# 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 = CoMoTi2 # 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 2.399727286e+02 2.399727286e+02 1.30 2.216472793e+02 2.216472793e+02 1.32 2.047297475e+02 2.047297475e+02 1.34 1.891011295e+02 1.891011295e+02 1.36 1.746515851e+02 1.746515851e+02 1.38 1.612811755e+02 1.612811755e+02 1.40 1.488998024e+02 1.488998024e+02 1.42 1.374265515e+02 1.374265515e+02 1.44 1.267889503e+02 1.267889503e+02 1.46 1.169222716e+02 1.169222716e+02 1.48 1.077686471e+02 1.077686471e+02 1.50 9.927596986e+01 9.927596986e+01 1.52 9.139681520e+01 9.139681520e+01 1.54 8.408766987e+01 8.408766987e+01 1.56 7.730857404e+01 7.730857404e+01 1.58 7.102289130e+01 7.102289130e+01 1.60 6.519688267e+01 6.519688267e+01 1.62 5.979911695e+01 5.979911695e+01 1.64 5.479991653e+01 5.479991653e+01 1.66 5.017093112e+01 5.017093112e+01 1.68 4.588490330e+01 4.588490330e+01 1.70 4.191570855e+01 4.191570855e+01 1.72 3.823862911e+01 3.823862911e+01 1.74 3.483066531e+01 3.483066531e+01 1.76 3.167068647e+01 3.167068647e+01 1.78 2.873939702e+01 2.873939702e+01 1.80 2.601933421e+01 2.601933421e+01 1.82 2.349678672e+01 2.349678672e+01 1.84 2.115873934e+01 2.115873934e+01 1.86 1.899255800e+01 1.899255800e+01 1.88 1.698653209e+01 1.698653209e+01 1.90 1.512998786e+01 1.512998786e+01 1.92 1.341301829e+01 1.341301829e+01 1.94 1.182628004e+01 1.182628004e+01 1.96 1.036090018e+01 1.036090018e+01 1.98 9.008473513e+00 9.008473513e+00 2.00 7.761080196e+00 7.761080196e+00 2.02 6.611265199e+00 6.611265199e+00 2.04 5.551978441e+00 5.551978441e+00 2.06 4.576517435e+00 4.576517435e+00 2.08 3.678511936e+00 3.678511936e+00 2.10 2.851955006e+00 2.851955006e+00 2.12 2.091252350e+00 2.091252350e+00 2.14 1.391258677e+00 1.391258677e+00 2.16 7.472881436e-01 7.472881436e-01 2.18 1.550991560e-01 1.550991560e-01 2.20 -3.891424951e-01 -3.891424951e-01 2.22 -8.889183725e-01 -8.889183725e-01 2.24 -1.347419414e+00 -1.347419414e+00 2.26 -1.767600526e+00 -1.767600526e+00 2.28 -2.152216040e+00 -2.152216040e+00 2.30 -2.503832879e+00 -2.503832879e+00 2.32 -2.824829826e+00 -2.824829826e+00 2.34 -3.117390340e+00 -3.117390340e+00 2.36 -3.383500744e+00 -3.383500744e+00 2.38 -3.624959487e+00 -3.624959487e+00 2.40 -3.843400195e+00 -3.843400195e+00 2.42 -4.040323645e+00 -4.040323645e+00 2.44 -4.217129764e+00 -4.217129764e+00 2.46 -4.375142978e+00 -4.375142978e+00 2.48 -4.515627344e+00 -4.515627344e+00 2.50 -4.639791951e+00 -4.639791951e+00 2.52 -4.748789183e+00 -4.748789183e+00 2.54 -4.843709551e+00 -4.843709551e+00 2.56 -4.925576543e+00 -4.925576543e+00 2.58 -4.995306116e+00 -4.995306116e+00 2.60 -5.053689320e+00 -5.053689320e+00 2.62 -5.101635759e+00 -5.101635759e+00 2.64 -5.139981073e+00 -5.139981073e+00 2.66 -5.169473977e+00 -5.169473977e+00 2.68 -5.190816851e+00 -5.190816851e+00 2.70 -5.204696263e+00 -5.204696263e+00 2.72 -5.211585258e+00 -5.211585258e+00 2.74 -5.211941213e+00 -5.211941213e+00 2.76 -5.206094040e+00 -5.206094040e+00 2.78 -5.194234963e+00 -5.194234963e+00 2.80 -5.176555854e+00 -5.176555854e+00 2.82 -5.153279424e+00 -5.153279424e+00 2.84 -5.124648972e+00 -5.124648972e+00 2.86 -5.090808639e+00 -5.090808639e+00 2.88 -5.051785037e+00 -5.051785037e+00 2.90 -5.007583512e+00 -5.007583512e+00 2.92 -4.958274552e+00 -4.958274552e+00 2.94 -4.904002514e+00 -4.904002514e+00 2.96 -4.844981209e+00 -4.844981209e+00 2.98 -4.781489719e+00 -4.781489719e+00 3.00 -4.713866492e+00 -4.713866492e+00 3.02 -4.642499016e+00 -4.642499016e+00 3.04 -4.567806706e+00 -4.567806706e+00 3.06 -4.490217300e+00 -4.490217300e+00 3.08 -4.410138905e+00 -4.410138905e+00 3.10 -4.327934820e+00 -4.327934820e+00 3.12 -4.243905784e+00 -4.243905784e+00 3.14 -4.158283959e+00 -4.158283959e+00 3.16 -4.071236987e+00 -4.071236987e+00 3.18 -3.982880775e+00 -3.982880775e+00 3.20 -3.893295488e+00 -3.893295488e+00 3.22 -3.802541867e+00 -3.802541867e+00 3.24 -3.710675709e+00 -3.710675709e+00 3.26 -3.617759780e+00 -3.617759780e+00 3.28 -3.523873259e+00 -3.523873259e+00 3.30 -3.429119078e+00 -3.429119078e+00 3.32 -3.333629537e+00 -3.333629537e+00 3.34 -3.237570270e+00 -3.237570270e+00 3.36 -3.141142500e+00 -3.141142500e+00 3.38 -3.044583327e+00 -3.044583327e+00 3.40 -2.948163808e+00 -2.948163808e+00 3.42 -2.852184873e+00 -2.852184873e+00 3.44 -2.756970763e+00 -2.756970763e+00 3.46 -2.662860868e+00 -2.662860868e+00 3.48 -2.570199946e+00 -2.570199946e+00 3.50 -2.479327415e+00 -2.479327415e+00 3.52 -2.390566133e+00 -2.390566133e+00 3.54 -2.304211108e+00 -2.304211108e+00 3.56 -2.220518682e+00 -2.220518682e+00 3.58 -2.139696927e+00 -2.139696927e+00 3.60 -2.061898248e+00 -2.061898248e+00 3.62 -1.987215237e+00 -1.987215237e+00 3.64 -1.915680529e+00 -1.915680529e+00 3.66 -1.847270817e+00 -1.847270817e+00 3.68 -1.781914430e+00 -1.781914430e+00 3.70 -1.719501315e+00 -1.719501315e+00 3.72 -1.659893973e+00 -1.659893973e+00 3.74 -1.602938056e+00 -1.602938056e+00 3.76 -1.548471652e+00 -1.548471652e+00 3.78 -1.496332741e+00 -1.496332741e+00 3.80 -1.446364669e+00 -1.446364669e+00 3.82 -1.398419779e+00 -1.398419779e+00 3.84 -1.352361482e+00 -1.352361482e+00 3.86 -1.308065112e+00 -1.308065112e+00 3.88 -1.265417895e+00 -1.265417895e+00 3.90 -1.224318329e+00 -1.224318329e+00 3.92 -1.184675182e+00 -1.184675182e+00 3.94 -1.146406574e+00 -1.146406574e+00 3.96 -1.109438494e+00 -1.109438494e+00 3.98 -1.073703939e+00 -1.073703939e+00 4.00 -1.039141869e+00 -1.039141869e+00 4.02 -1.005696361e+00 -1.005696361e+00 4.04 -9.733159192e-01 -9.733159192e-01 4.06 -9.419529388e-01 -9.419529388e-01 4.08 -9.115633213e-01 -9.115633213e-01 4.10 -8.821060975e-01 -8.821060975e-01 4.12 -8.535438805e-01 -8.535438805e-01 4.14 -8.258419691e-01 -8.258419691e-01 4.16 -7.989690513e-01 -7.989690513e-01 4.18 -7.728971499e-01 -7.728971499e-01 4.20 -7.476017185e-01 -7.476017185e-01 4.22 -7.230616566e-01 -7.230616566e-01 4.24 -6.992591772e-01 -6.992591772e-01 4.26 -6.761794734e-01 -6.761794734e-01 4.28 -6.538101558e-01 -6.538101558e-01 4.30 -6.321404766e-01 -6.321404766e-01 4.32 -6.111604032e-01 -6.111604032e-01 4.34 -5.908596461e-01 -5.908596461e-01 4.36 -5.712267659e-01 -5.712267659e-01 4.38 -5.522484755e-01 -5.522484755e-01 4.40 -5.339092169e-01 -5.339092169e-01 4.42 -5.161910385e-01 -5.161910385e-01 4.44 -4.990737448e-01 -4.990737448e-01 4.46 -4.825352507e-01 -4.825352507e-01 4.48 -4.665520532e-01 -4.665520532e-01 4.50 -4.510997367e-01 -4.510997367e-01 4.52 -4.361534462e-01 -4.361534462e-01 4.54 -4.216882850e-01 -4.216882850e-01 4.56 -4.076796210e-01 -4.076796210e-01 4.58 -3.941033008e-01 -3.941033008e-01 4.60 -3.809357876e-01 -3.809357876e-01 4.62 -3.681542424e-01 -3.681542424e-01 4.64 -3.557365729e-01 -3.557365729e-01 4.66 -3.436614727e-01 -3.436614727e-01 4.68 -3.319084715e-01 -3.319084715e-01 4.70 -3.204580132e-01 -3.204580132e-01 4.72 -3.092915776e-01 -3.092915776e-01 4.74 -2.983918543e-01 -2.983918543e-01 4.76 -2.877429746e-01 -2.877429746e-01 4.78 -2.773308004e-01 -2.773308004e-01 4.80 -2.671431779e-01 -2.671431779e-01 4.82 -2.571706502e-01 -2.571706502e-01 4.84 -2.474062846e-01 -2.474062846e-01 4.86 -2.378463835e-01 -2.378463835e-01 4.88 -2.284906334e-01 -2.284906334e-01 4.90 -2.193422187e-01 -2.193422187e-01 4.92 -2.104077532e-01 -2.104077532e-01 4.94 -2.016969894e-01 -2.016969894e-01 4.96 -1.932222893e-01 -1.932222893e-01 4.98 -1.849978655e-01 -1.849978655e-01 5.00 -1.770388316e-01 -1.770388316e-01 5.02 -1.693601323e-01 -1.693601323e-01 5.04 -1.619754445e-01 -1.619754445e-01 5.06 -1.548961468e-01 -1.548961468e-01 5.08 -1.481304583e-01 -1.481304583e-01 5.10 -1.416828195e-01 -1.416828195e-01 5.12 -1.355535596e-01 -1.355535596e-01 5.14 -1.297387542e-01 -1.297387542e-01 5.16 -1.242302603e-01 -1.242302603e-01 5.18 -1.190171851e-01 -1.190171851e-01 5.20 -1.140857285e-01 -1.140857285e-01 5.22 -1.094197875e-01 -1.094197875e-01 5.24 -1.050016840e-01 -1.050016840e-01 5.26 -1.008128390e-01 -1.008128390e-01 5.28 -9.683435507e-02 -9.683435507e-02 5.30 -9.304748953e-02 -9.304748953e-02 5.32 -8.943401472e-02 -8.943401472e-02 5.34 -8.597647266e-02 -8.597647266e-02 5.36 -8.265833904e-02 -8.265833904e-02 5.38 -7.946411469e-02 -7.946411469e-02 5.40 -7.637936354e-02 -7.637936354e-02 5.42 -7.339071521e-02 -7.339071521e-02 5.44 -7.048584820e-02 -7.048584820e-02 5.46 -6.765346722e-02 -6.765346722e-02 5.48 -6.488328576e-02 -6.488328576e-02 5.50 -6.216602190e-02 -6.216602190e-02 5.52 -5.949341355e-02 -5.949341355e-02 5.54 -5.685825603e-02 -5.685825603e-02 5.56 -5.425446307e-02 -5.425446307e-02 5.58 -5.167714889e-02 -5.167714889e-02 5.60 -4.912272672e-02 -4.912272672e-02 5.62 -4.658901538e-02 -4.658901538e-02 5.64 -4.407534272e-02 -4.407534272e-02 5.66 -4.158263148e-02 -4.158263148e-02 5.68 -3.911345350e-02 -3.911345350e-02 5.70 -3.667203130e-02 -3.667203130e-02 5.72 -3.426417350e-02 -3.426417350e-02 5.74 -3.189713146e-02 -3.189713146e-02 5.76 -2.957937028e-02 -2.957937028e-02 5.78 -2.732025685e-02 -2.732025685e-02 5.80 -2.512967112e-02 -2.512967112e-02 5.82 -2.301757094e-02 -2.301757094e-02 5.84 -2.099353435e-02 -2.099353435e-02 5.86 -1.906631216e-02 -1.906631216e-02 5.88 -1.724342710e-02 -1.724342710e-02 5.90 -1.553085004e-02 -1.553085004e-02 5.92 -1.393268596e-02 -1.393268596e-02 5.94 -1.245103069e-02 -1.245103069e-02 5.96 -1.108645320e-02 -1.108645320e-02 5.98 -9.837705452e-03 -9.837705452e-03 6.00 -8.701882684e-03 -8.701882684e-03