# 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 = Fe2NiTi # 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 1.802598150e+02 1.802598150e+02 1.30 1.647915071e+02 1.647915071e+02 1.32 1.506021445e+02 1.506021445e+02 1.34 1.375743865e+02 1.375743865e+02 1.36 1.256056467e+02 1.256056467e+02 1.38 1.146070464e+02 1.146070464e+02 1.40 1.045004081e+02 1.045004081e+02 1.42 9.521539310e+01 9.521539310e+01 1.44 8.668797866e+01 8.668797866e+01 1.46 7.885981917e+01 7.885981917e+01 1.48 7.167755094e+01 7.167755094e+01 1.50 6.509181748e+01 6.509181748e+01 1.52 5.905640816e+01 5.905640816e+01 1.54 5.352779732e+01 5.352779732e+01 1.56 4.846500204e+01 4.846500204e+01 1.58 4.382954398e+01 4.382954398e+01 1.60 3.958544882e+01 3.958544882e+01 1.62 3.569932610e+01 3.569932610e+01 1.64 3.214045631e+01 3.214045631e+01 1.66 2.888071449e+01 2.888071449e+01 1.68 2.589439655e+01 2.589439655e+01 1.70 2.315780193e+01 2.315780193e+01 1.72 2.064919434e+01 2.064919434e+01 1.74 1.834883537e+01 1.834883537e+01 1.76 1.623896393e+01 1.623896393e+01 1.78 1.430372671e+01 1.430372671e+01 1.80 1.252902315e+01 1.252902315e+01 1.82 1.090231029e+01 1.090231029e+01 1.84 9.412379300e+00 9.412379300e+00 1.86 8.049101458e+00 8.049101458e+00 1.88 6.803163268e+00 6.803163268e+00 1.90 5.665832833e+00 5.665832833e+00 1.92 4.628791780e+00 4.628791780e+00 1.94 3.684050730e+00 3.684050730e+00 1.96 2.823947587e+00 2.823947587e+00 1.98 2.041204318e+00 2.041204318e+00 2.00 1.328997825e+00 1.328997825e+00 2.02 6.810119499e-01 6.810119499e-01 2.04 9.146879242e-02 9.146879242e-02 2.06 -4.448475173e-01 -4.448475173e-01 2.08 -9.325727253e-01 -9.325727253e-01 2.10 -1.375764991e+00 -1.375764991e+00 2.12 -1.777945225e+00 -1.777945225e+00 2.14 -2.142177263e+00 -2.142177263e+00 2.16 -2.471171490e+00 -2.471171490e+00 2.18 -2.767389783e+00 -2.767389783e+00 2.20 -3.033134682e+00 -3.033134682e+00 2.22 -3.270614800e+00 -3.270614800e+00 2.24 -3.481983024e+00 -3.481983024e+00 2.26 -3.669347897e+00 -3.669347897e+00 2.28 -3.834762954e+00 -3.834762954e+00 2.30 -3.980202210e+00 -3.980202210e+00 2.32 -4.107531382e+00 -4.107531382e+00 2.34 -4.218478132e+00 -4.218478132e+00 2.36 -4.314605078e+00 -4.314605078e+00 2.38 -4.397289600e+00 -4.397289600e+00 2.40 -4.467718148e+00 -4.467718148e+00 2.42 -4.526916919e+00 -4.526916919e+00 2.44 -4.575799810e+00 -4.575799810e+00 2.46 -4.615045519e+00 -4.615045519e+00 2.48 -4.645267884e+00 -4.645267884e+00 2.50 -4.667057200e+00 -4.667057200e+00 2.52 -4.680996830e+00 -4.680996830e+00 2.54 -4.687665982e+00 -4.687665982e+00 2.56 -4.687623530e+00 -4.687623530e+00 2.58 -4.681292144e+00 -4.681292144e+00 2.60 -4.669030445e+00 -4.669030445e+00 2.62 -4.651129245e+00 -4.651129245e+00 2.64 -4.627781895e+00 -4.627781895e+00 2.66 -4.599198832e+00 -4.599198832e+00 2.68 -4.565624927e+00 -4.565624927e+00 2.70 -4.527338241e+00 -4.527338241e+00 2.72 -4.484644989e+00 -4.484644989e+00 2.74 -4.437874255e+00 -4.437874255e+00 2.76 -4.387370836e+00 -4.387370836e+00 2.78 -4.333458312e+00 -4.333458312e+00 2.80 -4.276206149e+00 -4.276206149e+00 2.82 -4.215590908e+00 -4.215590908e+00 2.84 -4.151650152e+00 -4.151650152e+00 2.86 -4.084475936e+00 -4.084475936e+00 2.88 -4.014207828e+00 -4.014207828e+00 2.90 -3.941025434e+00 -3.941025434e+00 2.92 -3.865139429e+00 -3.865139429e+00 2.94 -3.786781486e+00 -3.786781486e+00 2.96 -3.706194520e+00 -3.706194520e+00 2.98 -3.623624747e+00 -3.623624747e+00 3.00 -3.539316226e+00 -3.539316226e+00 3.02 -3.453507351e+00 -3.453507351e+00 3.04 -3.366428063e+00 -3.366428063e+00 3.06 -3.278297250e+00 -3.278297250e+00 3.08 -3.189320004e+00 -3.189320004e+00 3.10 -3.099687108e+00 -3.099687108e+00 3.12 -3.009577489e+00 -3.009577489e+00 3.14 -2.919164807e+00 -2.919164807e+00 3.16 -2.828626589e+00 -2.828626589e+00 3.18 -2.738154844e+00 -2.738154844e+00 3.20 -2.647965048e+00 -2.647965048e+00 3.22 -2.558301738e+00 -2.558301738e+00 3.24 -2.469439326e+00 -2.469439326e+00 3.26 -2.381677662e+00 -2.381677662e+00 3.28 -2.295332664e+00 -2.295332664e+00 3.30 -2.210723111e+00 -2.210723111e+00 3.32 -2.128155240e+00 -2.128155240e+00 3.34 -2.047907135e+00 -2.047907135e+00 3.36 -1.970214932e+00 -1.970214932e+00 3.38 -1.895262555e+00 -1.895262555e+00 3.40 -1.823176078e+00 -1.823176078e+00 3.42 -1.754023193e+00 -1.754023193e+00 3.44 -1.687817111e+00 -1.687817111e+00 3.46 -1.624524273e+00 -1.624524273e+00 3.48 -1.564074144e+00 -1.564074144e+00 3.50 -1.506369678e+00 -1.506369678e+00 3.52 -1.451296957e+00 -1.451296957e+00 3.54 -1.398732938e+00 -1.398732938e+00 3.56 -1.348550719e+00 -1.348550719e+00 3.58 -1.300622375e+00 -1.300622375e+00 3.60 -1.254819944e+00 -1.254819944e+00 3.62 -1.211015486e+00 -1.211015486e+00 3.64 -1.169081128e+00 -1.169081128e+00 3.66 -1.128889748e+00 -1.128889748e+00 3.68 -1.090316521e+00 -1.090316521e+00 3.70 -1.053241191e+00 -1.053241191e+00 3.72 -1.017550679e+00 -1.017550679e+00 3.74 -9.831416417e-01 -9.831416417e-01 3.76 -9.499226090e-01 -9.499226090e-01 3.78 -9.178154876e-01 -9.178154876e-01 3.80 -8.867562866e-01 -8.867562866e-01 3.82 -8.566949935e-01 -8.566949935e-01 3.84 -8.275945790e-01 -8.275945790e-01 3.86 -7.994291686e-01 -7.994291686e-01 3.88 -7.721815022e-01 -7.721815022e-01 3.90 -7.458399035e-01 -7.458399035e-01 3.92 -7.203950542e-01 -7.203950542e-01 3.94 -6.958370811e-01 -6.958370811e-01 3.96 -6.721529241e-01 -6.721529241e-01 3.98 -6.493247513e-01 -6.493247513e-01 4.00 -6.273291164e-01 -6.273291164e-01 4.02 -6.061369704e-01 -6.061369704e-01 4.04 -5.857143308e-01 -5.857143308e-01 4.06 -5.660233682e-01 -5.660233682e-01 4.08 -5.470233849e-01 -5.470233849e-01 4.10 -5.286726102e-01 -5.286726102e-01 4.12 -5.109295283e-01 -5.109295283e-01 4.14 -4.937528695e-01 -4.937528695e-01 4.16 -4.771027353e-01 -4.771027353e-01 4.18 -4.609410614e-01 -4.609410614e-01 4.20 -4.452320181e-01 -4.452320181e-01 4.22 -4.299423205e-01 -4.299423205e-01 4.24 -4.150415086e-01 -4.150415086e-01 4.26 -4.005022400e-01 -4.005022400e-01 4.28 -3.863006262e-01 -3.863006262e-01 4.30 -3.724166196e-01 -3.724166196e-01 4.32 -3.588344378e-01 -3.588344378e-01 4.34 -3.455429906e-01 -3.455429906e-01 4.36 -3.325362504e-01 -3.325362504e-01 4.38 -3.198134926e-01 -3.198134926e-01 4.40 -3.073793192e-01 -3.073793192e-01 4.42 -2.952433885e-01 -2.952433885e-01 4.44 -2.834197902e-01 -2.834197902e-01 4.46 -2.719260476e-01 -2.719260476e-01 4.48 -2.607817813e-01 -2.607817813e-01 4.50 -2.500071279e-01 -2.500071279e-01 4.52 -2.396210551e-01 -2.396210551e-01 4.54 -2.296397476e-01 -2.296397476e-01 4.56 -2.200752330e-01 -2.200752330e-01 4.58 -2.109343885e-01 -2.109343885e-01 4.60 -2.022184090e-01 -2.022184090e-01 4.62 -1.939227512e-01 -1.939227512e-01 4.64 -1.860375046e-01 -1.860375046e-01 4.66 -1.785480955e-01 -1.785480955e-01 4.68 -1.714362034e-01 -1.714362034e-01 4.70 -1.646807753e-01 -1.646807753e-01 4.72 -1.582590323e-01 -1.582590323e-01 4.74 -1.521473979e-01 -1.521473979e-01 4.76 -1.463223007e-01 -1.463223007e-01 4.78 -1.407608332e-01 -1.407608332e-01 4.80 -1.354412260e-01 -1.354412260e-01 4.82 -1.303434097e-01 -1.303434097e-01 4.84 -1.254490163e-01 -1.254490163e-01 4.86 -1.207417575e-01 -1.207417575e-01 4.88 -1.162074851e-01 -1.162074851e-01 4.90 -1.118342370e-01 -1.118342370e-01 4.92 -1.076122237e-01 -1.076122237e-01 4.94 -1.035337527e-01 -1.035337527e-01 4.96 -9.959308589e-02 -9.959308589e-02 4.98 -9.578622941e-02 -9.578622941e-02 5.00 -9.211065400e-02 -9.211065400e-02 5.02 -8.856495476e-02 -8.856495476e-02 5.04 -8.514846695e-02 -8.514846695e-02 5.06 -8.186086360e-02 -8.186086360e-02 5.08 -7.870171593e-02 -7.870171593e-02 5.10 -7.567013233e-02 -7.567013233e-02 5.12 -7.276475490e-02 -7.276475490e-02 5.14 -6.998336517e-02 -6.998336517e-02 5.16 -6.732278703e-02 -6.732278703e-02 5.18 -6.477889916e-02 -6.477889916e-02 5.20 -6.234672352e-02 -6.234672352e-02 5.22 -6.002056713e-02 -6.002056713e-02 5.24 -5.779419302e-02 -5.779419302e-02 5.26 -5.566099854e-02 -5.566099854e-02 5.28 -5.361418385e-02 -5.361418385e-02 5.30 -5.164689921e-02 -5.164689921e-02 5.32 -4.975236508e-02 -4.975236508e-02 5.34 -4.792396398e-02 -4.792396398e-02 5.36 -4.615530608e-02 -4.615530608e-02 5.38 -4.444027312e-02 -4.444027312e-02 5.40 -4.277304584e-02 -4.277304584e-02 5.42 -4.114812086e-02 -4.114812086e-02 5.44 -3.956032236e-02 -3.956032236e-02 5.46 -3.800481357e-02 -3.800481357e-02 5.48 -3.647711217e-02 -3.647711217e-02 5.50 -3.497311303e-02 -3.497311303e-02 5.52 -3.348912051e-02 -3.348912051e-02 5.54 -3.202189211e-02 -3.202189211e-02 5.56 -3.056869209e-02 -3.056869209e-02 5.58 -2.912735589e-02 -2.912735589e-02 5.60 -2.769636156e-02 -2.769636156e-02 5.62 -2.627490363e-02 -2.627490363e-02 5.64 -2.486296336e-02 -2.486296336e-02 5.66 -2.346136748e-02 -2.346136748e-02 5.68 -2.207182659e-02 -2.207182659e-02 5.70 -2.069694353e-02 -2.069694353e-02 5.72 -1.934018308e-02 -1.934018308e-02 5.74 -1.800579599e-02 -1.800579599e-02 5.76 -1.669868927e-02 -1.669868927e-02 5.78 -1.542401424e-02 -1.542401424e-02 5.80 -1.418739296e-02 -1.418739296e-02 5.82 -1.299464473e-02 -1.299464473e-02 5.84 -1.185134461e-02 -1.185134461e-02 5.86 -1.076257013e-02 -1.076257013e-02 5.88 -9.732675191e-03 -9.732675191e-03 5.90 -8.765108738e-03 -8.765108738e-03 5.92 -7.862290869e-03 -7.862290869e-03 5.94 -7.025552810e-03 -7.025552810e-03 5.96 -6.255140387e-03 -6.255140387e-03 5.98 -5.550274563e-03 -5.550274563e-03 6.00 -4.909258016e-03 -4.909258016e-03