# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = CrMn2Ni # 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 2024-11-27 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 2.885450551e+03 2.885450551e+03 1.02 2.637631507e+03 2.637631507e+03 1.04 2.410874964e+03 2.410874964e+03 1.06 2.202914388e+03 2.202914388e+03 1.08 2.011827520e+03 2.011827520e+03 1.10 1.836041331e+03 1.836041331e+03 1.12 1.674164622e+03 1.674164622e+03 1.14 1.524974461e+03 1.524974461e+03 1.16 1.387369568e+03 1.387369568e+03 1.18 1.260200257e+03 1.260200257e+03 1.20 1.142438676e+03 1.142438676e+03 1.22 1.033235121e+03 1.033235121e+03 1.24 9.318213612e+02 9.318213612e+02 1.26 8.376188637e+02 8.376188637e+02 1.28 7.501481531e+02 7.501481531e+02 1.30 6.688639941e+02 6.688639941e+02 1.32 5.932880885e+02 5.932880885e+02 1.34 5.229551211e+02 5.229551211e+02 1.36 4.574482070e+02 4.574482070e+02 1.38 3.964628960e+02 3.964628960e+02 1.40 3.397167190e+02 3.397167190e+02 1.42 2.869609934e+02 2.869609934e+02 1.44 2.381553838e+02 2.381553838e+02 1.46 1.961363648e+02 1.961363648e+02 1.48 1.621056086e+02 1.621056086e+02 1.50 1.343915213e+02 1.343915213e+02 1.52 1.116870220e+02 1.116870220e+02 1.54 9.297565385e+01 9.297565385e+01 1.56 7.748401546e+01 7.748401546e+01 1.58 6.461561969e+01 6.461561969e+01 1.60 5.388320262e+01 5.388320262e+01 1.62 4.489386698e+01 4.489386698e+01 1.64 3.734255938e+01 3.734255938e+01 1.66 3.098440541e+01 3.098440541e+01 1.68 2.561799991e+01 2.561799991e+01 1.70 2.107719011e+01 2.107719011e+01 1.72 1.722439152e+01 1.722439152e+01 1.74 1.394709608e+01 1.394709608e+01 1.76 1.115960847e+01 1.115960847e+01 1.78 8.799623567e+00 8.799623567e+00 1.80 6.814655790e+00 6.814655790e+00 1.82 5.158120956e+00 5.158120956e+00 1.84 3.786278103e+00 3.786278103e+00 1.86 2.657322893e+00 2.657322893e+00 1.88 1.732926963e+00 1.732926963e+00 1.90 9.786109633e-01 9.786109633e-01 1.92 3.634287611e-01 3.634287611e-01 1.94 -1.396361636e-01 -1.396361636e-01 1.96 -5.541818992e-01 -5.541818992e-01 1.98 -9.024789980e-01 -9.024789980e-01 2.00 -1.205205755e+00 -1.205205755e+00 2.02 -1.478168831e+00 -1.478168831e+00 2.04 -1.727362641e+00 -1.727362641e+00 2.06 -1.955858195e+00 -1.955858195e+00 2.08 -2.166203115e+00 -2.166203115e+00 2.10 -2.360299606e+00 -2.360299606e+00 2.12 -2.539270071e+00 -2.539270071e+00 2.14 -2.702844912e+00 -2.702844912e+00 2.16 -2.849994641e+00 -2.849994641e+00 2.18 -2.979650571e+00 -2.979650571e+00 2.20 -3.091423851e+00 -3.091423851e+00 2.22 -3.185037084e+00 -3.185037084e+00 2.24 -3.260436022e+00 -3.260436022e+00 2.26 -3.319797262e+00 -3.319797262e+00 2.28 -3.365913225e+00 -3.365913225e+00 2.30 -3.401574875e+00 -3.401574875e+00 2.32 -3.429603721e+00 -3.429603721e+00 2.34 -3.452833646e+00 -3.452833646e+00 2.36 -3.472951244e+00 -3.472951244e+00 2.38 -3.489403882e+00 -3.489403882e+00 2.40 -3.501166941e+00 -3.501166941e+00 2.42 -3.507164435e+00 -3.507164435e+00 2.44 -3.506334793e+00 -3.506334793e+00 2.46 -3.497702742e+00 -3.497702742e+00 2.48 -3.481138946e+00 -3.481138946e+00 2.50 -3.457177561e+00 -3.457177561e+00 2.52 -3.426570216e+00 -3.426570216e+00 2.54 -3.390257813e+00 -3.390257813e+00 2.56 -3.349188921e+00 -3.349188921e+00 2.58 -3.304283389e+00 -3.304283389e+00 2.60 -3.256325613e+00 -3.256325613e+00 2.62 -3.206033686e+00 -3.206033686e+00 2.64 -3.154114428e+00 -3.154114428e+00 2.66 -3.101277917e+00 -3.101277917e+00 2.68 -3.047974866e+00 -3.047974866e+00 2.70 -2.994286225e+00 -2.994286225e+00 2.72 -2.940225975e+00 -2.940225975e+00 2.74 -2.885765837e+00 -2.885765837e+00 2.76 -2.830806444e+00 -2.830806444e+00 2.78 -2.775237799e+00 -2.775237799e+00 2.80 -2.718957538e+00 -2.718957538e+00 2.82 -2.661882265e+00 -2.661882265e+00 2.84 -2.604085285e+00 -2.604085285e+00 2.86 -2.545896656e+00 -2.545896656e+00 2.88 -2.487651787e+00 -2.487651787e+00 2.90 -2.429663609e+00 -2.429663609e+00 2.92 -2.372164246e+00 -2.372164246e+00 2.94 -2.315340789e+00 -2.315340789e+00 2.96 -2.259386628e+00 -2.259386628e+00 2.98 -2.204496426e+00 -2.204496426e+00 3.00 -2.150775446e+00 -2.150775446e+00 3.02 -2.098100533e+00 -2.098100533e+00 3.04 -2.046316131e+00 -2.046316131e+00 3.06 -1.995269057e+00 -1.995269057e+00 3.08 -1.944802263e+00 -1.944802263e+00 3.10 -1.894640026e+00 -1.894640026e+00 3.12 -1.844363240e+00 -1.844363240e+00 3.14 -1.793542430e+00 -1.793542430e+00 3.16 -1.741855346e+00 -1.741855346e+00 3.18 -1.689402756e+00 -1.689402756e+00 3.20 -1.636455780e+00 -1.636455780e+00 3.22 -1.583297028e+00 -1.583297028e+00 3.24 -1.530217570e+00 -1.530217570e+00 3.26 -1.477547657e+00 -1.477547657e+00 3.28 -1.425655941e+00 -1.425655941e+00 3.30 -1.374968930e+00 -1.374968930e+00 3.32 -1.325886887e+00 -1.325886887e+00 3.34 -1.278384982e+00 -1.278384982e+00 3.36 -1.232218378e+00 -1.232218378e+00 3.38 -1.187044742e+00 -1.187044742e+00 3.40 -1.142482145e+00 -1.142482145e+00 3.42 -1.098190419e+00 -1.098190419e+00 3.44 -1.053898518e+00 -1.053898518e+00 3.46 -1.009450423e+00 -1.009450423e+00 3.48 -9.647839923e-01 -9.647839923e-01 3.50 -9.199992146e-01 -9.199992146e-01 3.52 -8.752701179e-01 -8.752701179e-01 3.54 -8.307727466e-01 -8.307727466e-01 3.56 -7.866847812e-01 -7.866847812e-01 3.58 -7.431857983e-01 -7.431857983e-01 3.60 -7.004571145e-01 -7.004571145e-01 3.62 -6.586819462e-01 -6.586819462e-01 3.64 -6.180453279e-01 -6.180453279e-01 3.66 -5.787339272e-01 -5.787339272e-01 3.68 -5.409356766e-01 -5.409356766e-01 3.70 -5.048395156e-01 -5.048395156e-01 3.72 -4.706339352e-01 -4.706339352e-01 3.74 -4.385069860e-01 -4.385069860e-01 3.76 -4.086452208e-01 -4.086452208e-01 3.78 -3.812265418e-01 -3.812265418e-01 3.80 -3.564180857e-01 -3.564180857e-01 3.82 -3.342505275e-01 -3.342505275e-01 3.84 -3.146554524e-01 -3.146554524e-01 3.86 -2.974858530e-01 -2.974858530e-01 3.88 -2.825529862e-01 -2.825529862e-01 3.90 -2.697099583e-01 -2.697099583e-01 3.92 -2.589591165e-01 -2.589591165e-01 3.94 -2.501661554e-01 -2.501661554e-01 3.96 -2.431190704e-01 -2.431190704e-01 3.98 -2.375822185e-01 -2.375822185e-01 4.00 -2.332377321e-01 -2.332377321e-01 4.02 -2.298575698e-01 -2.298575698e-01 4.04 -2.271930457e-01 -2.271930457e-01 4.06 -2.250162881e-01 -2.250162881e-01 4.08 -2.231304071e-01 -2.231304071e-01 4.10 -2.213639184e-01 -2.213639184e-01 4.12 -2.195647650e-01 -2.195647650e-01 4.14 -2.175962987e-01 -2.175962987e-01 4.16 -2.153426572e-01 -2.153426572e-01 4.18 -2.127487659e-01 -2.127487659e-01 4.20 -2.097861155e-01 -2.097861155e-01 4.22 -2.064309506e-01 -2.064309506e-01 4.24 -2.026632330e-01 -2.026632330e-01 4.26 -1.985107676e-01 -1.985107676e-01 4.28 -1.939976575e-01 -1.939976575e-01 4.30 -1.891700406e-01 -1.891700406e-01 4.32 -1.840905942e-01 -1.840905942e-01 4.34 -1.788088153e-01 -1.788088153e-01 4.36 -1.733651333e-01 -1.733651333e-01 4.38 -1.677906601e-01 -1.677906601e-01 4.40 -1.621077408e-01 -1.621077408e-01 4.42 -1.563287751e-01 -1.563287751e-01 4.44 -1.504559044e-01 -1.504559044e-01 4.46 -1.444864544e-01 -1.444864544e-01 4.48 -1.384092597e-01 -1.384092597e-01 4.50 -1.322046348e-01 -1.322046348e-01 4.52 -1.258446976e-01 -1.258446976e-01 4.54 -1.192918206e-01 -1.192918206e-01 4.56 -1.124826330e-01 -1.124826330e-01 4.58 -1.054050266e-01 -1.054050266e-01 4.60 -9.809352844e-02 -9.809352844e-02 4.62 -9.064493312e-02 -9.064493312e-02 4.64 -8.324653579e-02 -8.324653579e-02 4.66 -7.617898891e-02 -7.617898891e-02 4.68 -6.977515578e-02 -6.977515578e-02 4.70 -6.433641224e-02 -6.433641224e-02 4.72 -6.003231483e-02 -6.003231483e-02 4.74 -5.686898848e-02 -5.686898848e-02 4.76 -5.465065140e-02 -5.465065140e-02 4.78 -5.309406915e-02 -5.309406915e-02 4.80 -5.192816278e-02 -5.192816278e-02 4.82 -5.094234187e-02 -5.094234187e-02 4.84 -5.000122872e-02 -5.000122872e-02 4.86 -4.903908235e-02 -4.903908235e-02 4.88 -4.803832171e-02 -4.803832171e-02 4.90 -4.699386702e-02 -4.699386702e-02 4.92 -4.590261574e-02 -4.590261574e-02 4.94 -4.476285144e-02 -4.476285144e-02 4.96 -4.357382736e-02 -4.357382736e-02 4.98 -4.233539572e-02 -4.233539572e-02 5.00 -4.104766956e-02 -4.104766956e-02 5.02 -3.971054525e-02 -3.971054525e-02 5.04 -3.831627797e-02 -3.831627797e-02 5.06 -3.686929197e-02 -3.686929197e-02 5.08 -3.537905483e-02 -3.537905483e-02 5.10 -3.385190957e-02 -3.385190957e-02 5.12 -3.229122419e-02 -3.229122419e-02 5.14 -3.069748398e-02 -3.069748398e-02 5.16 -2.906835054e-02 -2.906835054e-02 5.18 -2.739873152e-02 -2.739873152e-02 5.20 -2.568093952e-02 -2.568093952e-02 5.22 -2.390507474e-02 -2.390507474e-02 5.24 -2.205984972e-02 -2.205984972e-02 5.26 -2.013417978e-02 -2.013417978e-02 5.28 -1.811995562e-02 -1.811995562e-02 5.30 -1.601639235e-02 -1.601639235e-02 5.32 -1.383600539e-02 -1.383600539e-02 5.34 -1.161132156e-02 -1.161132156e-02 5.36 -9.399804478e-03 -9.399804478e-03 5.38 -7.282848063e-03 -7.282848063e-03 5.40 -5.354967160e-03 -5.354967160e-03 5.42 -3.703454211e-03 -3.703454211e-03 5.44 -2.385584159e-03 -2.385584159e-03 5.46 -1.414232194e-03 -1.414232194e-03 5.48 -7.587064848e-04 -7.587064848e-04 5.50 -3.586139048e-04 -3.586139048e-04 5.52 -1.424933782e-04 -1.424933782e-04 5.54 -4.343783103e-05 -4.343783103e-05 5.56 -8.233901364e-06 -8.233901364e-06 5.58 -4.929420074e-07 -4.929420074e-07 5.60 -2.786491028e-12 -2.784327701e-12 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00