1.798001452e+00 -1.798001452e+00 3.52 -1.761382863e+00 -1.761382863e+00 3.54 -1.724925455e+00 -1.724925455e+00 3.56 -1.688662222e+00 -1.688662222e+00 3.58 -1.652618876e+00 -1.652618876e+00 3.60 -1.616816570e+00 -1.616816570e+00 3.62 -1.581274414e+00 -1.581274414e+00 3.64 -1.546011674e+00 -1.546011674e+00 3.66 -1.511049523e+00 -1.511049523e+00 3.68 -1.476412230e+00 -1.476412230e+00 3.70 -1.442127668e+00 -1.442127668e+00 3.72 -1.408227116e+00 -1.408227116e+00 3.74 -1.374744353e+00 -1.374744353e+00 3.76 -1.341714214e+00 -1.341714214e+00 3.78 -1.309170813e+00 -1.309170813e+00 3.80 -1.277145748e+00 -1.277145748e+00 3.82 -1.245666561e+00 -1.245666561e+00 3.84 -1.214755657e+00 -1.214755657e+00 3.86 -1.184429788e+00 -1.184429788e+00 3.88 -1.154700067e+00 -1.154700067e+00 3.90 -1.125572409e+00 -1.125572409e+00 3.92 -1.097047292e+00 -1.097047292e+00 3.94 -1.069124573e+00 -1.069124573e+00 3.96 -1.041798058e+00 -1.041798058e+00 3.98 -1.015060697e+00 -1.015060697e+00 4.00 -9.889040833e-01 -9.889040833e-01 4.02 -9.633189950e-01 -9.633189950e-01 4.04 -9.382958114e-01 -9.382958114e-01 4.06 -9.138248072e-01 -9.138248072e-01 4.08 -8.898963437e-01 -8.898963437e-01 4.10 -8.664985155e-01 -8.664985155e-01 4.12 -8.436274766e-01 -8.436274766e-01 4.14 -8.212712692e-01 -8.212712692e-01 4.16 -7.994211484e-01 -7.994211484e-01 4.18 -7.780685432e-01 -7.780685432e-01 4.20 -7.572050201e-01 -7.572050201e-01 4.22 -7.368222531e-01 -7.368222531e-01 4.24 -7.169120022e-01 -7.169120022e-01 4.26 -6.974661011e-01 -6.974661011e-01 4.28 -6.784764545e-01 -6.784764545e-01 4.30 -6.599350416e-01 -6.599350416e-01 4.32 -6.418339237e-01 -6.418339237e-01 4.34 -6.241652525e-01 -6.241652525e-01 4.36 -6.069212779e-01 -6.069212779e-01 4.38 -5.900943507e-01 -5.900943507e-01 4.40 -5.736769213e-01 -5.736769213e-01 4.42 -5.576615320e-01 -5.576615320e-01 4.44 -5.420408036e-01 -5.420408036e-01 4.46 -5.268074173e-01 -5.268074173e-01 4.48 -5.119540924e-01 -5.119540924e-01 4.50 -4.974735624e-01 -4.974735624e-01 4.52 -4.833585504e-01 -4.833585504e-01 4.54 -4.696017465e-01 -4.696017465e-01 4.56 -4.561957880e-01 -4.561957880e-01 4.58 -4.431332437e-01 -4.431332437e-01 4.60 -4.304066049e-01 -4.304066049e-01 4.62 -4.180082806e-01 -4.180082806e-01 4.64 -4.059305998e-01 -4.059305998e-01 4.66 -3.941658193e-01 -3.941658193e-01 4.68 -3.827061355e-01 -3.827061355e-01 4.70 -3.715437009e-01 -3.715437009e-01 4.72 -3.606706424e-01 -3.606706424e-01 4.74 -3.500790806e-01 -3.500790806e-01 4.76 -3.397611491e-01 -3.397611491e-01 4.78 -3.297090122e-01 -3.297090122e-01 4.80 -3.199131777e-01 -3.199131777e-01 4.82 -3.103695971e-01 -3.103695971e-01 4.84 -3.010685924e-01 -3.010685924e-01 4.86 -2.920025986e-01 -2.920025986e-01 4.88 -2.831641445e-01 -2.831641445e-01 4.90 -2.745458679e-01 -2.745458679e-01 4.92 -2.661405335e-01 -2.661405335e-01 4.94 -2.579410582e-01 -2.579410582e-01 4.96 -2.499405437e-01 -2.499405437e-01 4.98 -2.421323183e-01 -2.421323183e-01 5.00 -2.345099887e-01 -2.345099887e-01 5.02 -2.270675018e-01 -2.270675018e-01 5.04 -2.197992153e-01 -2.197992153e-01 5.06 -2.126999748e-01 -2.126999748e-01 5.08 -2.057651949e-01 -2.057651949e-01 5.10 -1.989909377e-01 -1.989909377e-01 5.12 -1.923739849e-01 -1.923739849e-01 5.14 -1.859118949e-01 -1.859118949e-01 5.16 -1.796030365e-01 -1.796030365e-01 5.18 -1.734465911e-01 -1.734465911e-01 5.20 -1.674425214e-01 -1.674425214e-01 5.22 -1.615914956e-01 -1.615914956e-01 5.24 -1.558947698e-01 -1.558947698e-01 5.26 -1.503540284e-01 -1.503540284e-01 5.28 -1.449711911e-01 -1.449711911e-01 5.30 -1.397481985e-01 -1.397481985e-01 5.32 -1.346867869e-01 -1.346867869e-01 5.34 -1.297882706e-01 -1.297882706e-01 5.36 -1.250533487e-01 -1.250533487e-01 5.38 -1.204819475e-01 -1.204819475e-01 5.40 -1.160731089e-01 -1.160731089e-01 5.42 -1.118249285e-01 -1.118249285e-01 5.44 -1.077345433e-01 -1.077345433e-01 5.46 -1.037981638e-01 -1.037981638e-01 5.48 -1.000111424e-01 -1.000111424e-01 5.50 -9.636806972e-02 -9.636806972e-02 5.52 -9.286282727e-02 -9.286282727e-02 5.54 -8.948856924e-02 -8.948856924e-02 5.56 -8.623839653e-02 -8.623839653e-02 5.58 -8.310515043e-02 -8.310515043e-02 5.60 -8.008148220e-02 -8.008148220e-02 5.62 -7.715996749e-02 -7.715996749e-02 5.64 -7.433320970e-02 -7.433320970e-02 5.66 -7.159393188e-02 -7.159393188e-02 5.68 -6.893505783e-02 -6.893505783e-02 5.70 -6.634978298e-02 -6.634978298e-02 5.72 -6.383163654e-02 -6.383163654e-02 5.74 -6.137453622e-02 -6.137453622e-02 5.76 -5.897283732e-02 -5.897283732e-02 5.78 -5.662137757e-02 -5.662137757e-02 5.80 -5.431551908e-02 -5.431551908e-02 5.82 -5.205118838e-02 -5.205118838e-02 5.84 -4.982491476e-02 -4.982491476e-02 5.86 -4.763386656e-02 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