# 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 = Co2TaTi # 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 2.187980231e+02 2.187980231e+02 1.30 2.016742121e+02 2.016742121e+02 1.32 1.858745702e+02 1.858745702e+02 1.34 1.712878833e+02 1.712878833e+02 1.36 1.578145542e+02 1.578145542e+02 1.38 1.453655917e+02 1.453655917e+02 1.40 1.338610056e+02 1.338610056e+02 1.42 1.232280860e+02 1.232280860e+02 1.44 1.133997909e+02 1.133997909e+02 1.46 1.043135666e+02 1.043135666e+02 1.48 9.591070162e+01 9.591070162e+01 1.50 8.813603199e+01 8.813603199e+01 1.52 8.093791222e+01 8.093791222e+01 1.54 7.426855660e+01 7.426855660e+01 1.56 6.808464566e+01 6.808464566e+01 1.58 6.234771034e+01 6.234771034e+01 1.60 5.702390291e+01 5.702390291e+01 1.62 5.208325233e+01 5.208325233e+01 1.64 4.749877272e+01 4.749877272e+01 1.66 4.324570932e+01 4.324570932e+01 1.68 3.930104410e+01 3.930104410e+01 1.70 3.564325270e+01 3.564325270e+01 1.72 3.225220684e+01 3.225220684e+01 1.74 2.910911444e+01 2.910911444e+01 1.76 2.619665798e+01 2.619665798e+01 1.78 2.350236233e+01 2.350236233e+01 1.80 2.101226393e+01 2.101226393e+01 1.82 1.871217208e+01 1.871217208e+01 1.84 1.658935093e+01 1.658935093e+01 1.86 1.463279285e+01 1.463279285e+01 1.88 1.283114521e+01 1.283114521e+01 1.90 1.117361119e+01 1.117361119e+01 1.92 9.649850676e+00 9.649850676e+00 1.94 8.249878958e+00 8.249878958e+00 1.96 6.964054544e+00 6.964054544e+00 1.98 5.783148322e+00 5.783148322e+00 2.00 4.698458736e+00 4.698458736e+00 2.02 3.701933575e+00 3.701933575e+00 2.04 2.786265752e+00 2.786265752e+00 2.06 1.944939901e+00 1.944939901e+00 2.08 1.172220985e+00 1.172220985e+00 2.10 4.630898049e-01 4.630898049e-01 2.12 -1.868605291e-01 -1.868605291e-01 2.14 -7.815458421e-01 -7.815458421e-01 2.16 -1.324505314e+00 -1.324505314e+00 2.18 -1.818993176e+00 -1.818993176e+00 2.20 -2.268046634e+00 -2.268046634e+00 2.22 -2.674539822e+00 -2.674539822e+00 2.24 -3.041231441e+00 -3.041231441e+00 2.26 -3.370805968e+00 -3.370805968e+00 2.28 -3.665902640e+00 -3.665902640e+00 2.30 -3.929126317e+00 -3.929126317e+00 2.32 -4.163039431e+00 -4.163039431e+00 2.34 -4.370136311e+00 -4.370136311e+00 2.36 -4.552806694e+00 -4.552806694e+00 2.38 -4.713296078e+00 -4.713296078e+00 2.40 -4.853662813e+00 -4.853662813e+00 2.42 -4.975638685e+00 -4.975638685e+00 2.44 -5.081013889e+00 -5.081013889e+00 2.46 -5.171434034e+00 -5.171434034e+00 2.48 -5.248318508e+00 -5.248318508e+00 2.50 -5.312898609e+00 -5.312898609e+00 2.52 -5.366257010e+00 -5.366257010e+00 2.54 -5.409317037e+00 -5.409317037e+00 2.56 -5.442666895e+00 -5.442666895e+00 2.58 -5.466840101e+00 -5.466840101e+00 2.60 -5.482422554e+00 -5.482422554e+00 2.62 -5.490021322e+00 -5.490021322e+00 2.64 -5.490248430e+00 -5.490248430e+00 2.66 -5.483704687e+00 -5.483704687e+00 2.68 -5.470837005e+00 -5.470837005e+00 2.70 -5.452041771e+00 -5.452041771e+00 2.72 -5.427694479e+00 -5.427694479e+00 2.74 -5.398200260e+00 -5.398200260e+00 2.76 -5.363822128e+00 -5.363822128e+00 2.78 -5.324802019e+00 -5.324802019e+00 2.80 -5.281372082e+00 -5.281372082e+00 2.82 -5.233678739e+00 -5.233678739e+00 2.84 -5.181860920e+00 -5.181860920e+00 2.86 -5.126088490e+00 -5.126088490e+00 2.88 -5.066557641e+00 -5.066557641e+00 2.90 -5.003480270e+00 -5.003480270e+00 2.92 -4.937012883e+00 -4.937012883e+00 2.94 -4.867291474e+00 -4.867291474e+00 2.96 -4.794483960e+00 -4.794483960e+00 2.98 -4.718786008e+00 -4.718786008e+00 3.00 -4.640416938e+00 -4.640416938e+00 3.02 -4.559614924e+00 -4.559614924e+00 3.04 -4.476629634e+00 -4.476629634e+00 3.06 -4.391711924e+00 -4.391711924e+00 3.08 -4.305101026e+00 -4.305101026e+00 3.10 -4.217013547e+00 -4.217013547e+00 3.12 -4.127636644e+00 -4.127636644e+00 3.14 -4.037128007e+00 -4.037128007e+00 3.16 -3.945621967e+00 -3.945621967e+00 3.18 -3.853240448e+00 -3.853240448e+00 3.20 -3.760105508e+00 -3.760105508e+00 3.22 -3.666351125e+00 -3.666351125e+00 3.24 -3.572132305e+00 -3.572132305e+00 3.26 -3.477630373e+00 -3.477630373e+00 3.28 -3.383053906e+00 -3.383053906e+00 3.30 -3.288635319e+00 -3.288635319e+00 3.32 -3.194623535e+00 -3.194623535e+00 3.34 -3.101273671e+00 -3.101273671e+00 3.36 -3.008835040e+00 -3.008835040e+00 3.38 -2.917539010e+00 -2.917539010e+00 3.40 -2.827588263e+00 -2.827588263e+00 3.42 -2.739148822e+00 -2.739148822e+00 3.44 -2.652345431e+00 -2.652345431e+00 3.46 -2.567260788e+00 -2.567260788e+00 3.48 -2.483937996e+00 -2.483937996e+00 3.50 -2.402385447e+00 -2.402385447e+00 3.52 -2.322583032e+00 -2.322583032e+00 3.54 -2.244488585e+00 -2.244488585e+00 3.56 -2.168043809e+00 -2.168043809e+00 3.58 -2.093179366e+00 -2.093179366e+00 3.60 -2.019819324e+00 -2.019819324e+00 3.62 -1.947885442e+00 -1.947885442e+00 3.64 -1.877301836e+00 -1.877301836e+00 3.66 -1.808000279e+00 -1.808000279e+00 3.68 -1.739926006e+00 -1.739926006e+00 3.70 -1.673043493e+00 -1.673043493e+00 3.72 -1.607341453e+00 -1.607341453e+00 3.74 -1.542836292e+00 -1.542836292e+00 3.76 -1.479573410e+00 -1.479573410e+00 3.78 -1.417626021e+00 -1.417626021e+00 3.80 -1.357091475e+00 -1.357091475e+00 3.82 -1.298085376e+00 -1.298085376e+00 3.84 -1.240734044e+00 -1.240734044e+00 3.86 -1.185166053e+00 -1.185166053e+00 3.88 -1.131503667e+00 -1.131503667e+00 3.90 -1.079854953e+00 -1.079854953e+00 3.92 -1.030307216e+00 -1.030307216e+00 3.94 -9.829224003e-01 -9.829224003e-01 3.96 -9.377342213e-01 -9.377342213e-01 3.98 -8.947476584e-01 -8.947476584e-01 4.00 -8.539400990e-01 -8.539400990e-01 4.02 -8.152639881e-01 -8.152639881e-01 4.04 -7.786505239e-01 -7.786505239e-01 4.06 -7.440139697e-01 -7.440139697e-01 4.08 -7.112561956e-01 -7.112561956e-01 4.10 -6.802710785e-01 -6.802710785e-01 4.12 -6.509488955e-01 -6.509488955e-01 4.14 -6.231796188e-01 -6.231796188e-01 4.16 -5.968563196e-01 -5.968563196e-01 4.18 -5.718776212e-01 -5.718776212e-01 4.20 -5.481495922e-01 -5.481495922e-01 4.22 -5.255869859e-01 -5.255869859e-01 4.24 -5.041138163e-01 -5.041138163e-01 4.26 -4.836632761e-01 -4.836632761e-01 4.28 -4.641770407e-01 -4.641770407e-01 4.30 -4.456040559e-01 -4.456040559e-01 4.32 -4.278989651e-01 -4.278989651e-01 4.34 -4.110203838e-01 -4.110203838e-01 4.36 -3.949292444e-01 -3.949292444e-01 4.38 -3.795874122e-01 -3.795874122e-01 4.40 -3.649567090e-01 -3.649567090e-01 4.42 -3.509983926e-01 -3.509983926e-01 4.44 -3.376730583e-01 -3.376730583e-01 4.46 -3.249408640e-01 -3.249408640e-01 4.48 -3.127619520e-01 -3.127619520e-01 4.50 -3.010969436e-01 -3.010969436e-01 4.52 -2.899074096e-01 -2.899074096e-01 4.54 -2.791562537e-01 -2.791562537e-01 4.56 -2.688079823e-01 -2.688079823e-01 4.58 -2.588288629e-01 -2.588288629e-01 4.60 -2.491869903e-01 -2.491869903e-01 4.62 -2.398522906e-01 -2.398522906e-01 4.64 -2.307964978e-01 -2.307964978e-01 4.66 -2.219931325e-01 -2.219931325e-01 4.68 -2.134175147e-01 -2.134175147e-01 4.70 -2.050468307e-01 -2.050468307e-01 4.72 -1.968602742e-01 -1.968602742e-01 4.74 -1.888392709e-01 -1.888392709e-01 4.76 -1.809677871e-01 -1.809677871e-01 4.78 -1.732327148e-01 -1.732327148e-01 4.80 -1.656242680e-01 -1.656242680e-01 4.82 -1.581366110e-01 -1.581366110e-01 4.84 -1.507680035e-01 -1.507680035e-01 4.86 -1.435213082e-01 -1.435213082e-01 4.88 -1.364040825e-01 -1.364040825e-01 4.90 -1.294284755e-01 -1.294284755e-01 4.92 -1.226108241e-01 -1.226108241e-01 4.94 -1.159709198e-01 -1.159709198e-01 4.96 -1.095309605e-01 -1.095309605e-01 4.98 -1.033142462e-01 -1.033142462e-01 5.00 -9.734372149e-02 -9.734372149e-02 5.02 -9.164050111e-02 -9.164050111e-02 5.04 -8.622251371e-02 -8.622251371e-02 5.06 -8.110340906e-02 -8.110340906e-02 5.08 -7.629167706e-02 -7.629167706e-02 5.10 -7.179048172e-02 -7.179048172e-02 5.12 -6.759791507e-02 -6.759791507e-02 5.14 -6.370706052e-02 -6.370706052e-02 5.16 -6.010666142e-02 -6.010666142e-02 5.18 -5.678189244e-02 -5.678189244e-02 5.20 -5.371521619e-02 -5.371521619e-02 5.22 -5.088775310e-02 -5.088775310e-02 5.24 -4.827968845e-02 -4.827968845e-02 5.26 -4.587095943e-02 -4.587095943e-02 5.28 -4.364184278e-02 -4.364184278e-02 5.30 -4.157339392e-02 -4.157339392e-02 5.32 -3.964774927e-02 -3.964774927e-02 5.34 -3.784831122e-02 -3.784831122e-02 5.36 -3.615983844e-02 -3.615983844e-02 5.38 -3.456846436e-02 -3.456846436e-02 5.40 -3.306166499e-02 -3.306166499e-02 5.42 -3.162819425e-02 -3.162819425e-02 5.44 -3.025800179e-02 -3.025800179e-02 5.46 -2.894214502e-02 -2.894214502e-02 5.48 -2.767270426e-02 -2.767270426e-02 5.50 -2.644270707e-02 -2.644270707e-02 5.52 -2.524606612e-02 -2.524606612e-02 5.54 -2.407753278e-02 -2.407753278e-02 5.56 -2.293266661e-02 -2.293266661e-02 5.58 -2.180782049e-02 -2.180782049e-02 5.60 -2.070013854e-02 -2.070013854e-02 5.62 -1.960756302e-02 -1.960756302e-02 5.64 -1.852884503e-02 -1.852884503e-02 5.66 -1.746355243e-02 -1.746355243e-02 5.68 -1.641206779e-02 -1.641206779e-02 5.70 -1.537556863e-02 -1.537556863e-02 5.72 -1.435598304e-02 -1.435598304e-02 5.74 -1.335591487e-02 -1.335591487e-02 5.76 -1.237853375e-02 -1.237853375e-02 5.78 -1.142733265e-02 -1.142733265e-02 5.80 -1.050614601e-02 -1.050614601e-02 5.82 -9.618947917e-03 -9.618947917e-03 5.84 -8.769576859e-03 -8.769576859e-03 5.86 -7.961543686e-03 -7.961543686e-03 5.88 -7.197860455e-03 -7.197860455e-03 5.90 -6.480902788e-03 -6.480902788e-03 5.92 -5.812314935e-03 -5.812314935e-03 5.94 -5.192962132e-03 -5.192962132e-03 5.96 -4.622929960e-03 -4.622929960e-03 5.98 -4.101565950e-03 -4.101565950e-03 6.00 -3.627555378e-03 -3.627555378e-03