# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr # implementation = 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr1 # composition = CrFe2Ni # 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 2022-05-24 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 4.253050660e+02 4.253050660e+02 1.02 3.902368138e+02 3.902368138e+02 1.04 3.582473427e+02 3.582473427e+02 1.06 3.290550907e+02 3.290550907e+02 1.08 3.023341862e+02 3.023341862e+02 1.10 2.778043920e+02 2.778043920e+02 1.12 2.552853625e+02 2.552853625e+02 1.14 2.346446055e+02 2.346446055e+02 1.16 2.157310602e+02 2.157310602e+02 1.18 1.983672714e+02 1.983672714e+02 1.20 1.823942095e+02 1.823942095e+02 1.22 1.676938194e+02 1.676938194e+02 1.24 1.541722784e+02 1.541722784e+02 1.26 1.417435264e+02 1.417435264e+02 1.28 1.303208015e+02 1.303208015e+02 1.30 1.198105954e+02 1.198105954e+02 1.32 1.101181870e+02 1.101181870e+02 1.34 1.011615724e+02 1.011615724e+02 1.36 9.287695485e+01 9.287695485e+01 1.38 8.521345340e+01 8.521345340e+01 1.40 7.812682187e+01 7.812682187e+01 1.42 7.157715527e+01 7.157715527e+01 1.44 6.552897011e+01 6.552897011e+01 1.46 5.994986289e+01 5.994986289e+01 1.48 5.480635577e+01 5.480635577e+01 1.50 5.006097010e+01 5.006097010e+01 1.52 4.567501400e+01 4.567501400e+01 1.54 4.161464413e+01 4.161464413e+01 1.56 3.785396454e+01 3.785396454e+01 1.58 3.437344281e+01 3.437344281e+01 1.60 3.115677450e+01 3.115677450e+01 1.62 2.818879268e+01 2.818879268e+01 1.64 2.545449631e+01 2.545449631e+01 1.66 2.293835421e+01 2.293835421e+01 1.68 2.062359044e+01 2.062359044e+01 1.70 1.849210598e+01 1.849210598e+01 1.72 1.652543117e+01 1.652543117e+01 1.74 1.470713830e+01 1.470713830e+01 1.76 1.302571639e+01 1.302571639e+01 1.78 1.147476982e+01 1.147476982e+01 1.80 1.004956918e+01 1.004956918e+01 1.82 8.742463888e+00 8.742463888e+00 1.84 7.541340590e+00 7.541340590e+00 1.86 6.432336155e+00 6.432336155e+00 1.88 5.403968965e+00 5.403968965e+00 1.90 4.449057911e+00 4.449057911e+00 1.92 3.563792394e+00 3.563792394e+00 1.94 2.745754448e+00 2.745754448e+00 1.96 1.992547571e+00 1.992547571e+00 1.98 1.301401750e+00 1.301401750e+00 2.00 6.692782091e-01 6.692782091e-01 2.02 9.303820653e-02 9.303820653e-02 2.04 -4.305234887e-01 -4.305234887e-01 2.06 -9.046249679e-01 -9.046249679e-01 2.08 -1.332442589e+00 -1.332442589e+00 2.10 -1.717059565e+00 -1.717059565e+00 2.12 -2.061426366e+00 -2.061426366e+00 2.14 -2.368341569e+00 -2.368341569e+00 2.16 -2.640454577e+00 -2.640454577e+00 2.18 -2.880302414e+00 -2.880302414e+00 2.20 -3.090363162e+00 -3.090363162e+00 2.22 -3.273119819e+00 -3.273119819e+00 2.24 -3.431109378e+00 -3.431109378e+00 2.26 -3.566933298e+00 -3.566933298e+00 2.28 -3.683230480e+00 -3.683230480e+00 2.30 -3.782612292e+00 -3.782612292e+00 2.32 -3.867581831e+00 -3.867581831e+00 2.34 -3.940457555e+00 -3.940457555e+00 2.36 -4.003315618e+00 -4.003315618e+00 2.38 -4.057950123e+00 -4.057950123e+00 2.40 -4.105834705e+00 -4.105834705e+00 2.42 -4.148067246e+00 -4.148067246e+00 2.44 -4.185292914e+00 -4.185292914e+00 2.46 -4.217635333e+00 -4.217635333e+00 2.48 -4.244695263e+00 -4.244695263e+00 2.50 -4.265676711e+00 -4.265676711e+00 2.52 -4.279650946e+00 -4.279650946e+00 2.54 -4.285893092e+00 -4.285893092e+00 2.56 -4.284165097e+00 -4.284165097e+00 2.58 -4.274826450e+00 -4.274826450e+00 2.60 -4.258731456e+00 -4.258731456e+00 2.62 -4.236975211e+00 -4.236975211e+00 2.64 -4.210614244e+00 -4.210614244e+00 2.66 -4.180476328e+00 -4.180476328e+00 2.68 -4.147106957e+00 -4.147106957e+00 2.70 -4.110832571e+00 -4.110832571e+00 2.72 -4.071979877e+00 -4.071979877e+00 2.74 -4.030910729e+00 -4.030910729e+00 2.76 -3.987947815e+00 -3.987947815e+00 2.78 -3.943395972e+00 -3.943395972e+00 2.80 -3.897544259e+00 -3.897544259e+00 2.82 -3.850582956e+00 -3.850582956e+00 2.84 -3.802454931e+00 -3.802454931e+00 2.86 -3.753090292e+00 -3.753090292e+00 2.88 -3.702463329e+00 -3.702463329e+00 2.90 -3.650596848e+00 -3.650596848e+00 2.92 -3.597567211e+00 -3.597567211e+00 2.94 -3.543507621e+00 -3.543507621e+00 2.96 -3.488601620e+00 -3.488601620e+00 2.98 -3.433073281e+00 -3.433073281e+00 3.00 -3.377168835e+00 -3.377168835e+00 3.02 -3.321135324e+00 -3.321135324e+00 3.04 -3.265199301e+00 -3.265199301e+00 3.06 -3.209549524e+00 -3.209549524e+00 3.08 -3.154326216e+00 -3.154326216e+00 3.10 -3.099618546e+00 -3.099618546e+00 3.12 -3.045468913e+00 -3.045468913e+00 3.14 -2.991879104e+00 -2.991879104e+00 3.16 -2.938824162e+00 -2.938824162e+00 3.18 -2.886267332e+00 -2.886267332e+00 3.20 -2.834172314e+00 -2.834172314e+00 3.22 -2.782511561e+00 -2.782511561e+00 3.24 -2.731270568e+00 -2.731270568e+00 3.26 -2.680411692e+00 -2.680411692e+00 3.28 -2.629801543e+00 -2.629801543e+00 3.30 -2.579326358e+00 -2.579326358e+00 3.32 -2.528911493e+00 -2.528911493e+00 3.34 -2.478513084e+00 -2.478513084e+00 3.36 -2.428111619e+00 -2.428111619e+00 3.38 -2.377705244e+00 -2.377705244e+00 3.40 -2.327305981e+00 -2.327305981e+00 3.42 -2.276935901e+00 -2.276935901e+00 3.44 -2.226624279e+00 -2.226624279e+00 3.46 -2.176405947e+00 -2.176405947e+00 3.48 -2.126318837e+00 -2.126318837e+00 3.50 -2.076403409e+00 -2.076403409e+00 3.52 -2.026701875e+00 -2.026701875e+00 3.54 -1.977256858e+00 -1.977256858e+00 3.56 -1.928111489e+00 -1.928111489e+00 3.58 -1.879308859e+00 -1.879308859e+00 3.60 -1.830891757e+00 -1.830891757e+00 3.62 -1.782902458e+00 -1.782902458e+00 3.64 -1.735382512e+00 -1.735382512e+00 3.66 -1.688372495e+00 -1.688372495e+00 3.68 -1.641911698e+00 -1.641911698e+00 3.70 -1.596037719e+00 -1.596037719e+00 3.72 -1.550785930e+00 -1.550785930e+00 3.74 -1.506188805e+00 -1.506188805e+00 3.76 -1.462275102e+00 -1.462275102e+00 3.78 -1.419068884e+00 -1.419068884e+00 3.80 -1.376588462e+00 -1.376588462e+00 3.82 -1.334845232e+00 -1.334845232e+00 3.84 -1.293842506e+00 -1.293842506e+00 3.86 -1.253574474e+00 -1.253574474e+00 3.88 -1.214025336e+00 -1.214025336e+00 3.90 -1.175168789e+00 -1.175168789e+00 3.92 -1.136968024e+00 -1.136968024e+00 3.94 -1.099376312e+00 -1.099376312e+00 3.96 -1.062338372e+00 -1.062338372e+00 3.98 -1.025792513e+00 -1.025792513e+00 4.00 -9.896736144e-01 -9.896736144e-01 4.02 -9.539168377e-01 -9.539168377e-01 4.04 -9.184619077e-01 -9.184619077e-01 4.06 -8.832577098e-01 -8.832577098e-01 4.08 -8.482668482e-01 -8.482668482e-01 4.10 -8.134697961e-01 -8.134697961e-01 4.12 -7.788681824e-01 -7.788681824e-01 4.14 -7.444869007e-01 -7.444869007e-01 4.16 -7.103746632e-01 -7.103746632e-01 4.18 -6.766028943e-01 -6.766028943e-01 4.20 -6.432629104e-01 -6.432629104e-01 4.22 -6.104615631e-01 -6.104615631e-01 4.24 -5.783156883e-01 -5.783156883e-01 4.26 -5.469458139e-01 -5.469458139e-01 4.28 -5.164696857e-01 -5.164696857e-01 4.30 -4.869961666e-01 -4.869961666e-01 4.32 -4.586200059e-01 -4.586200059e-01 4.34 -4.314178651e-01 -4.314178651e-01 4.36 -4.054458102e-01 -4.054458102e-01 4.38 -3.807383086e-01 -3.807383086e-01 4.40 -3.573086182e-01 -3.573086182e-01 4.42 -3.351503071e-01 -3.351503071e-01 4.44 -3.142395766e-01 -3.142395766e-01 4.46 -2.945380573e-01 -2.945380573e-01 4.48 -2.759957401e-01 -2.759957401e-01 4.50 -2.585538132e-01 -2.585538132e-01 4.52 -2.421472237e-01 -2.421472237e-01 4.54 -2.267069022e-01 -2.267069022e-01 4.56 -2.121616455e-01 -2.121616455e-01 4.58 -1.984397139e-01 -1.984397139e-01 4.60 -1.854702238e-01 -1.854702238e-01 4.62 -1.731844260e-01 -1.731844260e-01 4.64 -1.615169354e-01 -1.615169354e-01 4.66 -1.504069462e-01 -1.504069462e-01 4.68 -1.397994284e-01 -1.397994284e-01 4.70 -1.296462690e-01 -1.296462690e-01 4.72 -1.199072738e-01 -1.199072738e-01 4.74 -1.105509826e-01 -1.105509826e-01 4.76 -1.015551004e-01 -1.015551004e-01 4.78 -9.290661383e-02 -9.290661383e-02 4.80 -8.460140969e-02 -8.460140969e-02 4.82 -7.664343658e-02 -7.664343658e-02 4.84 -6.904336756e-02 -6.904336756e-02 4.86 -6.181709354e-02 -6.181709354e-02 4.88 -5.498367046e-02 -5.498367046e-02 4.90 -4.856296863e-02 -4.856296863e-02 4.92 -4.257396216e-02 -4.257396216e-02 4.94 -3.703226504e-02 -3.703226504e-02 4.96 -3.194607216e-02 -3.194607216e-02 4.98 -2.732302596e-02 -2.732302596e-02 5.00 -2.316351504e-02 -2.316351504e-02 5.02 -1.946037683e-02 -1.946037683e-02 5.04 -1.619896430e-02 -1.619896430e-02 5.06 -1.335774595e-02 -1.335774595e-02 5.08 -1.090921902e-02 -1.090921902e-02 5.10 -8.823188451e-03 -8.823188451e-03 5.12 -7.066394935e-03 -7.066394935e-03 5.14 -5.603833602e-03 -5.603833602e-03 5.16 -4.400148257e-03 -4.400148257e-03 5.18 -3.420810526e-03 -3.420810526e-03 5.20 -2.633056127e-03 -2.633056127e-03 5.22 -2.006572915e-03 -2.006572915e-03 5.24 -1.513951837e-03 -1.513951837e-03 5.26 -1.130924803e-03 -1.130924803e-03 5.28 -8.364218750e-04 -8.364218750e-04 5.30 -6.123512041e-04 -6.123512041e-04 5.32 -4.439409551e-04 -4.439409551e-04 5.34 -3.187132733e-04 -3.187132733e-04 5.36 -2.265593711e-04 -2.265593711e-04 5.38 -1.594712424e-04 -1.594712424e-04 5.40 -1.111506009e-04 -1.111506009e-04 5.42 -7.671487190e-05 -7.671487190e-05 5.44 -5.238685970e-05 -5.238685970e-05 5.46 -3.545779356e-05 -3.545779356e-05 5.48 -2.376599195e-05 -2.376599195e-05 5.50 -1.577440318e-05 -1.577440318e-05 5.52 -1.036815447e-05 -1.036815447e-05 5.54 -6.748361212e-06 -6.748361212e-06 5.56 -4.349493943e-06 -4.349493943e-06 5.58 -2.656552632e-06 -2.656552632e-06 5.60 -1.685014970e-06 -1.685014970e-06 5.62 -9.751199622e-07 -9.751199622e-07 5.64 -6.071320744e-07 -6.071320744e-07 5.66 -3.738542794e-07 -3.738542794e-07 5.68 -2.276698600e-07 -2.276698600e-07 5.70 -1.371144588e-07 -1.371144588e-07 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