# 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 = Ag2NiW # 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 2.830184584e+02 2.830184584e+02 1.30 2.614355178e+02 2.614355178e+02 1.32 2.415134853e+02 2.415134853e+02 1.34 2.231149757e+02 2.231149757e+02 1.36 2.061140795e+02 2.061140795e+02 1.38 1.903959796e+02 1.903959796e+02 1.40 1.758563812e+02 1.758563812e+02 1.42 1.624007870e+02 1.624007870e+02 1.44 1.499434930e+02 1.499434930e+02 1.46 1.384063422e+02 1.384063422e+02 1.48 1.277177128e+02 1.277177128e+02 1.50 1.178120684e+02 1.178120684e+02 1.52 1.086298251e+02 1.086298251e+02 1.54 1.001170645e+02 1.001170645e+02 1.56 9.222490676e+01 9.222490676e+01 1.58 8.490871614e+01 8.490871614e+01 1.60 7.812738503e+01 7.812738503e+01 1.62 7.184280559e+01 7.184280559e+01 1.64 6.601946716e+01 6.601946716e+01 1.66 6.062409827e+01 6.062409827e+01 1.68 5.562545323e+01 5.562545323e+01 1.70 5.099465296e+01 5.099465296e+01 1.72 4.670409876e+01 4.670409876e+01 1.74 4.272784925e+01 4.272784925e+01 1.76 3.904180631e+01 3.904180631e+01 1.78 3.562534767e+01 3.562534767e+01 1.80 3.246038555e+01 3.246038555e+01 1.82 2.952844971e+01 2.952844971e+01 1.84 2.681288949e+01 2.681288949e+01 1.86 2.429869507e+01 2.429869507e+01 1.88 2.197222534e+01 2.197222534e+01 1.90 1.982091374e+01 1.982091374e+01 1.92 1.783300404e+01 1.783300404e+01 1.94 1.599735519e+01 1.599735519e+01 1.96 1.430333630e+01 1.430333630e+01 1.98 1.274080578e+01 1.274080578e+01 2.00 1.130014234e+01 1.130014234e+01 2.02 9.972284205e+00 9.972284205e+00 2.04 8.748741530e+00 8.748741530e+00 2.06 7.621570027e+00 7.621570027e+00 2.08 6.583318530e+00 6.583318530e+00 2.10 5.626979060e+00 5.626979060e+00 2.12 4.745965106e+00 4.745965106e+00 2.14 3.934126094e+00 3.934126094e+00 2.16 3.185785817e+00 3.185785817e+00 2.18 2.495781504e+00 2.495781504e+00 2.20 1.859481717e+00 1.859481717e+00 2.22 1.272772020e+00 1.272772020e+00 2.24 7.320512273e-01 7.320512273e-01 2.26 2.341592711e-01 2.341592711e-01 2.28 -2.239498519e-01 -2.239498519e-01 2.30 -6.450203636e-01 -6.450203636e-01 2.32 -1.031546492e+00 -1.031546492e+00 2.34 -1.385830664e+00 -1.385830664e+00 2.36 -1.710020559e+00 -1.710020559e+00 2.38 -2.006073128e+00 -2.006073128e+00 2.40 -2.275555803e+00 -2.275555803e+00 2.42 -2.519913541e+00 -2.519913541e+00 2.44 -2.740562555e+00 -2.740562555e+00 2.46 -2.938877090e+00 -2.938877090e+00 2.48 -3.116187333e+00 -3.116187333e+00 2.50 -3.273782047e+00 -3.273782047e+00 2.52 -3.412912205e+00 -3.412912205e+00 2.54 -3.534794485e+00 -3.534794485e+00 2.56 -3.640614506e+00 -3.640614506e+00 2.58 -3.731529686e+00 -3.731529686e+00 2.60 -3.808665647e+00 -3.808665647e+00 2.62 -3.873113160e+00 -3.873113160e+00 2.64 -3.925916946e+00 -3.925916946e+00 2.66 -3.968059867e+00 -3.968059867e+00 2.68 -4.000449076e+00 -4.000449076e+00 2.70 -4.023908885e+00 -4.023908885e+00 2.72 -4.039125246e+00 -4.039125246e+00 2.74 -4.046538956e+00 -4.046538956e+00 2.76 -4.046530719e+00 -4.046530719e+00 2.78 -4.039466847e+00 -4.039466847e+00 2.80 -4.025700050e+00 -4.025700050e+00 2.82 -4.005569805e+00 -4.005569805e+00 2.84 -3.979403968e+00 -3.979403968e+00 2.86 -3.947522901e+00 -3.947522901e+00 2.88 -3.910246382e+00 -3.910246382e+00 2.90 -3.867902536e+00 -3.867902536e+00 2.92 -3.820837365e+00 -3.820837365e+00 2.94 -3.769432022e+00 -3.769432022e+00 2.96 -3.714285650e+00 -3.714285650e+00 2.98 -3.655740449e+00 -3.655740449e+00 3.00 -3.594061317e+00 -3.594061317e+00 3.02 -3.529572157e+00 -3.529572157e+00 3.04 -3.462636836e+00 -3.462636836e+00 3.06 -3.393637255e+00 -3.393637255e+00 3.08 -3.322950321e+00 -3.322950321e+00 3.10 -3.250927066e+00 -3.250927066e+00 3.12 -3.177888135e+00 -3.177888135e+00 3.14 -3.104106119e+00 -3.104106119e+00 3.16 -3.029786353e+00 -3.029786353e+00 3.18 -2.955068086e+00 -2.955068086e+00 3.20 -2.880031816e+00 -2.880031816e+00 3.22 -2.804710828e+00 -2.804710828e+00 3.24 -2.729105170e+00 -2.729105170e+00 3.26 -2.653196519e+00 -2.653196519e+00 3.28 -2.576962764e+00 -2.576962764e+00 3.30 -2.500391516e+00 -2.500391516e+00 3.32 -2.423491994e+00 -2.423491994e+00 3.34 -2.346304922e+00 -2.346304922e+00 3.36 -2.268910014e+00 -2.268910014e+00 3.38 -2.191430678e+00 -2.191430678e+00 3.40 -2.114035505e+00 -2.114035505e+00 3.42 -2.036936278e+00 -2.036936278e+00 3.44 -1.960382366e+00 -1.960382366e+00 3.46 -1.884651741e+00 -1.884651741e+00 3.48 -1.810039209e+00 -1.810039209e+00 3.50 -1.736842813e+00 -1.736842813e+00 3.52 -1.665349641e+00 -1.665349641e+00 3.54 -1.595822368e+00 -1.595822368e+00 3.56 -1.528487786e+00 -1.528487786e+00 3.58 -1.463528254e+00 -1.463528254e+00 3.60 -1.401076648e+00 -1.401076648e+00 3.62 -1.341214895e+00 -1.341214895e+00 3.64 -1.283975798e+00 -1.283975798e+00 3.66 -1.229347582e+00 -1.229347582e+00 3.68 -1.177280391e+00 -1.177280391e+00 3.70 -1.127693965e+00 -1.127693965e+00 3.72 -1.080485780e+00 -1.080485780e+00 3.74 -1.035539027e+00 -1.035539027e+00 3.76 -9.927299734e-01 -9.927299734e-01 3.78 -9.519343233e-01 -9.519343233e-01 3.80 -9.130323225e-01 -9.130323225e-01 3.82 -8.759124248e-01 -8.759124248e-01 3.84 -8.404734243e-01 -8.404734243e-01 3.86 -8.066250682e-01 -8.066250682e-01 3.88 -7.742872943e-01 -7.742872943e-01 3.90 -7.433883821e-01 -7.433883821e-01 3.92 -7.138624321e-01 -7.138624321e-01 3.94 -6.856466595e-01 -6.856466595e-01 3.96 -6.586789539e-01 -6.586789539e-01 3.98 -6.328960777e-01 -6.328960777e-01 4.00 -6.082326800e-01 -6.082326800e-01 4.02 -5.846211424e-01 -5.846211424e-01 4.04 -5.619921216e-01 -5.619921216e-01 4.06 -5.402755725e-01 -5.402755725e-01 4.08 -5.194020209e-01 -5.194020209e-01 4.10 -4.993038868e-01 -4.993038868e-01 4.12 -4.799167348e-01 -4.799167348e-01 4.14 -4.611803421e-01 -4.611803421e-01 4.16 -4.430396064e-01 -4.430396064e-01 4.18 -4.254452597e-01 -4.254452597e-01 4.20 -4.083544162e-01 -4.083544162e-01 4.22 -3.917309596e-01 -3.917309596e-01 4.24 -3.755457703e-01 -3.755457703e-01 4.26 -3.597767777e-01 -3.597767777e-01 4.28 -3.444088202e-01 -3.444088202e-01 4.30 -3.294332990e-01 -3.294332990e-01 4.32 -3.148476228e-01 -3.148476228e-01 4.34 -3.006544578e-01 -3.006544578e-01 4.36 -2.868608188e-01 -2.868608188e-01 4.38 -2.734770432e-01 -2.734770432e-01 4.40 -2.605156975e-01 -2.605156975e-01 4.42 -2.479904529e-01 -2.479904529e-01 4.44 -2.359149604e-01 -2.359149604e-01 4.46 -2.243017419e-01 -2.243017419e-01 4.48 -2.131611174e-01 -2.131611174e-01 4.50 -2.025002005e-01 -2.025002005e-01 4.52 -1.923220107e-01 -1.923220107e-01 4.54 -1.826247699e-01 -1.826247699e-01 4.56 -1.734014492e-01 -1.734014492e-01 4.58 -1.646396258e-01 -1.646396258e-01 4.60 -1.563216664e-01 -1.563216664e-01 4.62 -1.484252355e-01 -1.484252355e-01 4.64 -1.409240739e-01 -1.409240739e-01 4.66 -1.337889498e-01 -1.337889498e-01 4.68 -1.269882226e-01 -1.269882226e-01 4.70 -1.204902245e-01 -1.204902245e-01 4.72 -1.142637390e-01 -1.142637390e-01 4.74 -1.082785697e-01 -1.082785697e-01 4.76 -1.025064690e-01 -1.025064690e-01 4.78 -9.692190582e-02 -9.692190582e-02 4.80 -9.150268036e-02 -9.150268036e-02 4.82 -8.623040184e-02 -8.623040184e-02 4.84 -8.109082069e-02 -8.109082069e-02 4.86 -7.607404074e-02 -7.607404074e-02 4.88 -7.117458690e-02 -7.117458690e-02 4.90 -6.639132546e-02 -6.639132546e-02 4.92 -6.172722306e-02 -6.172722306e-02 4.94 -5.718893520e-02 -5.718893520e-02 4.96 -5.278622408e-02 -5.278622408e-02 4.98 -4.853121960e-02 -4.853121960e-02 5.00 -4.443755406e-02 -4.443755406e-02 5.02 -4.051941839e-02 -4.051941839e-02 5.04 -3.679060097e-02 -3.679060097e-02 5.06 -3.326357746e-02 -3.326357746e-02 5.08 -2.994871822e-02 -2.994871822e-02 5.10 -2.685366852e-02 -2.685366852e-02 5.12 -2.398293853e-02 -2.398293853e-02 5.14 -2.133772096e-02 -2.133772096e-02 5.16 -1.891592480e-02 -1.891592480e-02 5.18 -1.671239835e-02 -1.671239835e-02 5.20 -1.471915105e-02 -1.471915105e-02 5.22 -1.292588914e-02 -1.292588914e-02 5.24 -1.132108909e-02 -1.132108909e-02 5.26 -9.891960599e-03 -9.891960599e-03 5.28 -8.624945633e-03 -8.624945633e-03 5.30 -7.506184567e-03 -7.506184567e-03 5.32 -6.521906324e-03 -6.521906324e-03 5.34 -5.658737937e-03 -5.658737937e-03 5.36 -4.903935963e-03 -4.903935963e-03 5.38 -4.245546872e-03 -4.245546872e-03 5.40 -3.672506257e-03 -3.672506257e-03 5.42 -3.174687706e-03 -3.174687706e-03 5.44 -2.742912119e-03 -2.742912119e-03 5.46 -2.368927342e-03 -2.368927342e-03 5.48 -2.045366719e-03 -2.045366719e-03 5.50 -1.765693727e-03 -1.765693727e-03 5.52 -1.524138406e-03 -1.524138406e-03 5.54 -1.315630015e-03 -1.315630015e-03 5.56 -1.135729162e-03 -1.135729162e-03 5.58 -9.805617394e-04 -9.805617394e-04 5.60 -8.467562226e-04 -8.467562226e-04 5.62 -7.313852835e-04 -7.313852835e-04 5.64 -6.319122383e-04 -6.319122383e-04 5.66 -5.461425129e-04 -5.461425129e-04 5.68 -4.721800794e-04 -4.721800794e-04 5.70 -4.083886655e-04 -4.083886655e-04 5.72 -3.533574397e-04 -3.533574397e-04 5.74 -3.058708199e-04 -3.058708199e-04 5.76 -2.648820304e-04 -2.648820304e-04 5.78 -2.294900306e-04 -2.294900306e-04 5.80 -1.989194480e-04 -1.989194480e-04 5.82 -1.725031708e-04 -1.725031708e-04 5.84 -1.496672807e-04 -1.496672807e-04 5.86 -1.299180360e-04 -1.299180360e-04 5.88 -1.128306410e-04 -1.128306410e-04 5.90 -9.803957113e-05 -9.803957113e-05 5.92 -8.523024410e-05 -8.523024410e-05 5.94 -7.413185751e-05 -7.413185751e-05 5.96 -6.451123215e-05 -6.451123215e-05 5.98 -5.616752290e-05 -5.616752290e-05 6.00 -4.892767628e-05 -4.892767628e-05