# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = CoFeNi2 # 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 2024-03-01 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 -4.754080084e+02 -4.754080084e+02 1.04 -4.478675168e+02 -4.478675168e+02 1.06 -4.225098829e+02 -4.225098829e+02 1.08 -3.990724688e+02 -3.990724688e+02 1.10 -3.771405277e+02 -3.771405277e+02 1.12 -3.564181414e+02 -3.564181414e+02 1.14 -3.367174188e+02 -3.367174188e+02 1.16 -3.178735063e+02 -3.178735063e+02 1.18 -2.997903916e+02 -2.997903916e+02 1.20 -2.824592687e+02 -2.824592687e+02 1.22 -2.660210309e+02 -2.660210309e+02 1.24 -2.507467470e+02 -2.507467470e+02 1.26 -2.367955796e+02 -2.367955796e+02 1.28 -2.241067431e+02 -2.241067431e+02 1.30 -2.124166941e+02 -2.124166941e+02 1.32 -2.015045166e+02 -2.015045166e+02 1.34 -1.912015781e+02 -1.912015781e+02 1.36 -1.813403201e+02 -1.813403201e+02 1.38 -1.717686275e+02 -1.717686275e+02 1.40 -1.623798812e+02 -1.623798812e+02 1.42 -1.531124539e+02 -1.531124539e+02 1.44 -1.439520502e+02 -1.439520502e+02 1.46 -1.348755677e+02 -1.348755677e+02 1.48 -1.258487663e+02 -1.258487663e+02 1.50 -1.168776147e+02 -1.168776147e+02 1.52 -1.079943262e+02 -1.079943262e+02 1.54 -9.923954954e+01 -9.923954954e+01 1.56 -9.067338967e+01 -9.067338967e+01 1.58 -8.239163719e+01 -8.239163719e+01 1.60 -7.448942463e+01 -7.448942463e+01 1.62 -6.700776690e+01 -6.700776690e+01 1.64 -5.995012911e+01 -5.995012911e+01 1.66 -5.331964712e+01 -5.331964712e+01 1.68 -4.710670034e+01 -4.710670034e+01 1.70 -4.126860622e+01 -4.126860622e+01 1.72 -3.576169490e+01 -3.576169490e+01 1.74 -3.055293249e+01 -3.055293249e+01 1.76 -2.563202677e+01 -2.563202677e+01 1.78 -2.099670888e+01 -2.099670888e+01 1.80 -1.664962837e+01 -1.664962837e+01 1.82 -1.271343913e+01 -1.271343913e+01 1.84 -9.337128895e+00 -9.337128895e+00 1.86 -6.656463494e+00 -6.656463494e+00 1.88 -4.744505167e+00 -4.744505167e+00 1.90 -3.431658574e+00 -3.431658574e+00 1.92 -2.570583854e+00 -2.570583854e+00 1.94 -2.046840294e+00 -2.046840294e+00 1.96 -1.771100939e+00 -1.771100939e+00 1.98 -1.671380287e+00 -1.671380287e+00 2.00 -1.693875548e+00 -1.693875548e+00 2.02 -1.798755044e+00 -1.798755044e+00 2.04 -1.956942239e+00 -1.956942239e+00 2.06 -2.146885331e+00 -2.146885331e+00 2.08 -2.352368251e+00 -2.352368251e+00 2.10 -2.562961253e+00 -2.562961253e+00 2.12 -2.775183848e+00 -2.775183848e+00 2.14 -2.984477238e+00 -2.984477238e+00 2.16 -3.184992984e+00 -3.184992984e+00 2.18 -3.370757958e+00 -3.370757958e+00 2.20 -3.537088645e+00 -3.537088645e+00 2.22 -3.682019232e+00 -3.682019232e+00 2.24 -3.806669242e+00 -3.806669242e+00 2.26 -3.912861993e+00 -3.912861993e+00 2.28 -4.002836699e+00 -4.002836699e+00 2.30 -4.078475497e+00 -4.078475497e+00 2.32 -4.141061502e+00 -4.141061502e+00 2.34 -4.191792740e+00 -4.191792740e+00 2.36 -4.231864939e+00 -4.231864939e+00 2.38 -4.262522163e+00 -4.262522163e+00 2.40 -4.284756783e+00 -4.284756783e+00 2.42 -4.299332351e+00 -4.299332351e+00 2.44 -4.306866287e+00 -4.306866287e+00 2.46 -4.307870281e+00 -4.307870281e+00 2.48 -4.302623061e+00 -4.302623061e+00 2.50 -4.291771752e+00 -4.291771752e+00 2.52 -4.275730069e+00 -4.275730069e+00 2.54 -4.254138247e+00 -4.254138247e+00 2.56 -4.226644654e+00 -4.226644654e+00 2.58 -4.193221785e+00 -4.193221785e+00 2.60 -4.154072885e+00 -4.154072885e+00 2.62 -4.109500998e+00 -4.109500998e+00 2.64 -4.059878620e+00 -4.059878620e+00 2.66 -4.005653649e+00 -4.005653649e+00 2.68 -3.947198223e+00 -3.947198223e+00 2.70 -3.884911400e+00 -3.884911400e+00 2.72 -3.819297027e+00 -3.819297027e+00 2.74 -3.750935511e+00 -3.750935511e+00 2.76 -3.680472066e+00 -3.680472066e+00 2.78 -3.608672234e+00 -3.608672234e+00 2.80 -3.536412417e+00 -3.536412417e+00 2.82 -3.464550368e+00 -3.464550368e+00 2.84 -3.393814786e+00 -3.393814786e+00 2.86 -3.324772883e+00 -3.324772883e+00 2.88 -3.257778430e+00 -3.257778430e+00 2.90 -3.193013571e+00 -3.193013571e+00 2.92 -3.130481651e+00 -3.130481651e+00 2.94 -3.069820242e+00 -3.069820242e+00 2.96 -3.010320058e+00 -3.010320058e+00 2.98 -2.949542803e+00 -2.949542803e+00 3.00 -2.884570674e+00 -2.884570674e+00 3.02 -2.812784728e+00 -2.812784728e+00 3.04 -2.731830186e+00 -2.731830186e+00 3.06 -2.639478776e+00 -2.639478776e+00 3.08 -2.533498994e+00 -2.533498994e+00 3.10 -2.411683818e+00 -2.411683818e+00 3.12 -2.271897385e+00 -2.271897385e+00 3.14 -2.112502783e+00 -2.112502783e+00 3.16 -1.932522773e+00 -1.932522773e+00 3.18 -1.731449673e+00 -1.731449673e+00 3.20 -1.512250973e+00 -1.512250973e+00 3.22 -1.385401935e+00 -1.385401935e+00 3.24 -1.311337919e+00 -1.311337919e+00 3.26 -1.239524711e+00 -1.239524711e+00 3.28 -1.170143929e+00 -1.170143929e+00 3.30 -1.103284121e+00 -1.103284121e+00 3.32 -1.038956507e+00 -1.038956507e+00 3.34 -9.771186727e-01 -9.771186727e-01 3.36 -9.177065477e-01 -9.177065477e-01 3.38 -8.606568736e-01 -8.606568736e-01 3.40 -8.059405056e-01 -8.059405056e-01 3.42 -7.536105371e-01 -7.536105371e-01 3.44 -7.037396622e-01 -7.037396622e-01 3.46 -6.563951723e-01 -6.563951723e-01 3.48 -6.116263251e-01 -6.116263251e-01 3.50 -5.694554061e-01 -5.694554061e-01 3.52 -5.298737479e-01 -5.298737479e-01 3.54 -4.928430340e-01 -4.928430340e-01 3.56 -4.583003100e-01 -4.583003100e-01 3.58 -4.261598776e-01 -4.261598776e-01 3.60 -3.963172132e-01 -3.963172132e-01 3.62 -3.686613404e-01 -3.686613404e-01 3.64 -3.430793647e-01 -3.430793647e-01 3.66 -3.194730803e-01 -3.194730803e-01 3.68 -2.977491595e-01 -2.977491595e-01 3.70 -2.778128687e-01 -2.778128687e-01 3.72 -2.595686846e-01 -2.595686846e-01 3.74 -2.429210220e-01 -2.429210220e-01 3.76 -2.277746352e-01 -2.277746352e-01 3.78 -2.140351701e-01 -2.140351701e-01 3.80 -2.016091661e-01 -2.016091661e-01 3.82 -1.904045406e-01 -1.904045406e-01 3.84 -1.803305682e-01 -1.803305682e-01 3.86 -1.712993473e-01 -1.712993473e-01 3.88 -1.632369103e-01 -1.632369103e-01 3.90 -1.560764534e-01 -1.560764534e-01 3.92 -1.497520748e-01 -1.497520748e-01 3.94 -1.442001977e-01 -1.442001977e-01 3.96 -1.393613254e-01 -1.393613254e-01 3.98 -1.351768443e-01 -1.351768443e-01 4.00 -1.315885539e-01 -1.315885539e-01 4.02 -1.285386631e-01 -1.285386631e-01 4.04 -1.259695738e-01 -1.259695738e-01 4.06 -1.238239158e-01 -1.238239158e-01 4.08 -1.220442471e-01 -1.220442471e-01 4.10 -1.205732194e-01 -1.205732194e-01 4.12 -1.193531609e-01 -1.193531609e-01 4.14 -1.183235701e-01 -1.183235701e-01 4.16 -1.174193909e-01 -1.174193909e-01 4.18 -1.165746769e-01 -1.165746769e-01 4.20 -1.157275992e-01 -1.157275992e-01 4.22 -1.148411610e-01 -1.148411610e-01 4.24 -1.138861905e-01 -1.138861905e-01 4.26 -1.128327077e-01 -1.128327077e-01 4.28 -1.116498998e-01 -1.116498998e-01 4.30 -1.103061090e-01 -1.103061090e-01 4.32 -1.087689901e-01 -1.087689901e-01 4.34 -1.070057140e-01 -1.070057140e-01 4.36 -1.049831250e-01 -1.049831250e-01 4.38 -1.026684513e-01 -1.026684513e-01 4.40 -1.000298035e-01 -1.000298035e-01 4.42 -9.703725464e-02 -9.703725464e-02 4.44 -9.366415669e-02 -9.366415669e-02 4.46 -8.988878179e-02 -8.988878179e-02 4.48 -8.569648328e-02 -8.569648328e-02 4.50 -8.108222999e-02 -8.108222999e-02 4.52 -7.605490520e-02 -7.605490520e-02 4.54 -7.065187100e-02 -7.065187100e-02 4.56 -6.493830276e-02 -6.493830276e-02 4.58 -5.900090668e-02 -5.900090668e-02 4.60 -5.294742906e-02 -5.294742906e-02 4.62 -4.690458656e-02 -4.690458656e-02 4.64 -4.101292494e-02 -4.101292494e-02 4.66 -3.541817214e-02 -3.541817214e-02 4.68 -3.025990255e-02 -3.025990255e-02 4.70 -2.565848358e-02 -2.565848358e-02 4.72 -2.170267994e-02 -2.170267994e-02 4.74 -1.844018354e-02 -1.844018354e-02 4.76 -1.587321635e-02 -1.587321635e-02 4.78 -1.395714360e-02 -1.395714360e-02 4.80 -1.261240581e-02 -1.261240581e-02 4.82 -1.174561704e-02 -1.174561704e-02 4.84 -1.125230762e-02 -1.125230762e-02 4.86 -1.102665028e-02 -1.102665028e-02 4.88 -1.097135265e-02 -1.097135265e-02 4.90 -1.100388303e-02 -1.100388303e-02 4.92 -1.105988174e-02 -1.105988174e-02 4.94 -1.109413949e-02 -1.109413949e-02 4.96 -1.107913802e-02 -1.107913802e-02 4.98 -1.100291124e-02 -1.100291124e-02 5.00 -1.086568488e-02 -1.086568488e-02 5.02 -1.067651912e-02 -1.067651912e-02 5.04 -1.044825860e-02 -1.044825860e-02 5.06 -1.018163508e-02 -1.018163508e-02 5.08 -9.869603737e-03 -9.869603737e-03 5.10 -9.505576917e-03 -9.505576917e-03 5.12 -9.083802902e-03 -9.083802902e-03 5.14 -8.599757264e-03 -8.599757264e-03 5.16 -8.050366876e-03 -8.050366876e-03 5.18 -7.434497909e-03 -7.434497909e-03 5.20 -6.753265277e-03 -6.753265277e-03 5.22 -6.010557479e-03 -6.010557479e-03 5.24 -5.213859797e-03 -5.213859797e-03 5.26 -4.374158215e-03 -4.374158215e-03 5.28 -3.506127298e-03 -3.506127298e-03 5.30 -2.627848836e-03 -2.627848836e-03 5.32 -1.760346516e-03 -1.760346516e-03 5.34 -9.268666237e-04 -9.268666237e-04 5.36 -1.514338271e-04 -1.514338271e-04 5.38 5.426099981e-04 5.426099981e-04 5.40 1.134577990e-03 1.134577990e-03 5.42 1.608382847e-03 1.608382847e-03 5.44 1.954210860e-03 1.954210860e-03 5.46 2.169918221e-03 2.169918221e-03 5.48 2.261672386e-03 2.261672386e-03 5.50 2.243786511e-03 2.243786511e-03 5.52 2.137636169e-03 2.137636169e-03 5.54 1.966157849e-03 1.966157849e-03 5.56 1.747059597e-03 1.747059597e-03 5.58 1.498062331e-03 1.498062331e-03 5.60 1.236921214e-03 1.236921214e-03 5.62 9.799027977e-04 9.799027977e-04 5.64 7.406992843e-04 7.406992843e-04 5.66 5.298539628e-04 5.298539628e-04 5.68 3.541909481e-04 3.541909481e-04 5.70 2.168810492e-04 2.168810492e-04 5.72 1.176340867e-04 1.176340867e-04 5.74 5.310677328e-05 5.310677328e-05 5.76 1.747267062e-05 1.747267062e-05 5.78 2.837659128e-06 2.837659128e-06 5.80 2.471860487e-09 2.487322886e-09 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