# 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 = MoTiZr2 # 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 3.525615606e+02 3.525615606e+02 1.30 3.275887277e+02 3.275887277e+02 1.32 3.044362688e+02 3.044362688e+02 1.34 2.829557559e+02 2.829557559e+02 1.36 2.630112241e+02 2.630112241e+02 1.38 2.444792314e+02 2.444792314e+02 1.40 2.272482770e+02 2.272482770e+02 1.42 2.112171978e+02 2.112171978e+02 1.44 1.962936158e+02 1.962936158e+02 1.46 1.823933450e+02 1.823933450e+02 1.48 1.694403123e+02 1.694403123e+02 1.50 1.573660373e+02 1.573660373e+02 1.52 1.461086176e+02 1.461086176e+02 1.54 1.356117084e+02 1.356117084e+02 1.56 1.258239426e+02 1.258239426e+02 1.58 1.166986481e+02 1.166986481e+02 1.60 1.081932801e+02 1.081932801e+02 1.62 1.002683912e+02 1.002683912e+02 1.64 9.288654477e+01 9.288654477e+01 1.66 8.601157863e+01 8.601157863e+01 1.68 7.960839320e+01 7.960839320e+01 1.70 7.364328227e+01 7.364328227e+01 1.72 6.808440673e+01 6.808440673e+01 1.74 6.290219734e+01 6.290219734e+01 1.76 5.806947298e+01 5.806947298e+01 1.78 5.356134181e+01 5.356134181e+01 1.80 4.935493935e+01 4.935493935e+01 1.82 4.542918432e+01 4.542918432e+01 1.84 4.176449400e+01 4.176449400e+01 1.86 3.834271659e+01 3.834271659e+01 1.88 3.514713736e+01 3.514713736e+01 1.90 3.216251089e+01 3.216251089e+01 1.92 2.937496404e+01 2.937496404e+01 1.94 2.677180116e+01 2.677180116e+01 1.96 2.434124255e+01 2.434124255e+01 1.98 2.207233209e+01 2.207233209e+01 2.00 1.995550831e+01 1.995550831e+01 2.02 1.798170309e+01 1.798170309e+01 2.04 1.614342622e+01 1.614342622e+01 2.06 1.443187676e+01 1.443187676e+01 2.08 1.283844679e+01 1.283844679e+01 2.10 1.135490423e+01 1.135490423e+01 2.12 9.973449237e+00 9.973449237e+00 2.14 8.686790550e+00 8.686790550e+00 2.16 7.488232162e+00 7.488232162e+00 2.18 6.371699798e+00 6.371699798e+00 2.20 5.331716156e+00 5.331716156e+00 2.22 4.363303129e+00 4.363303129e+00 2.24 3.461886613e+00 3.461886613e+00 2.26 2.623230244e+00 2.623230244e+00 2.28 1.843391357e+00 1.843391357e+00 2.30 1.118738159e+00 1.118738159e+00 2.32 4.459017082e-01 4.459017082e-01 2.34 -1.782096151e-01 -1.782096151e-01 2.36 -7.564739125e-01 -7.564739125e-01 2.38 -1.291591798e+00 -1.291591798e+00 2.40 -1.786127636e+00 -1.786127636e+00 2.42 -2.242551198e+00 -2.242551198e+00 2.44 -2.663254722e+00 -2.663254722e+00 2.46 -3.050568688e+00 -3.050568688e+00 2.48 -3.406752180e+00 -3.406752180e+00 2.50 -3.733970406e+00 -3.733970406e+00 2.52 -4.034264572e+00 -4.034264572e+00 2.54 -4.309522243e+00 -4.309522243e+00 2.56 -4.561455843e+00 -4.561455843e+00 2.58 -4.791595599e+00 -4.791595599e+00 2.60 -5.001300029e+00 -5.001300029e+00 2.62 -5.191777977e+00 -5.191777977e+00 2.64 -5.364138388e+00 -5.364138388e+00 2.66 -5.519398297e+00 -5.519398297e+00 2.68 -5.658528868e+00 -5.658528868e+00 2.70 -5.782468544e+00 -5.782468544e+00 2.72 -5.892132197e+00 -5.892132197e+00 2.74 -5.988412293e+00 -5.988412293e+00 2.76 -6.072174096e+00 -6.072174096e+00 2.78 -6.144244959e+00 -6.144244959e+00 2.80 -6.205416320e+00 -6.205416320e+00 2.82 -6.256424360e+00 -6.256424360e+00 2.84 -6.298058995e+00 -6.298058995e+00 2.86 -6.330902030e+00 -6.330902030e+00 2.88 -6.355431833e+00 -6.355431833e+00 2.90 -6.372106792e+00 -6.372106792e+00 2.92 -6.381365330e+00 -6.381365330e+00 2.94 -6.383580332e+00 -6.383580332e+00 2.96 -6.379092809e+00 -6.379092809e+00 2.98 -6.368360404e+00 -6.368360404e+00 3.00 -6.351811221e+00 -6.351811221e+00 3.02 -6.329665787e+00 -6.329665787e+00 3.04 -6.301949712e+00 -6.301949712e+00 3.06 -6.268732195e+00 -6.268732195e+00 3.08 -6.230106179e+00 -6.230106179e+00 3.10 -6.186197949e+00 -6.186197949e+00 3.12 -6.137154622e+00 -6.137154622e+00 3.14 -6.083115947e+00 -6.083115947e+00 3.16 -6.024131988e+00 -6.024131988e+00 3.18 -5.960218385e+00 -5.960218385e+00 3.20 -5.891413151e+00 -5.891413151e+00 3.22 -5.817821545e+00 -5.817821545e+00 3.24 -5.739609552e+00 -5.739609552e+00 3.26 -5.656998898e+00 -5.656998898e+00 3.28 -5.570263424e+00 -5.570263424e+00 3.30 -5.479725133e+00 -5.479725133e+00 3.32 -5.385748244e+00 -5.385748244e+00 3.34 -5.288730512e+00 -5.288730512e+00 3.36 -5.189092457e+00 -5.189092457e+00 3.38 -5.087266285e+00 -5.087266285e+00 3.40 -4.983684795e+00 -4.983684795e+00 3.42 -4.878780948e+00 -4.878780948e+00 3.44 -4.772973045e+00 -4.772973045e+00 3.46 -4.666668869e+00 -4.666668869e+00 3.48 -4.560260622e+00 -4.560260622e+00 3.50 -4.454120958e+00 -4.454120958e+00 3.52 -4.348597893e+00 -4.348597893e+00 3.54 -4.244008929e+00 -4.244008929e+00 3.56 -4.140635115e+00 -4.140635115e+00 3.58 -4.038715877e+00 -4.038715877e+00 3.60 -3.938445437e+00 -3.938445437e+00 3.62 -3.839971396e+00 -3.839971396e+00 3.64 -3.743395811e+00 -3.743395811e+00 3.66 -3.648778735e+00 -3.648778735e+00 3.68 -3.556143871e+00 -3.556143871e+00 3.70 -3.465485790e+00 -3.465485790e+00 3.72 -3.376778027e+00 -3.376778027e+00 3.74 -3.289981443e+00 -3.289981443e+00 3.76 -3.205052240e+00 -3.205052240e+00 3.78 -3.121949151e+00 -3.121949151e+00 3.80 -3.040639288e+00 -3.040639288e+00 3.82 -2.961102192e+00 -2.961102192e+00 3.84 -2.883331655e+00 -2.883331655e+00 3.86 -2.807335042e+00 -2.807335042e+00 3.88 -2.733130171e+00 -2.733130171e+00 3.90 -2.660740202e+00 -2.660740202e+00 3.92 -2.590183972e+00 -2.590183972e+00 3.94 -2.521484350e+00 -2.521484350e+00 3.96 -2.454640312e+00 -2.454640312e+00 3.98 -2.389640128e+00 -2.389640128e+00 4.00 -2.326456330e+00 -2.326456330e+00 4.02 -2.265047048e+00 -2.265047048e+00 4.04 -2.205358827e+00 -2.205358827e+00 4.06 -2.147330186e+00 -2.147330186e+00 4.08 -2.090895240e+00 -2.090895240e+00 4.10 -2.035978246e+00 -2.035978246e+00 4.12 -1.982532488e+00 -1.982532488e+00 4.14 -1.930484753e+00 -1.930484753e+00 4.16 -1.879776747e+00 -1.879776747e+00 4.18 -1.830354880e+00 -1.830354880e+00 4.20 -1.782170341e+00 -1.782170341e+00 4.22 -1.735178874e+00 -1.735178874e+00 4.24 -1.689340384e+00 -1.689340384e+00 4.26 -1.644618464e+00 -1.644618464e+00 4.28 -1.600979906e+00 -1.600979906e+00 4.30 -1.558394246e+00 -1.558394246e+00 4.32 -1.516833363e+00 -1.516833363e+00 4.34 -1.476271139e+00 -1.476271139e+00 4.36 -1.436683185e+00 -1.436683185e+00 4.38 -1.398046606e+00 -1.398046606e+00 4.40 -1.360339822e+00 -1.360339822e+00 4.42 -1.323542393e+00 -1.323542393e+00 4.44 -1.287634871e+00 -1.287634871e+00 4.46 -1.252598656e+00 -1.252598656e+00 4.48 -1.218415840e+00 -1.218415840e+00 4.50 -1.185069071e+00 -1.185069071e+00 4.52 -1.152541405e+00 -1.152541405e+00 4.54 -1.120816174e+00 -1.120816174e+00 4.56 -1.089876864e+00 -1.089876864e+00 4.58 -1.059707009e+00 -1.059707009e+00 4.60 -1.030290110e+00 -1.030290110e+00 4.62 -1.001609572e+00 -1.001609572e+00 4.64 -9.736486659e-01 -9.736486659e-01 4.66 -9.463905196e-01 -9.463905196e-01 4.68 -9.198181235e-01 -9.198181235e-01 4.70 -8.939143647e-01 -8.939143647e-01 4.72 -8.686620784e-01 -8.686620784e-01 4.74 -8.440441196e-01 -8.440441196e-01 4.76 -8.200434516e-01 -8.200434516e-01 4.78 -7.966432516e-01 -7.966432516e-01 4.80 -7.738209065e-01 -7.738209065e-01 4.82 -7.515736784e-01 -7.515736784e-01 4.84 -7.298788110e-01 -7.298788110e-01 4.86 -7.087216680e-01 -7.087216680e-01 4.88 -6.880884910e-01 -6.880884910e-01 4.90 -6.679665154e-01 -6.679665154e-01 4.92 -6.483440508e-01 -6.483440508e-01 4.94 -6.292105093e-01 -6.292105093e-01 4.96 -6.105563644e-01 -6.105563644e-01 4.98 -5.923730291e-01 -5.923730291e-01 5.00 -5.746526476e-01 -5.746526476e-01 5.02 -5.573878076e-01 -5.573878076e-01 5.04 -5.405711925e-01 -5.405711925e-01 5.06 -5.241952030e-01 -5.241952030e-01 5.08 -5.082515904e-01 -5.082515904e-01 5.10 -4.927311401e-01 -4.927311401e-01 5.12 -4.776234461e-01 -4.776234461e-01 5.14 -4.629168019e-01 -4.629168019e-01 5.16 -4.485982205e-01 -4.485982205e-01 5.18 -4.346535827e-01 -4.346535827e-01 5.20 -4.210678990e-01 -4.210678990e-01 5.22 -4.078256607e-01 -4.078256607e-01 5.24 -3.949112539e-01 -3.949112539e-01 5.26 -3.823094088e-01 -3.823094088e-01 5.28 -3.700056569e-01 -3.700056569e-01 5.30 -3.579867729e-01 -3.579867729e-01 5.32 -3.462411780e-01 -3.462411780e-01 5.34 -3.347592837e-01 -3.347592837e-01 5.36 -3.235337511e-01 -3.235337511e-01 5.38 -3.125596466e-01 -3.125596466e-01 5.40 -3.018344691e-01 -3.018344691e-01 5.42 -2.913580369e-01 -2.913580369e-01 5.44 -2.811322236e-01 -2.811322236e-01 5.46 -2.711605513e-01 -2.711605513e-01 5.48 -2.614476607e-01 -2.614476607e-01 5.50 -2.519986976e-01 -2.519986976e-01 5.52 -2.428186657e-01 -2.428186657e-01 5.54 -2.339118059e-01 -2.339118059e-01 5.56 -2.252810598e-01 -2.252810598e-01 5.58 -2.169276680e-01 -2.169276680e-01 5.60 -2.088509345e-01 -2.088509345e-01 5.62 -2.010481693e-01 -2.010481693e-01 5.64 -1.935147986e-01 -1.935147986e-01 5.66 -1.862446110e-01 -1.862446110e-01 5.68 -1.792300977e-01 -1.792300977e-01 5.70 -1.724628349e-01 -1.724628349e-01 5.72 -1.659338611e-01 -1.659338611e-01 5.74 -1.596340078e-01 -1.596340078e-01 5.76 -1.535541516e-01 -1.535541516e-01 5.78 -1.476853724e-01 -1.476853724e-01 5.80 -1.420190139e-01 -1.420190139e-01 5.82 -1.365466393e-01 -1.365466393e-01 5.84 -1.312597056e-01 -1.312597056e-01 5.86 -1.261500095e-01 -1.261500095e-01 5.88 -1.212093011e-01 -1.212093011e-01 5.90 -1.164290194e-01 -1.164290194e-01 5.92 -1.118002110e-01 -1.118002110e-01 5.94 -1.073134992e-01 -1.073134992e-01 5.96 -1.029591138e-01 -1.029591138e-01 5.98 -9.872698142e-02 -9.872698142e-02 6.00 -9.460687082e-02 -9.460687082e-02