# 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 = AlTiW2 # 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 2.986268179e+02 2.986268179e+02 1.30 2.762565560e+02 2.762565560e+02 1.32 2.556005878e+02 2.556005878e+02 1.34 2.365081935e+02 2.365081935e+02 1.36 2.188414586e+02 2.188414586e+02 1.38 2.024768079e+02 2.024768079e+02 1.40 1.873050837e+02 1.873050837e+02 1.42 1.732298371e+02 1.732298371e+02 1.44 1.601648536e+02 1.601648536e+02 1.46 1.480321038e+02 1.480321038e+02 1.48 1.367607409e+02 1.367607409e+02 1.50 1.262869616e+02 1.262869616e+02 1.52 1.165539099e+02 1.165539099e+02 1.54 1.075110016e+02 1.075110016e+02 1.56 9.911279655e+01 9.911279655e+01 1.58 9.131781527e+01 9.131781527e+01 1.60 8.408745811e+01 8.408745811e+01 1.62 7.738504852e+01 7.738504852e+01 1.64 7.117506772e+01 7.117506772e+01 1.66 6.542268894e+01 6.542268894e+01 1.68 6.009372760e+01 6.009372760e+01 1.70 5.515503401e+01 5.515503401e+01 1.72 5.057515388e+01 5.057515388e+01 1.74 4.632495564e+01 4.632495564e+01 1.76 4.237799766e+01 4.237799766e+01 1.78 3.871060082e+01 3.871060082e+01 1.80 3.530172903e+01 3.530172903e+01 1.82 3.213278033e+01 3.213278033e+01 1.84 2.918731706e+01 2.918731706e+01 1.86 2.645116568e+01 2.645116568e+01 1.88 2.391208517e+01 2.391208517e+01 1.90 2.155792079e+01 2.155792079e+01 1.92 1.937726330e+01 1.937726330e+01 1.94 1.735921150e+01 1.735921150e+01 1.96 1.549424834e+01 1.549424834e+01 1.98 1.377185129e+01 1.377185129e+01 2.00 1.218158224e+01 1.218158224e+01 2.02 1.071351853e+01 1.071351853e+01 2.04 9.358269228e+00 9.358269228e+00 2.06 8.106935429e+00 8.106935429e+00 2.08 6.951055585e+00 6.951055585e+00 2.10 5.882580579e+00 5.882580579e+00 2.12 4.893903108e+00 4.893903108e+00 2.14 3.977936553e+00 3.977936553e+00 2.16 3.128217340e+00 3.128217340e+00 2.18 2.338993743e+00 2.338993743e+00 2.20 1.605267776e+00 1.605267776e+00 2.22 9.227722148e-01 9.227722148e-01 2.24 2.878877594e-01 2.878877594e-01 2.26 -3.024767287e-01 -3.024767287e-01 2.28 -8.510110838e-01 -8.510110838e-01 2.30 -1.360112414e+00 -1.360112414e+00 2.32 -1.831962963e+00 -1.831962963e+00 2.34 -2.268576205e+00 -2.268576205e+00 2.36 -2.671822932e+00 -2.671822932e+00 2.38 -3.043449569e+00 -3.043449569e+00 2.40 -3.385097988e+00 -3.385097988e+00 2.42 -3.698327813e+00 -3.698327813e+00 2.44 -3.984637117e+00 -3.984637117e+00 2.46 -4.245477545e+00 -4.245477545e+00 2.48 -4.482261946e+00 -4.482261946e+00 2.50 -4.696357311e+00 -4.696357311e+00 2.52 -4.888947510e+00 -4.888947510e+00 2.54 -5.061393496e+00 -5.061393496e+00 2.56 -5.215090587e+00 -5.215090587e+00 2.58 -5.351366315e+00 -5.351366315e+00 2.60 -5.471477107e+00 -5.471477107e+00 2.62 -5.576598259e+00 -5.576598259e+00 2.64 -5.667808870e+00 -5.667808870e+00 2.66 -5.746074909e+00 -5.746074909e+00 2.68 -5.812011876e+00 -5.812011876e+00 2.70 -5.865736114e+00 -5.865736114e+00 2.72 -5.907351887e+00 -5.907351887e+00 2.74 -5.937009872e+00 -5.937009872e+00 2.76 -5.954908348e+00 -5.954908348e+00 2.78 -5.961293725e+00 -5.961293725e+00 2.80 -5.956460062e+00 -5.956460062e+00 2.82 -5.940748202e+00 -5.940748202e+00 2.84 -5.914546634e+00 -5.914546634e+00 2.86 -5.878304502e+00 -5.878304502e+00 2.88 -5.832561539e+00 -5.832561539e+00 2.90 -5.777846426e+00 -5.777846426e+00 2.92 -5.714761699e+00 -5.714761699e+00 2.94 -5.644004667e+00 -5.644004667e+00 2.96 -5.566369802e+00 -5.566369802e+00 2.98 -5.482743566e+00 -5.482743566e+00 3.00 -5.394101492e+00 -5.394101492e+00 3.02 -5.302138158e+00 -5.302138158e+00 3.04 -5.207962289e+00 -5.207962289e+00 3.06 -5.112101863e+00 -5.112101863e+00 3.08 -5.015042915e+00 -5.015042915e+00 3.10 -4.917199905e+00 -4.917199905e+00 3.12 -4.818879081e+00 -4.818879081e+00 3.14 -4.720259779e+00 -4.720259779e+00 3.16 -4.621399773e+00 -4.621399773e+00 3.18 -4.522262977e+00 -4.522262977e+00 3.20 -4.422718080e+00 -4.422718080e+00 3.22 -4.322561068e+00 -4.322561068e+00 3.24 -4.221544102e+00 -4.221544102e+00 3.26 -4.119403511e+00 -4.119403511e+00 3.28 -4.015885885e+00 -4.015885885e+00 3.30 -3.910771999e+00 -3.910771999e+00 3.32 -3.803898596e+00 -3.803898596e+00 3.34 -3.695177909e+00 -3.695177909e+00 3.36 -3.584614475e+00 -3.584614475e+00 3.38 -3.472318344e+00 -3.472318344e+00 3.40 -3.358513421e+00 -3.358513421e+00 3.42 -3.243539646e+00 -3.243539646e+00 3.44 -3.127847639e+00 -3.127847639e+00 3.46 -3.011985475e+00 -3.011985475e+00 3.48 -2.896577581e+00 -2.896577581e+00 3.50 -2.782297025e+00 -2.782297025e+00 3.52 -2.669833277e+00 -2.669833277e+00 3.54 -2.559858171e+00 -2.559858171e+00 3.56 -2.452993170e+00 -2.452993170e+00 3.58 -2.349780891e+00 -2.349780891e+00 3.60 -2.250663371e+00 -2.250663371e+00 3.62 -2.155968744e+00 -2.155968744e+00 3.64 -2.065906865e+00 -2.065906865e+00 3.66 -1.980573325e+00 -1.980573325e+00 3.68 -1.899960329e+00 -1.899960329e+00 3.70 -1.823972281e+00 -1.823972281e+00 3.72 -1.752443790e+00 -1.752443790e+00 3.74 -1.685158032e+00 -1.685158032e+00 3.76 -1.621863906e+00 -1.621863906e+00 3.78 -1.562290959e+00 -1.562290959e+00 3.80 -1.506161626e+00 -1.506161626e+00 3.82 -1.453200685e+00 -1.453200685e+00 3.84 -1.403142136e+00 -1.403142136e+00 3.86 -1.355733835e+00 -1.355733835e+00 3.88 -1.310740291e+00 -1.310740291e+00 3.90 -1.267944036e+00 -1.267944036e+00 3.92 -1.227145892e+00 -1.227145892e+00 3.94 -1.188164650e+00 -1.188164650e+00 3.96 -1.150835962e+00 -1.150835962e+00 3.98 -1.115011279e+00 -1.115011279e+00 4.00 -1.080556520e+00 -1.080556520e+00 4.02 -1.047350787e+00 -1.047350787e+00 4.04 -1.015285189e+00 -1.015285189e+00 4.06 -9.842618312e-01 -9.842618312e-01 4.08 -9.541930157e-01 -9.541930157e-01 4.10 -9.250005755e-01 -9.250005755e-01 4.12 -8.966159395e-01 -8.966159395e-01 4.14 -8.689793735e-01 -8.689793735e-01 4.16 -8.420404729e-01 -8.420404729e-01 4.18 -8.157581898e-01 -8.157581898e-01 4.20 -7.901009836e-01 -7.901009836e-01 4.22 -7.650468583e-01 -7.650468583e-01 4.24 -7.405831576e-01 -7.405831576e-01 4.26 -7.167059948e-01 -7.167059948e-01 4.28 -6.934192281e-01 -6.934192281e-01 4.30 -6.707329437e-01 -6.707329437e-01 4.32 -6.486614866e-01 -6.486614866e-01 4.34 -6.272211612e-01 -6.272211612e-01 4.36 -6.064277905e-01 -6.064277905e-01 4.38 -5.862943675e-01 -5.862943675e-01 4.40 -5.668290291e-01 -5.668290291e-01 4.42 -5.480335371e-01 -5.480335371e-01 4.44 -5.299023790e-01 -5.299023790e-01 4.46 -5.124225056e-01 -5.124225056e-01 4.48 -4.955736441e-01 -4.955736441e-01 4.50 -4.793290609e-01 -4.793290609e-01 4.52 -4.636566226e-01 -4.636566226e-01 4.54 -4.485200023e-01 -4.485200023e-01 4.56 -4.338798999e-01 -4.338798999e-01 4.58 -4.196951868e-01 -4.196951868e-01 4.60 -4.059239191e-01 -4.059239191e-01 4.62 -3.925240802e-01 -3.925240802e-01 4.64 -3.794543566e-01 -3.794543566e-01 4.66 -3.666752093e-01 -3.666752093e-01 4.68 -3.541488719e-01 -3.541488719e-01 4.70 -3.418398599e-01 -3.418398599e-01 4.72 -3.297154872e-01 -3.297154872e-01 4.74 -3.177463913e-01 -3.177463913e-01 4.76 -3.059070905e-01 -3.059070905e-01 4.78 -2.941765839e-01 -2.941765839e-01 4.80 -2.825389345e-01 -2.825389345e-01 4.82 -2.709841034e-01 -2.709841034e-01 4.84 -2.595082320e-01 -2.595082320e-01 4.86 -2.481143461e-01 -2.481143461e-01 4.88 -2.368126065e-01 -2.368126065e-01 4.90 -2.256203570e-01 -2.256203570e-01 4.92 -2.145618435e-01 -2.145618435e-01 4.94 -2.036675475e-01 -2.036675475e-01 4.96 -1.929731117e-01 -1.929731117e-01 4.98 -1.825178863e-01 -1.825178863e-01 5.00 -1.723431567e-01 -1.723431567e-01 5.02 -1.624901702e-01 -1.624901702e-01 5.04 -1.529981066e-01 -1.529981066e-01 5.06 -1.439021595e-01 -1.439021595e-01 5.08 -1.352318252e-01 -1.352318252e-01 5.10 -1.270096227e-01 -1.270096227e-01 5.12 -1.192506534e-01 -1.192506534e-01 5.14 -1.119620651e-01 -1.119620651e-01 5.16 -1.051432394e-01 -1.051432394e-01 5.18 -9.878640790e-02 -9.878640790e-02 5.20 -9.287757022e-02 -9.287757022e-02 5.22 -8.739759951e-02 -8.739759951e-02 5.24 -8.232342391e-02 -8.232342391e-02 5.26 -7.762918992e-02 -7.762918992e-02 5.28 -7.328733630e-02 -7.328733630e-02 5.30 -6.926953191e-02 -6.926953191e-02 5.32 -6.554745375e-02 -6.554745375e-02 5.34 -6.209340063e-02 -6.209340063e-02 5.36 -5.888075108e-02 -5.888075108e-02 5.38 -5.588428348e-02 -5.588428348e-02 5.40 -5.308038059e-02 -5.308038059e-02 5.42 -5.044714242e-02 -5.044714242e-02 5.44 -4.796443022e-02 -4.796443022e-02 5.46 -4.561386264e-02 -4.561386264e-02 5.48 -4.337878178e-02 -4.337878178e-02 5.50 -4.124420378e-02 -4.124420378e-02 5.52 -3.919676560e-02 -3.919676560e-02 5.54 -3.722467604e-02 -3.722467604e-02 5.56 -3.531767650e-02 -3.531767650e-02 5.58 -3.346701369e-02 -3.346701369e-02 5.60 -3.166542355e-02 -3.166542355e-02 5.62 -2.990712386e-02 -2.990712386e-02 5.64 -2.818780924e-02 -2.818780924e-02 5.66 -2.650464056e-02 -2.650464056e-02 5.68 -2.485621908e-02 -2.485621908e-02 5.70 -2.324253506e-02 -2.324253506e-02 5.72 -2.166488089e-02 -2.166488089e-02 5.74 -2.012572082e-02 -2.012572082e-02 5.76 -1.862851320e-02 -1.862851320e-02 5.78 -1.717741476e-02 -1.717741476e-02 5.80 -1.577702720e-02 -1.577702720e-02 5.82 -1.443236626e-02 -1.443236626e-02 5.84 -1.314835468e-02 -1.314835468e-02 5.86 -1.192952028e-02 -1.192952028e-02 5.88 -1.077973480e-02 -1.077973480e-02 5.90 -9.702002981e-03 -9.702002981e-03 5.92 -8.698315218e-03 -8.698315218e-03 5.94 -7.769570551e-03 -7.769570551e-03 5.96 -6.915569357e-03 -6.915569357e-03 5.98 -6.135068808e-03 -6.135068808e-03 6.00 -5.425889132e-03 -5.425889132e-03