# 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 = Co2TiZr # 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 2.184484670e+02 2.184484670e+02 1.30 2.016419927e+02 2.016419927e+02 1.32 1.861213881e+02 1.861213881e+02 1.34 1.717799056e+02 1.717799056e+02 1.36 1.585205866e+02 1.585205866e+02 1.38 1.462562584e+02 1.462562584e+02 1.40 1.349085069e+02 1.349085069e+02 1.42 1.244059616e+02 1.244059616e+02 1.44 1.146828069e+02 1.146828069e+02 1.46 1.056782865e+02 1.056782865e+02 1.48 9.733691322e+01 9.733691322e+01 1.50 8.960836183e+01 8.960836183e+01 1.52 8.244665706e+01 8.244665706e+01 1.54 7.580921535e+01 7.580921535e+01 1.56 6.965648210e+01 6.965648210e+01 1.58 6.395207599e+01 6.395207599e+01 1.60 5.866281556e+01 5.866281556e+01 1.62 5.375835194e+01 5.375835194e+01 1.64 4.921062839e+01 4.921062839e+01 1.66 4.499343509e+01 4.499343509e+01 1.68 4.108221125e+01 4.108221125e+01 1.70 3.745412103e+01 3.745412103e+01 1.72 3.408813299e+01 3.408813299e+01 1.74 3.096498674e+01 3.096498674e+01 1.76 2.806702564e+01 2.806702564e+01 1.78 2.537802664e+01 2.537802664e+01 1.80 2.288311027e+01 2.288311027e+01 1.82 2.056904635e+01 2.056904635e+01 1.84 1.842332893e+01 1.842332893e+01 1.86 1.643434085e+01 1.643434085e+01 1.88 1.459226605e+01 1.459226605e+01 1.90 1.288734932e+01 1.288734932e+01 1.92 1.131017756e+01 1.131017756e+01 1.94 9.851983261e+00 9.851983261e+00 1.96 8.504530359e+00 8.504530359e+00 1.98 7.260076051e+00 7.260076051e+00 2.00 6.111374290e+00 6.111374290e+00 2.02 5.051672920e+00 5.051672920e+00 2.04 4.074688109e+00 4.074688109e+00 2.06 3.174559689e+00 3.174559689e+00 2.08 2.345803576e+00 2.345803576e+00 2.10 1.583287376e+00 1.583287376e+00 2.12 8.822252970e-01 8.822252970e-01 2.14 2.381787311e-01 2.381787311e-01 2.16 -3.529372863e-01 -3.529372863e-01 2.18 -8.948697339e-01 -8.948697339e-01 2.20 -1.391056556e+00 -1.391056556e+00 2.22 -1.844683681e+00 -1.844683681e+00 2.24 -2.258733724e+00 -2.258733724e+00 2.26 -2.636013979e+00 -2.636013979e+00 2.28 -2.979168920e+00 -2.979168920e+00 2.30 -3.290654111e+00 -3.290654111e+00 2.32 -3.572746394e+00 -3.572746394e+00 2.34 -3.827523533e+00 -3.827523533e+00 2.36 -4.056890031e+00 -4.056890031e+00 2.38 -4.262596486e+00 -4.262596486e+00 2.40 -4.446268860e+00 -4.446268860e+00 2.42 -4.609443257e+00 -4.609443257e+00 2.44 -4.753588451e+00 -4.753588451e+00 2.46 -4.880126233e+00 -4.880126233e+00 2.48 -4.990433852e+00 -4.990433852e+00 2.50 -5.085835759e+00 -5.085835759e+00 2.52 -5.167589382e+00 -5.167589382e+00 2.54 -5.236919215e+00 -5.236919215e+00 2.56 -5.294922748e+00 -5.294922748e+00 2.58 -5.342515798e+00 -5.342515798e+00 2.60 -5.380545248e+00 -5.380545248e+00 2.62 -5.409784631e+00 -5.409784631e+00 2.64 -5.430939213e+00 -5.430939213e+00 2.66 -5.444633197e+00 -5.444633197e+00 2.68 -5.451417981e+00 -5.451417981e+00 2.70 -5.451671669e+00 -5.451671669e+00 2.72 -5.445708048e+00 -5.445708048e+00 2.74 -5.433777751e+00 -5.433777751e+00 2.76 -5.416134891e+00 -5.416134891e+00 2.78 -5.393059407e+00 -5.393059407e+00 2.80 -5.364907217e+00 -5.364907217e+00 2.82 -5.331996158e+00 -5.331996158e+00 2.84 -5.294573229e+00 -5.294573229e+00 2.86 -5.252899369e+00 -5.252899369e+00 2.88 -5.207220679e+00 -5.207220679e+00 2.90 -5.157718361e+00 -5.157718361e+00 2.92 -5.104588175e+00 -5.104588175e+00 2.94 -5.048054911e+00 -5.048054911e+00 2.96 -4.988368620e+00 -4.988368620e+00 2.98 -4.925784839e+00 -4.925784839e+00 3.00 -4.860500870e+00 -4.860500870e+00 3.02 -4.792720242e+00 -4.792720242e+00 3.04 -4.722672029e+00 -4.722672029e+00 3.06 -4.650607589e+00 -4.650607589e+00 3.08 -4.576773024e+00 -4.576773024e+00 3.10 -4.501407083e+00 -4.501407083e+00 3.12 -4.424727996e+00 -4.424727996e+00 3.14 -4.346938578e+00 -4.346938578e+00 3.16 -4.268214323e+00 -4.268214323e+00 3.18 -4.188717489e+00 -4.188717489e+00 3.20 -4.108600154e+00 -4.108600154e+00 3.22 -4.028009584e+00 -4.028009584e+00 3.24 -3.947092652e+00 -3.947092652e+00 3.26 -3.865998961e+00 -3.865998961e+00 3.28 -3.784882296e+00 -3.784882296e+00 3.30 -3.703899895e+00 -3.703899895e+00 3.32 -3.623209292e+00 -3.623209292e+00 3.34 -3.542963059e+00 -3.542963059e+00 3.36 -3.463302601e+00 -3.463302601e+00 3.38 -3.384352598e+00 -3.384352598e+00 3.40 -3.306216491e+00 -3.306216491e+00 3.42 -3.228980335e+00 -3.228980335e+00 3.44 -3.152707761e+00 -3.152707761e+00 3.46 -3.077448923e+00 -3.077448923e+00 3.48 -3.003243686e+00 -3.003243686e+00 3.50 -2.930125732e+00 -2.930125732e+00 3.52 -2.858125440e+00 -2.858125440e+00 3.54 -2.787271101e+00 -2.787271101e+00 3.56 -2.717588456e+00 -2.717588456e+00 3.58 -2.649098916e+00 -2.649098916e+00 3.60 -2.581817104e+00 -2.581817104e+00 3.62 -2.515748546e+00 -2.515748546e+00 3.64 -2.450888249e+00 -2.450888249e+00 3.66 -2.387220669e+00 -2.387220669e+00 3.68 -2.324721199e+00 -2.324721199e+00 3.70 -2.263358965e+00 -2.263358965e+00 3.72 -2.203100496e+00 -2.203100496e+00 3.74 -2.143913750e+00 -2.143913750e+00 3.76 -2.085771987e+00 -2.085771987e+00 3.78 -2.028657056e+00 -2.028657056e+00 3.80 -1.972561749e+00 -1.972561749e+00 3.82 -1.917490920e+00 -1.917490920e+00 3.84 -1.863461209e+00 -1.863461209e+00 3.86 -1.810499273e+00 -1.810499273e+00 3.88 -1.758638690e+00 -1.758638690e+00 3.90 -1.707915882e+00 -1.707915882e+00 3.92 -1.658364007e+00 -1.658364007e+00 3.94 -1.610015524e+00 -1.610015524e+00 3.96 -1.562888171e+00 -1.562888171e+00 3.98 -1.516990550e+00 -1.516990550e+00 4.00 -1.472319584e+00 -1.472319584e+00 4.02 -1.428861304e+00 -1.428861304e+00 4.04 -1.386592576e+00 -1.386592576e+00 4.06 -1.345483347e+00 -1.345483347e+00 4.08 -1.305499040e+00 -1.305499040e+00 4.10 -1.266599092e+00 -1.266599092e+00 4.12 -1.228754487e+00 -1.228754487e+00 4.14 -1.191924824e+00 -1.191924824e+00 4.16 -1.156076888e+00 -1.156076888e+00 4.18 -1.121180992e+00 -1.121180992e+00 4.20 -1.087211613e+00 -1.087211613e+00 4.22 -1.054147697e+00 -1.054147697e+00 4.24 -1.021972625e+00 -1.021972625e+00 4.26 -9.906738047e-01 -9.906738047e-01 4.28 -9.602418942e-01 -9.602418942e-01 4.30 -9.306697019e-01 -9.306697019e-01 4.32 -9.019508651e-01 -9.019508651e-01 4.34 -8.740784606e-01 -8.740784606e-01 4.36 -8.470437251e-01 -8.470437251e-01 4.38 -8.208350493e-01 -8.208350493e-01 4.40 -7.954373564e-01 -7.954373564e-01 4.42 -7.708319048e-01 -7.708319048e-01 4.44 -7.469964760e-01 -7.469964760e-01 4.46 -7.239058558e-01 -7.239058558e-01 4.48 -7.015324873e-01 -7.015324873e-01 4.50 -6.798471816e-01 -6.798471816e-01 4.52 -6.588197903e-01 -6.588197903e-01 4.54 -6.384197832e-01 -6.384197832e-01 4.56 -6.186167023e-01 -6.186167023e-01 4.58 -5.993804952e-01 -5.993804952e-01 4.60 -5.806817442e-01 -5.806817442e-01 4.62 -5.624918218e-01 -5.624918218e-01 4.64 -5.447830028e-01 -5.447830028e-01 4.66 -5.275285665e-01 -5.275285665e-01 4.68 -5.107029146e-01 -5.107029146e-01 4.70 -4.942817310e-01 -4.942817310e-01 4.72 -4.782421993e-01 -4.782421993e-01 4.74 -4.625632895e-01 -4.625632895e-01 4.76 -4.472261166e-01 -4.472261166e-01 4.78 -4.322143623e-01 -4.322143623e-01 4.80 -4.175115760e-01 -4.175115760e-01 4.82 -4.031148400e-01 -4.031148400e-01 4.84 -3.890145157e-01 -3.890145157e-01 4.86 -3.752090393e-01 -3.752090393e-01 4.88 -3.617012656e-01 -3.617012656e-01 4.90 -3.484983844e-01 -3.484983844e-01 4.92 -3.356115438e-01 -3.356115438e-01 4.94 -3.230551547e-01 -3.230551547e-01 4.96 -3.108458885e-01 -3.108458885e-01 4.98 -2.990014271e-01 -2.990014271e-01 5.00 -2.875390641e-01 -2.875390641e-01 5.02 -2.764742873e-01 -2.764742873e-01 5.04 -2.658194814e-01 -2.658194814e-01 5.06 -2.555828776e-01 -2.555828776e-01 5.08 -2.457678425e-01 -2.457678425e-01 5.10 -2.363725551e-01 -2.363725551e-01 5.12 -2.273900662e-01 -2.273900662e-01 5.14 -2.188086995e-01 -2.188086995e-01 5.16 -2.106127151e-01 -2.106127151e-01 5.18 -2.027830731e-01 -2.027830731e-01 5.20 -1.952982982e-01 -1.952982982e-01 5.22 -1.881359095e-01 -1.881359095e-01 5.24 -1.812728438e-01 -1.812728438e-01 5.26 -1.746862092e-01 -1.746862092e-01 5.28 -1.683539595e-01 -1.683539595e-01 5.30 -1.622554295e-01 -1.622554295e-01 5.32 -1.563717390e-01 -1.563717390e-01 5.34 -1.506860710e-01 -1.506860710e-01 5.36 -1.451838371e-01 -1.451838371e-01 5.38 -1.398527377e-01 -1.398527377e-01 5.40 -1.346827263e-01 -1.346827263e-01 5.42 -1.296658833e-01 -1.296658833e-01 5.44 -1.247962093e-01 -1.247962093e-01 5.46 -1.200693478e-01 -1.200693478e-01 5.48 -1.154822540e-01 -1.154822540e-01 5.50 -1.110328312e-01 -1.110328312e-01 5.52 -1.067195617e-01 -1.067195617e-01 5.54 -1.025411609e-01 -1.025411609e-01 5.56 -9.849628078e-02 -9.849628078e-02 5.58 -9.458328571e-02 -9.458328571e-02 5.60 -9.080002176e-02 -9.080002176e-02 5.62 -8.714385072e-02 -8.714385072e-02 5.64 -8.361192027e-02 -8.361192027e-02 5.66 -8.020100047e-02 -8.020100047e-02 5.68 -7.690762775e-02 -7.690762775e-02 5.70 -7.372827124e-02 -7.372827124e-02 5.72 -7.065948816e-02 -7.065948816e-02 5.74 -6.769804634e-02 -6.769804634e-02 5.76 -6.484099837e-02 -6.484099837e-02 5.78 -6.208569954e-02 -6.208569954e-02 5.80 -5.942977012e-02 -5.942977012e-02 5.82 -5.687100978e-02 -5.687100978e-02 5.84 -5.440727766e-02 -5.440727766e-02 5.86 -5.203635577e-02 -5.203635577e-02 5.88 -4.975581390e-02 -4.975581390e-02 5.90 -4.756289332e-02 -4.756289332e-02 5.92 -4.545442297e-02 -4.545442297e-02 5.94 -4.342677688e-02 -4.342677688e-02 5.96 -4.147587627e-02 -4.147587627e-02 5.98 -3.959723501e-02 -3.959723501e-02 6.00 -3.778604275e-02 -3.778604275e-02