# 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 = FeMo2Zr # 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 3.003446055e+02 3.003446055e+02 1.30 2.772942391e+02 2.772942391e+02 1.32 2.560251424e+02 2.560251424e+02 1.34 2.363787799e+02 2.363787799e+02 1.36 2.182100942e+02 2.182100942e+02 1.38 2.013888742e+02 2.013888742e+02 1.40 1.858005152e+02 1.858005152e+02 1.42 1.713451461e+02 1.713451461e+02 1.44 1.579355529e+02 1.579355529e+02 1.46 1.454948709e+02 1.454948709e+02 1.48 1.339545918e+02 1.339545918e+02 1.50 1.232528577e+02 1.232528577e+02 1.52 1.133330799e+02 1.133330799e+02 1.54 1.041429391e+02 1.041429391e+02 1.56 9.563384352e+01 9.563384352e+01 1.58 8.776060805e+01 8.776060805e+01 1.60 8.048098804e+01 8.048098804e+01 1.62 7.375493964e+01 7.375493964e+01 1.64 6.754387053e+01 6.754387053e+01 1.66 6.181017222e+01 6.181017222e+01 1.68 5.651717000e+01 5.651717000e+01 1.70 5.162947352e+01 5.162947352e+01 1.72 4.711342210e+01 4.711342210e+01 1.74 4.293749360e+01 4.293749360e+01 1.76 3.907256864e+01 3.907256864e+01 1.78 3.549207784e+01 3.549207784e+01 1.80 3.217202696e+01 3.217202696e+01 1.82 2.909096633e+01 2.909096633e+01 1.84 2.622989677e+01 2.622989677e+01 1.86 2.357267482e+01 2.357267482e+01 1.88 2.110601153e+01 2.110601153e+01 1.90 1.882074800e+01 1.882074800e+01 1.92 1.670553425e+01 1.670553425e+01 1.94 1.474978360e+01 1.474978360e+01 1.96 1.294353016e+01 1.294353016e+01 1.98 1.127717065e+01 1.127717065e+01 2.00 9.741349577e+00 9.741349577e+00 2.02 8.326932160e+00 8.326932160e+00 2.04 7.025021494e+00 7.025021494e+00 2.06 5.826990242e+00 5.826990242e+00 2.08 4.724514518e+00 4.724514518e+00 2.10 3.709632864e+00 3.709632864e+00 2.12 2.774828726e+00 2.774828726e+00 2.14 1.913131179e+00 1.913131179e+00 2.16 1.118218283e+00 1.118218283e+00 2.18 3.844712174e-01 3.844712174e-01 2.20 -2.930286853e-01 -2.930286853e-01 2.22 -9.185736863e-01 -9.185736863e-01 2.24 -1.495927125e+00 -1.495927125e+00 2.26 -2.028418034e+00 -2.028418034e+00 2.28 -2.519028963e+00 -2.519028963e+00 2.30 -2.970436212e+00 -2.970436212e+00 2.32 -3.385081741e+00 -3.385081741e+00 2.34 -3.765191361e+00 -3.765191361e+00 2.36 -4.112826814e+00 -4.112826814e+00 2.38 -4.429912972e+00 -4.429912972e+00 2.40 -4.718262838e+00 -4.718262838e+00 2.42 -4.979600676e+00 -4.979600676e+00 2.44 -5.215572207e+00 -5.215572207e+00 2.46 -5.427755501e+00 -5.427755501e+00 2.48 -5.617659704e+00 -5.617659704e+00 2.50 -5.786718099e+00 -5.786718099e+00 2.52 -5.936277814e+00 -5.936277814e+00 2.54 -6.067589635e+00 -6.067589635e+00 2.56 -6.181800733e+00 -6.181800733e+00 2.58 -6.279952867e+00 -6.279952867e+00 2.60 -6.362987811e+00 -6.362987811e+00 2.62 -6.431758586e+00 -6.431758586e+00 2.64 -6.487114084e+00 -6.487114084e+00 2.66 -6.529756593e+00 -6.529756593e+00 2.68 -6.560311917e+00 -6.560311917e+00 2.70 -6.579253089e+00 -6.579253089e+00 2.72 -6.587083395e+00 -6.587083395e+00 2.74 -6.584652968e+00 -6.584652968e+00 2.76 -6.572781775e+00 -6.572781775e+00 2.78 -6.552249967e+00 -6.552249967e+00 2.80 -6.523701058e+00 -6.523701058e+00 2.82 -6.487658552e+00 -6.487658552e+00 2.84 -6.444665541e+00 -6.444665541e+00 2.86 -6.395164138e+00 -6.395164138e+00 2.88 -6.339166024e+00 -6.339166024e+00 2.90 -6.276673052e+00 -6.276673052e+00 2.92 -6.207795356e+00 -6.207795356e+00 2.94 -6.132741553e+00 -6.132741553e+00 2.96 -6.051805588e+00 -6.051805588e+00 2.98 -5.965349731e+00 -5.965349731e+00 3.00 -5.873784032e+00 -5.873784032e+00 3.02 -5.777545804e+00 -5.777545804e+00 3.04 -5.677071215e+00 -5.677071215e+00 3.06 -5.572779028e+00 -5.572779028e+00 3.08 -5.465049194e+00 -5.465049194e+00 3.10 -5.354221760e+00 -5.354221760e+00 3.12 -5.240589126e+00 -5.240589126e+00 3.14 -5.124413216e+00 -5.124413216e+00 3.16 -5.005914554e+00 -5.005914554e+00 3.18 -4.885270782e+00 -4.885270782e+00 3.20 -4.762514457e+00 -4.762514457e+00 3.22 -4.637662994e+00 -4.637662994e+00 3.24 -4.510781020e+00 -4.510781020e+00 3.26 -4.381991978e+00 -4.381991978e+00 3.28 -4.251486313e+00 -4.251486313e+00 3.30 -4.119524991e+00 -4.119524991e+00 3.32 -3.986437817e+00 -3.986437817e+00 3.34 -3.852617117e+00 -3.852617117e+00 3.36 -3.718508397e+00 -3.718508397e+00 3.38 -3.584599959e+00 -3.584599959e+00 3.40 -3.451411750e+00 -3.451411750e+00 3.42 -3.319490374e+00 -3.319490374e+00 3.44 -3.189391747e+00 -3.189391747e+00 3.46 -3.061674250e+00 -3.061674250e+00 3.48 -2.936882523e+00 -2.936882523e+00 3.50 -2.815530050e+00 -2.815530050e+00 3.52 -2.698080533e+00 -2.698080533e+00 3.54 -2.584930207e+00 -2.584930207e+00 3.56 -2.476393347e+00 -2.476393347e+00 3.58 -2.372692772e+00 -2.372692772e+00 3.60 -2.273956283e+00 -2.273956283e+00 3.62 -2.180219080e+00 -2.180219080e+00 3.64 -2.091431397e+00 -2.091431397e+00 3.66 -2.007470108e+00 -2.007470108e+00 3.68 -1.928152804e+00 -1.928152804e+00 3.70 -1.853252956e+00 -1.853252956e+00 3.72 -1.782514918e+00 -1.782514918e+00 3.74 -1.715667903e+00 -1.715667903e+00 3.76 -1.652438262e+00 -1.652438262e+00 3.78 -1.592559699e+00 -1.592559699e+00 3.80 -1.535781138e+00 -1.535781138e+00 3.82 -1.481872133e+00 -1.481872133e+00 3.84 -1.430625739e+00 -1.430625739e+00 3.86 -1.381858943e+00 -1.381858943e+00 3.88 -1.335410927e+00 -1.335410927e+00 3.90 -1.291139661e+00 -1.291139661e+00 3.92 -1.248915808e+00 -1.248915808e+00 3.94 -1.208625684e+00 -1.208625684e+00 3.96 -1.170155751e+00 -1.170155751e+00 3.98 -1.133398240e+00 -1.133398240e+00 4.00 -1.098247660e+00 -1.098247660e+00 4.02 -1.064600696e+00 -1.064600696e+00 4.04 -1.032356958e+00 -1.032356958e+00 4.06 -1.001420145e+00 -1.001420145e+00 4.08 -9.716992437e-01 -9.716992437e-01 4.10 -9.431040780e-01 -9.431040780e-01 4.12 -9.155686540e-01 -9.155686540e-01 4.14 -8.890152318e-01 -8.890152318e-01 4.16 -8.633803293e-01 -8.633803293e-01 4.18 -8.386071339e-01 -8.386071339e-01 4.20 -8.146448654e-01 -8.146448654e-01 4.22 -7.914482502e-01 -7.914482502e-01 4.24 -7.689769326e-01 -7.689769326e-01 4.26 -7.471948790e-01 -7.471948790e-01 4.28 -7.260698124e-01 -7.260698124e-01 4.30 -7.055726945e-01 -7.055726945e-01 4.32 -6.856772664e-01 -6.856772664e-01 4.34 -6.663596470e-01 -6.663596470e-01 4.36 -6.475979882e-01 -6.475979882e-01 4.38 -6.293721809e-01 -6.293721809e-01 4.40 -6.116636065e-01 -6.116636065e-01 4.42 -5.944549277e-01 -5.944549277e-01 4.44 -5.777299132e-01 -5.777299132e-01 4.46 -5.614732909e-01 -5.614732909e-01 4.48 -5.456706242e-01 -5.456706242e-01 4.50 -5.303082098e-01 -5.303082098e-01 4.52 -5.153729905e-01 -5.153729905e-01 4.54 -5.008524827e-01 -5.008524827e-01 4.56 -4.867347148e-01 -4.867347148e-01 4.58 -4.730081755e-01 -4.730081755e-01 4.60 -4.596617690e-01 -4.596617690e-01 4.62 -4.466847770e-01 -4.466847770e-01 4.64 -4.340668258e-01 -4.340668258e-01 4.66 -4.217978578e-01 -4.217978578e-01 4.68 -4.098681059e-01 -4.098681059e-01 4.70 -3.982680711e-01 -3.982680711e-01 4.72 -3.869885024e-01 -3.869885024e-01 4.74 -3.760203782e-01 -3.760203782e-01 4.76 -3.653548890e-01 -3.653548890e-01 4.78 -3.549834221e-01 -3.549834221e-01 4.80 -3.448943691e-01 -3.448943691e-01 4.82 -3.350863597e-01 -3.350863597e-01 4.84 -3.255474692e-01 -3.255474692e-01 4.86 -3.162697415e-01 -3.162697415e-01 4.88 -3.072453431e-01 -3.072453431e-01 4.90 -2.984665509e-01 -2.984665509e-01 4.92 -2.899257400e-01 -2.899257400e-01 4.94 -2.816153720e-01 -2.816153720e-01 4.96 -2.735279837e-01 -2.735279837e-01 4.98 -2.656561769e-01 -2.656561769e-01 5.00 -2.579926095e-01 -2.579926095e-01 5.02 -2.505299886e-01 -2.505299886e-01 5.04 -2.432610656e-01 -2.432610656e-01 5.06 -2.361786355e-01 -2.361786355e-01 5.08 -2.292755405e-01 -2.292755405e-01 5.10 -2.225446791e-01 -2.225446791e-01 5.12 -2.159790229e-01 -2.159790229e-01 5.14 -2.095716417e-01 -2.095716417e-01 5.16 -2.033157402e-01 -2.033157402e-01 5.18 -1.972047056e-01 -1.972047056e-01 5.20 -1.912321703e-01 -1.912321703e-01 5.22 -1.853920884e-01 -1.853920884e-01 5.24 -1.796788268e-01 -1.796788268e-01 5.26 -1.740872709e-01 -1.740872709e-01 5.28 -1.686129400e-01 -1.686129400e-01 5.30 -1.632521083e-01 -1.632521083e-01 5.32 -1.580019247e-01 -1.580019247e-01 5.34 -1.528605193e-01 -1.528605193e-01 5.36 -1.478270855e-01 -1.478270855e-01 5.38 -1.429019235e-01 -1.429019235e-01 5.40 -1.380864316e-01 -1.380864316e-01 5.42 -1.333830331e-01 -1.333830331e-01 5.44 -1.287950328e-01 -1.287950328e-01 5.46 -1.243264029e-01 -1.243264029e-01 5.48 -1.199815049e-01 -1.199815049e-01 5.50 -1.157647670e-01 -1.157647670e-01 5.52 -1.116803408e-01 -1.116803408e-01 5.54 -1.077317652e-01 -1.077317652e-01 5.56 -1.039216681e-01 -1.039216681e-01 5.58 -1.002515305e-01 -1.002515305e-01 5.60 -9.672134958e-02 -9.672134958e-02 5.62 -9.332984695e-02 -9.332984695e-02 5.64 -9.007466190e-02 -9.007466190e-02 5.66 -8.695212119e-02 -8.695212119e-02 5.68 -8.395740369e-02 -8.395740369e-02 5.70 -8.108474284e-02 -8.108474284e-02 5.72 -7.832764438e-02 -7.832764438e-02 5.74 -7.567910112e-02 -7.567910112e-02 5.76 -7.313179098e-02 -7.313179098e-02 5.78 -7.067824934e-02 -7.067824934e-02 5.80 -6.831101132e-02 -6.831101132e-02 5.82 -6.602272363e-02 -6.602272363e-02 5.84 -6.380622798e-02 -6.380622798e-02 5.86 -6.165462014e-02 -6.165462014e-02 5.88 -5.956128957e-02 -5.956128957e-02 5.90 -5.751994489e-02 -5.751994489e-02 5.92 -5.552463031e-02 -5.552463031e-02 5.94 -5.356973766e-02 -5.356973766e-02 5.96 -5.165001803e-02 -5.165001803e-02 5.98 -4.976059655e-02 -4.976059655e-02 6.00 -4.789699438e-02 -4.789699438e-02