# 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 = FePb2Pt # 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 3.868318182e+02 3.868318182e+02 1.30 3.605340457e+02 3.605340457e+02 1.32 3.360721642e+02 3.360721642e+02 1.34 3.133137758e+02 3.133137758e+02 1.36 2.921326508e+02 2.921326508e+02 1.38 2.724065051e+02 2.724065051e+02 1.40 2.540181335e+02 2.540181335e+02 1.42 2.368588130e+02 2.368588130e+02 1.44 2.208311464e+02 2.208311464e+02 1.46 2.058494430e+02 2.058494430e+02 1.48 1.918380037e+02 1.918380037e+02 1.50 1.787286645e+02 1.787286645e+02 1.52 1.664583292e+02 1.664583292e+02 1.54 1.549671159e+02 1.549671159e+02 1.56 1.441978736e+02 1.441978736e+02 1.58 1.340970297e+02 1.340970297e+02 1.60 1.246158546e+02 1.246158546e+02 1.62 1.157111779e+02 1.157111779e+02 1.64 1.073451767e+02 1.073451767e+02 1.66 9.948453309e+01 9.948453309e+01 1.68 9.209960005e+01 9.209960005e+01 1.70 8.516386260e+01 8.516386260e+01 1.72 7.866044392e+01 7.866044392e+01 1.74 7.262600130e+01 7.262600130e+01 1.76 6.704906265e+01 6.704906265e+01 1.78 6.189552236e+01 6.189552236e+01 1.80 5.713169508e+01 5.713169508e+01 1.82 5.272511371e+01 5.272511371e+01 1.84 4.864531076e+01 4.864531076e+01 1.86 4.486430144e+01 4.486430144e+01 1.88 4.135680838e+01 4.135680838e+01 1.90 3.810028973e+01 3.810028973e+01 1.92 3.507482952e+01 3.507482952e+01 1.94 3.226288055e+01 3.226288055e+01 1.96 2.964886544e+01 2.964886544e+01 1.98 2.721870897e+01 2.721870897e+01 2.00 2.495944073e+01 2.495944073e+01 2.02 2.285895941e+01 2.285895941e+01 2.04 2.090594592e+01 2.090594592e+01 2.06 1.908986033e+01 1.908986033e+01 2.08 1.740095764e+01 1.740095764e+01 2.10 1.583027423e+01 1.583027423e+01 2.12 1.436958555e+01 1.436958555e+01 2.14 1.301133583e+01 1.301133583e+01 2.16 1.174856290e+01 1.174856290e+01 2.18 1.057483383e+01 1.057483383e+01 2.20 9.484190431e+00 9.484190431e+00 2.22 8.471110846e+00 8.471110846e+00 2.24 7.530476022e+00 7.530476022e+00 2.26 6.657539653e+00 6.657539653e+00 2.28 5.847900424e+00 5.847900424e+00 2.30 5.097467554e+00 5.097467554e+00 2.32 4.402423947e+00 4.402423947e+00 2.34 3.759194648e+00 3.759194648e+00 2.36 3.164405544e+00 3.164405544e+00 2.38 2.614853405e+00 2.614853405e+00 2.40 2.107485634e+00 2.107485634e+00 2.42 1.639396284e+00 1.639396284e+00 2.44 1.207837109e+00 1.207837109e+00 2.46 8.098653526e-01 8.098653526e-01 2.48 4.420721764e-01 4.420721764e-01 2.50 1.025860106e-01 1.025860106e-01 2.52 -2.102326411e-01 -2.102326411e-01 2.54 -4.979197098e-01 -4.979197098e-01 2.56 -7.619327095e-01 -7.619327095e-01 2.58 -1.003670188e+00 -1.003670188e+00 2.60 -1.224479608e+00 -1.224479608e+00 2.62 -1.425653359e+00 -1.425653359e+00 2.64 -1.608424658e+00 -1.608424658e+00 2.66 -1.773951617e+00 -1.773951617e+00 2.68 -1.923317426e+00 -1.923317426e+00 2.70 -2.057528458e+00 -2.057528458e+00 2.72 -2.177517713e+00 -2.177517713e+00 2.74 -2.284150919e+00 -2.284150919e+00 2.76 -2.378234203e+00 -2.378234203e+00 2.78 -2.460522372e+00 -2.460522372e+00 2.80 -2.531728889e+00 -2.531728889e+00 2.82 -2.592535368e+00 -2.592535368e+00 2.84 -2.643599158e+00 -2.643599158e+00 2.86 -2.685560358e+00 -2.685560358e+00 2.88 -2.719055970e+00 -2.719055970e+00 2.90 -2.744728730e+00 -2.744728730e+00 2.92 -2.763233825e+00 -2.763233825e+00 2.94 -2.775241326e+00 -2.775241326e+00 2.96 -2.781432024e+00 -2.781432024e+00 2.98 -2.782485283e+00 -2.782485283e+00 3.00 -2.779059180e+00 -2.779059180e+00 3.02 -2.771732393e+00 -2.771732393e+00 3.04 -2.760969194e+00 -2.760969194e+00 3.06 -2.747165617e+00 -2.747165617e+00 3.08 -2.730644809e+00 -2.730644809e+00 3.10 -2.711663593e+00 -2.711663593e+00 3.12 -2.690422263e+00 -2.690422263e+00 3.14 -2.667086226e+00 -2.667086226e+00 3.16 -2.641792573e+00 -2.641792573e+00 3.18 -2.614669556e+00 -2.614669556e+00 3.20 -2.585843348e+00 -2.585843348e+00 3.22 -2.555457084e+00 -2.555457084e+00 3.24 -2.523759440e+00 -2.523759440e+00 3.26 -2.490883423e+00 -2.490883423e+00 3.28 -2.456931039e+00 -2.456931039e+00 3.30 -2.422007172e+00 -2.422007172e+00 3.32 -2.386220112e+00 -2.386220112e+00 3.34 -2.349681542e+00 -2.349681542e+00 3.36 -2.312505790e+00 -2.312505790e+00 3.38 -2.274807177e+00 -2.274807177e+00 3.40 -2.236684121e+00 -2.236684121e+00 3.42 -2.198223801e+00 -2.198223801e+00 3.44 -2.159512829e+00 -2.159512829e+00 3.46 -2.120635293e+00 -2.120635293e+00 3.48 -2.081669657e+00 -2.081669657e+00 3.50 -2.042686849e+00 -2.042686849e+00 3.52 -2.003749252e+00 -2.003749252e+00 3.54 -1.964910477e+00 -1.964910477e+00 3.56 -1.926215784e+00 -1.926215784e+00 3.58 -1.887702987e+00 -1.887702987e+00 3.60 -1.849403699e+00 -1.849403699e+00 3.62 -1.811344747e+00 -1.811344747e+00 3.64 -1.773549626e+00 -1.773549626e+00 3.66 -1.736039843e+00 -1.736039843e+00 3.68 -1.698836011e+00 -1.698836011e+00 3.70 -1.661958554e+00 -1.661958554e+00 3.72 -1.625427959e+00 -1.625427959e+00 3.74 -1.589264515e+00 -1.589264515e+00 3.76 -1.553487636e+00 -1.553487636e+00 3.78 -1.518114891e+00 -1.518114891e+00 3.80 -1.483160951e+00 -1.483160951e+00 3.82 -1.448636667e+00 -1.448636667e+00 3.84 -1.414548451e+00 -1.414548451e+00 3.86 -1.380898052e+00 -1.380898052e+00 3.88 -1.347682738e+00 -1.347682738e+00 3.90 -1.314895811e+00 -1.314895811e+00 3.92 -1.282526684e+00 -1.282526684e+00 3.94 -1.250564692e+00 -1.250564692e+00 3.96 -1.218995529e+00 -1.218995529e+00 3.98 -1.187805499e+00 -1.187805499e+00 4.00 -1.156981779e+00 -1.156981779e+00 4.02 -1.126513578e+00 -1.126513578e+00 4.04 -1.096393382e+00 -1.096393382e+00 4.06 -1.066618220e+00 -1.066618220e+00 4.08 -1.037190916e+00 -1.037190916e+00 4.10 -1.008119434e+00 -1.008119434e+00 4.12 -9.794249767e-01 -9.794249767e-01 4.14 -9.511307608e-01 -9.511307608e-01 4.16 -9.232697239e-01 -9.232697239e-01 4.18 -8.958812155e-01 -8.958812155e-01 4.20 -8.690090310e-01 -8.690090310e-01 4.22 -8.426987594e-01 -8.426987594e-01 4.24 -8.169946874e-01 -8.169946874e-01 4.26 -7.919366004e-01 -7.919366004e-01 4.28 -7.675568609e-01 -7.675568609e-01 4.30 -7.438781022e-01 -7.438781022e-01 4.32 -7.209117748e-01 -7.209117748e-01 4.34 -6.986576381e-01 -6.986576381e-01 4.36 -6.771041444e-01 -6.771041444e-01 4.38 -6.562295486e-01 -6.562295486e-01 4.40 -6.360035099e-01 -6.360035099e-01 4.42 -6.163889409e-01 -6.163889409e-01 4.44 -5.973438894e-01 -5.973438894e-01 4.46 -5.788232930e-01 -5.788232930e-01 4.48 -5.607805128e-01 -5.607805128e-01 4.50 -5.431686103e-01 -5.431686103e-01 4.52 -5.259413794e-01 -5.259413794e-01 4.54 -5.090541767e-01 -5.090541767e-01 4.56 -4.924646103e-01 -4.924646103e-01 4.58 -4.761331502e-01 -4.761331502e-01 4.60 -4.600237210e-01 -4.600237210e-01 4.62 -4.441043221e-01 -4.441043221e-01 4.64 -4.283477047e-01 -4.283477047e-01 4.66 -4.127321115e-01 -4.127321115e-01 4.68 -3.972420612e-01 -3.972420612e-01 4.70 -3.818691316e-01 -3.818691316e-01 4.72 -3.666126702e-01 -3.666126702e-01 4.74 -3.514803403e-01 -3.514803403e-01 4.76 -3.364883947e-01 -3.364883947e-01 4.78 -3.216615725e-01 -3.216615725e-01 4.80 -3.070310586e-01 -3.070310586e-01 4.82 -2.926395039e-01 -2.926395039e-01 4.84 -2.785298751e-01 -2.785298751e-01 4.86 -2.647500431e-01 -2.647500431e-01 4.88 -2.513486636e-01 -2.513486636e-01 4.90 -2.383726685e-01 -2.383726685e-01 4.92 -2.258648386e-01 -2.258648386e-01 4.94 -2.138616761e-01 -2.138616761e-01 4.96 -2.023917546e-01 -2.023917546e-01 4.98 -1.914746704e-01 -1.914746704e-01 5.00 -1.811206414e-01 -1.811206414e-01 5.02 -1.713307284e-01 -1.713307284e-01 5.04 -1.620975884e-01 -1.620975884e-01 5.06 -1.534066314e-01 -1.534066314e-01 5.08 -1.452374313e-01 -1.452374313e-01 5.10 -1.375652456e-01 -1.375652456e-01 5.12 -1.303625171e-01 -1.303625171e-01 5.14 -1.236002555e-01 -1.236002555e-01 5.16 -1.172492270e-01 -1.172492270e-01 5.18 -1.112809266e-01 -1.112809266e-01 5.20 -1.056683013e-01 -1.056683013e-01 5.22 -1.003862374e-01 -1.003862374e-01 5.24 -9.541181882e-02 -9.541181882e-02 5.26 -9.072439874e-02 -9.072439874e-02 5.28 -8.630551758e-02 -8.630551758e-02 5.30 -8.213870375e-02 -8.213870375e-02 5.32 -7.820919765e-02 -7.820919765e-02 5.34 -7.450331060e-02 -7.450331060e-02 5.36 -7.100806972e-02 -7.100806972e-02 5.38 -6.771251488e-02 -6.771251488e-02 5.40 -6.460608591e-02 -6.460608591e-02 5.42 -6.167838917e-02 -6.167838917e-02 5.44 -5.891911042e-02 -5.891911042e-02 5.46 -5.631797539e-02 -5.631797539e-02 5.48 -5.386475277e-02 -5.386475277e-02 5.50 -5.154929045e-02 -5.154929045e-02 5.52 -4.936157449e-02 -4.936157449e-02 5.54 -4.729179991e-02 -4.729179991e-02 5.56 -4.533044423e-02 -4.533044423e-02 5.58 -4.346833636e-02 -4.346833636e-02 5.60 -4.169671612e-02 -4.169671612e-02 5.62 -4.000728172e-02 -4.000728172e-02 5.64 -3.839222433e-02 -3.839222433e-02 5.66 -3.684425056e-02 -3.684425056e-02 5.68 -3.535659450e-02 -3.535659450e-02 5.70 -3.392302134e-02 -3.392302134e-02 5.72 -3.253782518e-02 -3.253782518e-02 5.74 -3.119582316e-02 -3.119582316e-02 5.76 -2.989234809e-02 -2.989234809e-02 5.78 -2.862324113e-02 -2.862324113e-02 5.80 -2.738484567e-02 -2.738484567e-02 5.82 -2.617400316e-02 -2.617400316e-02 5.84 -2.498805094e-02 -2.498805094e-02 5.86 -2.382482159e-02 -2.382482159e-02 5.88 -2.268264298e-02 -2.268264298e-02 5.90 -2.156033743e-02 -2.156033743e-02 5.92 -2.045721842e-02 -2.045721842e-02 5.94 -1.937308236e-02 -1.937308236e-02 5.96 -1.830819322e-02 -1.830819322e-02 5.98 -1.726326088e-02 -1.726326088e-02 6.00 -1.623940563e-02 -1.623940563e-02