# 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 = FeNiZr2 # 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 2.518057477e+02 2.518057477e+02 1.30 2.323714686e+02 2.323714686e+02 1.32 2.144132745e+02 2.144132745e+02 1.34 1.978076003e+02 1.978076003e+02 1.36 1.824444073e+02 1.824444073e+02 1.38 1.682261762e+02 1.682261762e+02 1.40 1.550660454e+02 1.550660454e+02 1.42 1.428852399e+02 1.428852399e+02 1.44 1.316109405e+02 1.316109405e+02 1.46 1.211756235e+02 1.211756235e+02 1.48 1.115173314e+02 1.115173314e+02 1.50 1.025793951e+02 1.025793951e+02 1.52 9.430930849e+01 9.430930849e+01 1.54 8.665754782e+01 8.665754782e+01 1.56 7.957711840e+01 7.957711840e+01 1.58 7.302390587e+01 7.302390587e+01 1.60 6.695712597e+01 6.695712597e+01 1.62 6.133939561e+01 6.133939561e+01 1.64 5.613645121e+01 5.613645121e+01 1.66 5.131676761e+01 5.131676761e+01 1.68 4.685123942e+01 4.685123942e+01 1.70 4.271308440e+01 4.271308440e+01 1.72 3.887772897e+01 3.887772897e+01 1.74 3.532268690e+01 3.532268690e+01 1.76 3.202738862e+01 3.202738862e+01 1.78 2.897305556e+01 2.897305556e+01 1.80 2.614251493e+01 2.614251493e+01 1.82 2.352000154e+01 2.352000154e+01 1.84 2.109080379e+01 2.109080379e+01 1.86 1.884110879e+01 1.884110879e+01 1.88 1.675833203e+01 1.675833203e+01 1.90 1.483136108e+01 1.483136108e+01 1.92 1.304913474e+01 1.304913474e+01 1.94 1.140139460e+01 1.140139460e+01 1.96 9.878531163e+00 9.878531163e+00 1.98 8.471613071e+00 8.471613071e+00 2.00 7.172292293e+00 7.172292293e+00 2.02 5.972796071e+00 5.972796071e+00 2.04 4.865913790e+00 4.865913790e+00 2.06 3.844957619e+00 3.844957619e+00 2.08 2.903701003e+00 2.903701003e+00 2.10 2.036328830e+00 2.036328830e+00 2.12 1.237428735e+00 1.237428735e+00 2.14 5.019982995e-01 5.019982995e-01 2.16 -1.745206281e-01 -1.745206281e-01 2.18 -7.962560683e-01 -7.962560683e-01 2.20 -1.366955833e+00 -1.366955833e+00 2.22 -1.890090142e+00 -1.890090142e+00 2.24 -2.368927452e+00 -2.368927452e+00 2.26 -2.806563662e+00 -2.806563662e+00 2.28 -3.205925057e+00 -3.205925057e+00 2.30 -3.569714910e+00 -3.569714910e+00 2.32 -3.900443914e+00 -3.900443914e+00 2.34 -4.200396074e+00 -4.200396074e+00 2.36 -4.471686992e+00 -4.471686992e+00 2.38 -4.716285856e+00 -4.716285856e+00 2.40 -4.936042678e+00 -4.936042678e+00 2.42 -5.132720407e+00 -5.132720407e+00 2.44 -5.308009941e+00 -5.308009941e+00 2.46 -5.463552683e+00 -5.463552683e+00 2.48 -5.600940761e+00 -5.600940761e+00 2.50 -5.721703504e+00 -5.721703504e+00 2.52 -5.827282840e+00 -5.827282840e+00 2.54 -5.919005754e+00 -5.919005754e+00 2.56 -5.998062415e+00 -5.998062415e+00 2.58 -6.065497029e+00 -6.065497029e+00 2.60 -6.122214681e+00 -6.122214681e+00 2.62 -6.168997959e+00 -6.168997959e+00 2.64 -6.206586131e+00 -6.206586131e+00 2.66 -6.235707246e+00 -6.235707246e+00 2.68 -6.256827749e+00 -6.256827749e+00 2.70 -6.270394350e+00 -6.270394350e+00 2.72 -6.276861721e+00 -6.276861721e+00 2.74 -6.276685217e+00 -6.276685217e+00 2.76 -6.270309329e+00 -6.270309329e+00 2.78 -6.258151569e+00 -6.258151569e+00 2.80 -6.240583150e+00 -6.240583150e+00 2.82 -6.217702613e+00 -6.217702613e+00 2.84 -6.189488308e+00 -6.189488308e+00 2.86 -6.155958812e+00 -6.155958812e+00 2.88 -6.117174072e+00 -6.117174072e+00 2.90 -6.073235926e+00 -6.073235926e+00 2.92 -6.024286719e+00 -6.024286719e+00 2.94 -5.970510058e+00 -5.970510058e+00 2.96 -5.912126814e+00 -5.912126814e+00 2.98 -5.849388753e+00 -5.849388753e+00 3.00 -5.782570895e+00 -5.782570895e+00 3.02 -5.711963679e+00 -5.711963679e+00 3.04 -5.637861285e+00 -5.637861285e+00 3.06 -5.560576178e+00 -5.560576178e+00 3.08 -5.480367428e+00 -5.480367428e+00 3.10 -5.397453423e+00 -5.397453423e+00 3.12 -5.312066160e+00 -5.312066160e+00 3.14 -5.224470407e+00 -5.224470407e+00 3.16 -5.134935140e+00 -5.134935140e+00 3.18 -5.043753928e+00 -5.043753928e+00 3.20 -4.951238787e+00 -4.951238787e+00 3.22 -4.857717156e+00 -4.857717156e+00 3.24 -4.763528546e+00 -4.763528546e+00 3.26 -4.669020982e+00 -4.669020982e+00 3.28 -4.574546586e+00 -4.574546586e+00 3.30 -4.480455101e+00 -4.480455101e+00 3.32 -4.387061896e+00 -4.387061896e+00 3.34 -4.294598322e+00 -4.294598322e+00 3.36 -4.203264273e+00 -4.203264273e+00 3.38 -4.113229251e+00 -4.113229251e+00 3.40 -4.024620794e+00 -4.024620794e+00 3.42 -3.937527986e+00 -3.937527986e+00 3.44 -3.851988998e+00 -3.851988998e+00 3.46 -3.768004943e+00 -3.768004943e+00 3.48 -3.685544635e+00 -3.685544635e+00 3.50 -3.604552842e+00 -3.604552842e+00 3.52 -3.524958341e+00 -3.524958341e+00 3.54 -3.446681060e+00 -3.446681060e+00 3.56 -3.369637932e+00 -3.369637932e+00 3.58 -3.293747417e+00 -3.293747417e+00 3.60 -3.218932758e+00 -3.218932758e+00 3.62 -3.145124174e+00 -3.145124174e+00 3.64 -3.072260219e+00 -3.072260219e+00 3.66 -3.000288598e+00 -3.000288598e+00 3.68 -2.929166751e+00 -2.929166751e+00 3.70 -2.858862473e+00 -2.858862473e+00 3.72 -2.789354835e+00 -2.789354835e+00 3.74 -2.720635512e+00 -2.720635512e+00 3.76 -2.652710495e+00 -2.652710495e+00 3.78 -2.585601947e+00 -2.585601947e+00 3.80 -2.519349736e+00 -2.519349736e+00 3.82 -2.454012033e+00 -2.454012033e+00 3.84 -2.389664298e+00 -2.389664298e+00 3.86 -2.326396132e+00 -2.326396132e+00 3.88 -2.264305861e+00 -2.264305861e+00 3.90 -2.203493221e+00 -2.203493221e+00 3.92 -2.144047459e+00 -2.144047459e+00 3.94 -2.086054636e+00 -2.086054636e+00 3.96 -2.029567214e+00 -2.029567214e+00 3.98 -1.974617340e+00 -1.974617340e+00 4.00 -1.921211507e+00 -1.921211507e+00 4.02 -1.869332413e+00 -1.869332413e+00 4.04 -1.818942777e+00 -1.818942777e+00 4.06 -1.769990192e+00 -1.769990192e+00 4.08 -1.722412171e+00 -1.722412171e+00 4.10 -1.676133226e+00 -1.676133226e+00 4.12 -1.631100241e+00 -1.631100241e+00 4.14 -1.587235601e+00 -1.587235601e+00 4.16 -1.544474167e+00 -1.544474167e+00 4.18 -1.502755231e+00 -1.502755231e+00 4.20 -1.462023185e+00 -1.462023185e+00 4.22 -1.422227813e+00 -1.422227813e+00 4.24 -1.383324344e+00 -1.383324344e+00 4.26 -1.345273424e+00 -1.345273424e+00 4.28 -1.308041066e+00 -1.308041066e+00 4.30 -1.271598648e+00 -1.271598648e+00 4.32 -1.235922967e+00 -1.235922967e+00 4.34 -1.200996344e+00 -1.200996344e+00 4.36 -1.166806714e+00 -1.166806714e+00 4.38 -1.133347644e+00 -1.133347644e+00 4.40 -1.100618194e+00 -1.100618194e+00 4.42 -1.068622526e+00 -1.068622526e+00 4.44 -1.037369215e+00 -1.037369215e+00 4.46 -1.006870218e+00 -1.006870218e+00 4.48 -9.771395433e-01 -9.771395433e-01 4.50 -9.481916911e-01 -9.481916911e-01 4.52 -9.200400077e-01 -9.200400077e-01 4.54 -8.926951121e-01 -8.926951121e-01 4.56 -8.661635591e-01 -8.661635591e-01 4.58 -8.404468722e-01 -8.404468722e-01 4.60 -8.155410248e-01 -8.155410248e-01 4.62 -7.914363821e-01 -7.914363821e-01 4.64 -7.681180557e-01 -7.681180557e-01 4.66 -7.455665785e-01 -7.455665785e-01 4.68 -7.237587834e-01 -7.237587834e-01 4.70 -7.026687699e-01 -7.026687699e-01 4.72 -6.822688576e-01 -6.822688576e-01 4.74 -6.625304527e-01 -6.625304527e-01 4.76 -6.434247814e-01 -6.434247814e-01 4.78 -6.249234694e-01 -6.249234694e-01 4.80 -6.069927639e-01 -6.069927639e-01 4.82 -5.896196870e-01 -5.896196870e-01 4.84 -5.727716385e-01 -5.727716385e-01 4.86 -5.564248363e-01 -5.564248363e-01 4.88 -5.405568373e-01 -5.405568373e-01 4.90 -5.251464850e-01 -5.251464850e-01 4.92 -5.101738222e-01 -5.101738222e-01 4.94 -4.956199844e-01 -4.956199844e-01 4.96 -4.814670832e-01 -4.814670832e-01 4.98 -4.676980894e-01 -4.676980894e-01 5.00 -4.542967199e-01 -4.542967199e-01 5.02 -4.412473349e-01 -4.412473349e-01 5.04 -4.285348465e-01 -4.285348465e-01 5.06 -4.161446433e-01 -4.161446433e-01 5.08 -4.040625323e-01 -4.040625323e-01 5.10 -3.922747003e-01 -3.922747003e-01 5.12 -3.807676982e-01 -3.807676982e-01 5.14 -3.695284492e-01 -3.695284492e-01 5.16 -3.585442856e-01 -3.585442856e-01 5.18 -3.478030147e-01 -3.478030147e-01 5.20 -3.372930175e-01 -3.372930175e-01 5.22 -3.270033803e-01 -3.270033803e-01 5.24 -3.169240602e-01 -3.169240602e-01 5.26 -3.070460790e-01 -3.070460790e-01 5.28 -2.973617429e-01 -2.973617429e-01 5.30 -2.878648727e-01 -2.878648727e-01 5.32 -2.785510338e-01 -2.785510338e-01 5.34 -2.694177408e-01 -2.694177408e-01 5.36 -2.604646148e-01 -2.604646148e-01 5.38 -2.516934639e-01 -2.516934639e-01 5.40 -2.431082600e-01 -2.431082600e-01 5.42 -2.347149895e-01 -2.347149895e-01 5.44 -2.265213627e-01 -2.265213627e-01 5.46 -2.185363851e-01 -2.185363851e-01 5.48 -2.107698020e-01 -2.107698020e-01 5.50 -2.032314563e-01 -2.032314563e-01 5.52 -1.959306052e-01 -1.959306052e-01 5.54 -1.888752535e-01 -1.888752535e-01 5.56 -1.820715632e-01 -1.820715632e-01 5.58 -1.755233884e-01 -1.755233884e-01 5.60 -1.692317425e-01 -1.692317425e-01 5.62 -1.631950133e-01 -1.631950133e-01 5.64 -1.574092362e-01 -1.574092362e-01 5.66 -1.518678711e-01 -1.518678711e-01 5.68 -1.465621245e-01 -1.465621245e-01 5.70 -1.414813468e-01 -1.414813468e-01 5.72 -1.366134588e-01 -1.366134588e-01 5.74 -1.319453744e-01 -1.319453744e-01 5.76 -1.274633902e-01 -1.274633902e-01 5.78 -1.231535253e-01 -1.231535253e-01 5.80 -1.190018021e-01 -1.190018021e-01 5.82 -1.149944667e-01 -1.149944667e-01 5.84 -1.111181534e-01 -1.111181534e-01 5.86 -1.073600000e-01 -1.073600000e-01 5.88 -1.037077243e-01 -1.037077243e-01 5.90 -1.001496717e-01 -1.001496717e-01 5.92 -9.667484333e-02 -9.667484333e-02 5.94 -9.327291415e-02 -9.327291415e-02 5.96 -8.993424934e-02 -8.993424934e-02 5.98 -8.664992470e-02 -8.664992470e-02 6.00 -8.341175702e-02 -8.341175702e-02