# 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 = Ag2AlTi # 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 2.106114243e+02 2.106114243e+02 1.30 1.953898572e+02 1.953898572e+02 1.32 1.812918167e+02 1.812918167e+02 1.34 1.682265354e+02 1.682265354e+02 1.36 1.561108999e+02 1.561108999e+02 1.38 1.448699699e+02 1.448699699e+02 1.40 1.344361241e+02 1.344361241e+02 1.42 1.247474568e+02 1.247474568e+02 1.44 1.157464262e+02 1.157464262e+02 1.46 1.073793795e+02 1.073793795e+02 1.48 9.959697464e+01 9.959697464e+01 1.50 9.235485698e+01 9.235485698e+01 1.52 8.561369198e+01 8.561369198e+01 1.54 7.933829305e+01 7.933829305e+01 1.56 7.349643311e+01 7.349643311e+01 1.58 6.805798877e+01 6.805798877e+01 1.60 6.299455859e+01 6.299455859e+01 1.62 5.827936609e+01 5.827936609e+01 1.64 5.388724214e+01 5.388724214e+01 1.66 4.979459391e+01 4.979459391e+01 1.68 4.597953604e+01 4.597953604e+01 1.70 4.242252996e+01 4.242252996e+01 1.72 3.910759535e+01 3.910759535e+01 1.74 3.601911245e+01 3.601911245e+01 1.76 3.314125120e+01 3.314125120e+01 1.78 3.045941514e+01 3.045941514e+01 1.80 2.796018859e+01 2.796018859e+01 1.82 2.563127342e+01 2.563127342e+01 1.84 2.346143985e+01 2.346143985e+01 1.86 2.144041472e+01 2.144041472e+01 1.88 1.955869753e+01 1.955869753e+01 1.90 1.780735158e+01 1.780735158e+01 1.92 1.617783112e+01 1.617783112e+01 1.94 1.466189779e+01 1.466189779e+01 1.96 1.325164757e+01 1.325164757e+01 1.98 1.193961770e+01 1.193961770e+01 2.00 1.071889947e+01 1.071889947e+01 2.02 9.583191131e+00 9.583191131e+00 2.04 8.526772882e+00 8.526772882e+00 2.06 7.544428789e+00 7.544428789e+00 2.08 6.631354634e+00 6.631354634e+00 2.10 5.783080192e+00 5.783080192e+00 2.12 4.995414632e+00 4.995414632e+00 2.14 4.264411187e+00 4.264411187e+00 2.16 3.586346933e+00 3.586346933e+00 2.18 2.957715080e+00 2.957715080e+00 2.20 2.375226044e+00 2.375226044e+00 2.22 1.835809974e+00 1.835809974e+00 2.24 1.336614823e+00 1.336614823e+00 2.26 8.749982538e-01 8.749982538e-01 2.28 4.485162072e-01 4.485162072e-01 2.30 5.491236046e-02 5.491236046e-02 2.32 -3.078907304e-01 -3.078907304e-01 2.34 -6.417993360e-01 -6.417993360e-01 2.36 -9.485598653e-01 -9.485598653e-01 2.38 -1.229776597e+00 -1.229776597e+00 2.40 -1.486936922e+00 -1.486936922e+00 2.42 -1.721441085e+00 -1.721441085e+00 2.44 -1.934631028e+00 -1.934631028e+00 2.46 -2.127813934e+00 -2.127813934e+00 2.48 -2.302277491e+00 -2.302277491e+00 2.50 -2.459296473e+00 -2.459296473e+00 2.52 -2.600133470e+00 -2.600133470e+00 2.54 -2.726084136e+00 -2.726084136e+00 2.56 -2.838346909e+00 -2.838346909e+00 2.58 -2.938059110e+00 -2.938059110e+00 2.60 -3.026336898e+00 -3.026336898e+00 2.62 -3.104256524e+00 -3.104256524e+00 2.64 -3.172827367e+00 -3.172827367e+00 2.66 -3.232961453e+00 -3.232961453e+00 2.68 -3.285448886e+00 -3.285448886e+00 2.70 -3.330906243e+00 -3.330906243e+00 2.72 -3.370203219e+00 -3.370203219e+00 2.74 -3.403996521e+00 -3.403996521e+00 2.76 -3.432277887e+00 -3.432277887e+00 2.78 -3.455062086e+00 -3.455062086e+00 2.80 -3.472393016e+00 -3.472393016e+00 2.82 -3.484344874e+00 -3.484344874e+00 2.84 -3.491021182e+00 -3.491021182e+00 2.86 -3.492552300e+00 -3.492552300e+00 2.88 -3.489095797e+00 -3.489095797e+00 2.90 -3.480844961e+00 -3.480844961e+00 2.92 -3.468031285e+00 -3.468031285e+00 2.94 -3.451052107e+00 -3.451052107e+00 2.96 -3.430084362e+00 -3.430084362e+00 2.98 -3.405276505e+00 -3.405276505e+00 3.00 -3.376836173e+00 -3.376836173e+00 3.02 -3.345029189e+00 -3.345029189e+00 3.04 -3.310173948e+00 -3.310173948e+00 3.06 -3.272629349e+00 -3.272629349e+00 3.08 -3.232775727e+00 -3.232775727e+00 3.10 -3.190992399e+00 -3.190992399e+00 3.12 -3.147641050e+00 -3.147641050e+00 3.14 -3.103047778e+00 -3.103047778e+00 3.16 -3.057483253e+00 -3.057483253e+00 3.18 -3.011160373e+00 -3.011160373e+00 3.20 -2.964238962e+00 -2.964238962e+00 3.22 -2.916834747e+00 -2.916834747e+00 3.24 -2.869029984e+00 -2.869029984e+00 3.26 -2.820883737e+00 -2.820883737e+00 3.28 -2.772440630e+00 -2.772440630e+00 3.30 -2.723737622e+00 -2.723737622e+00 3.32 -2.674808885e+00 -2.674808885e+00 3.34 -2.625689089e+00 -2.625689089e+00 3.36 -2.576415522e+00 -2.576415522e+00 3.38 -2.527029406e+00 -2.527029406e+00 3.40 -2.477576715e+00 -2.477576715e+00 3.42 -2.428108777e+00 -2.428108777e+00 3.44 -2.378682553e+00 -2.378682553e+00 3.46 -2.329360930e+00 -2.329360930e+00 3.48 -2.280212666e+00 -2.280212666e+00 3.50 -2.231311939e+00 -2.231311939e+00 3.52 -2.182737219e+00 -2.182737219e+00 3.54 -2.134569305e+00 -2.134569305e+00 3.56 -2.086888453e+00 -2.086888453e+00 3.58 -2.039770833e+00 -2.039770833e+00 3.60 -1.993284759e+00 -1.993284759e+00 3.62 -1.947487325e+00 -1.947487325e+00 3.64 -1.902422010e+00 -1.902422010e+00 3.66 -1.858117629e+00 -1.858117629e+00 3.68 -1.814588666e+00 -1.814588666e+00 3.70 -1.771836720e+00 -1.771836720e+00 3.72 -1.729852684e+00 -1.729852684e+00 3.74 -1.688619219e+00 -1.688619219e+00 3.76 -1.648113196e+00 -1.648113196e+00 3.78 -1.608307898e+00 -1.608307898e+00 3.80 -1.569174880e+00 -1.569174880e+00 3.82 -1.530685467e+00 -1.530685467e+00 3.84 -1.492811909e+00 -1.492811909e+00 3.86 -1.455528203e+00 -1.455528203e+00 3.88 -1.418810628e+00 -1.418810628e+00 3.90 -1.382638007e+00 -1.382638007e+00 3.92 -1.346991709e+00 -1.346991709e+00 3.94 -1.311855588e+00 -1.311855588e+00 3.96 -1.277215491e+00 -1.277215491e+00 3.98 -1.243058972e+00 -1.243058972e+00 4.00 -1.209374820e+00 -1.209374820e+00 4.02 -1.176152672e+00 -1.176152672e+00 4.04 -1.143382729e+00 -1.143382729e+00 4.06 -1.111055649e+00 -1.111055649e+00 4.08 -1.079162656e+00 -1.079162656e+00 4.10 -1.047695830e+00 -1.047695830e+00 4.12 -1.016649022e+00 -1.016649022e+00 4.14 -9.860182585e-01 -9.860182585e-01 4.16 -9.558031125e-01 -9.558031125e-01 4.18 -9.260077721e-01 -9.260077721e-01 4.20 -8.966421612e-01 -8.966421612e-01 4.22 -8.677228716e-01 -8.677228716e-01 4.24 -8.392737229e-01 -8.392737229e-01 4.26 -8.113257775e-01 -8.113257775e-01 4.28 -7.839166692e-01 -7.839166692e-01 4.30 -7.570891802e-01 -7.570891802e-01 4.32 -7.308890993e-01 -7.308890993e-01 4.34 -7.053625136e-01 -7.053625136e-01 4.36 -6.805527850e-01 -6.805527850e-01 4.38 -6.564975360e-01 -6.564975360e-01 4.40 -6.332259789e-01 -6.332259789e-01 4.42 -6.107568754e-01 -6.107568754e-01 4.44 -5.890973134e-01 -5.890973134e-01 4.46 -5.682423647e-01 -5.682423647e-01 4.48 -5.481755614e-01 -5.481755614e-01 4.50 -5.288700384e-01 -5.288700384e-01 4.52 -5.102901305e-01 -5.102901305e-01 4.54 -4.923932083e-01 -4.923932083e-01 4.56 -4.751315578e-01 -4.751315578e-01 4.58 -4.584541581e-01 -4.584541581e-01 4.60 -4.423082643e-01 -4.423082643e-01 4.62 -4.266407571e-01 -4.266407571e-01 4.64 -4.113992583e-01 -4.113992583e-01 4.66 -3.965330461e-01 -3.965330461e-01 4.68 -3.819938151e-01 -3.819938151e-01 4.70 -3.677363376e-01 -3.677363376e-01 4.72 -3.537190764e-01 -3.537190764e-01 4.74 -3.399047943e-01 -3.399047943e-01 4.76 -3.262611884e-01 -3.262611884e-01 4.78 -3.127615638e-01 -3.127615638e-01 4.80 -2.993854909e-01 -2.993854909e-01 4.82 -2.861197129e-01 -2.861197129e-01 4.84 -2.729584965e-01 -2.729584965e-01 4.86 -2.599043951e-01 -2.599043951e-01 4.88 -2.469685367e-01 -2.469685367e-01 4.90 -2.341706765e-01 -2.341706765e-01 4.92 -2.215388728e-01 -2.215388728e-01 4.94 -2.091087189e-01 -2.091087189e-01 4.96 -1.969221015e-01 -1.969221015e-01 4.98 -1.850255014e-01 -1.850255014e-01 5.00 -1.734679105e-01 -1.734679105e-01 5.02 -1.622984908e-01 -1.622984908e-01 5.04 -1.515641463e-01 -1.515641463e-01 5.06 -1.413072006e-01 -1.413072006e-01 5.08 -1.315633698e-01 -1.315633698e-01 5.10 -1.223601943e-01 -1.223601943e-01 5.12 -1.137160350e-01 -1.137160350e-01 5.14 -1.056396704e-01 -1.056396704e-01 5.16 -9.813048226e-02 -9.813048226e-02 5.18 -9.117913424e-02 -9.117913424e-02 5.20 -8.476858044e-02 -8.476858044e-02 5.22 -7.887536924e-02 -7.887536924e-02 5.24 -7.347146710e-02 -7.347146710e-02 5.26 -6.852518698e-02 -6.852518698e-02 5.28 -6.400273540e-02 -6.400273540e-02 5.30 -5.986960539e-02 -5.986960539e-02 5.32 -5.609120513e-02 -5.609120513e-02 5.34 -5.263367761e-02 -5.263367761e-02 5.36 -4.946451605e-02 -4.946451605e-02 5.38 -4.655299340e-02 -4.655299340e-02 5.40 -4.387043532e-02 -4.387043532e-02 5.42 -4.139036735e-02 -4.139036735e-02 5.44 -3.908856630e-02 -3.908856630e-02 5.46 -3.694304288e-02 -3.694304288e-02 5.48 -3.493397848e-02 -3.493397848e-02 5.50 -3.304363525e-02 -3.304363525e-02 5.52 -3.125625422e-02 -3.125625422e-02 5.54 -2.955795260e-02 -2.955795260e-02 5.56 -2.793662769e-02 -2.793662769e-02 5.58 -2.638187150e-02 -2.638187150e-02 5.60 -2.488489681e-02 -2.488489681e-02 5.62 -2.343847475e-02 -2.343847475e-02 5.64 -2.203687880e-02 -2.203687880e-02 5.66 -2.067582938e-02 -2.067582938e-02 5.68 -1.935243204e-02 -1.935243204e-02 5.70 -1.806510075e-02 -1.806510075e-02 5.72 -1.681345871e-02 -1.681345871e-02 5.74 -1.559821029e-02 -1.559821029e-02 5.76 -1.442098038e-02 -1.442098038e-02 5.78 -1.328403382e-02 -1.328403382e-02 5.80 -1.219006851e-02 -1.219006851e-02 5.82 -1.114229871e-02 -1.114229871e-02 5.84 -1.014395795e-02 -1.014395795e-02 5.86 -9.198051892e-03 -9.198051892e-03 5.88 -8.307148375e-03 -8.307148375e-03 5.90 -7.473207385e-03 -7.473207385e-03 5.92 -6.697461028e-03 -6.697461028e-03 5.94 -5.980348335e-03 -5.980348335e-03 5.96 -5.321504338e-03 -5.321504338e-03 5.98 -4.719797844e-03 -4.719797844e-03 6.00 -4.173408657e-03 -4.173408657e-03