# 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 = MgTaW2 # 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 5.127478249e+02 5.127478249e+02 1.30 4.744489399e+02 4.744489399e+02 1.32 4.390740885e+02 4.390740885e+02 1.34 4.063780170e+02 4.063780170e+02 1.36 3.761359346e+02 3.761359346e+02 1.38 3.481425880e+02 3.481425880e+02 1.40 3.222124721e+02 3.222124721e+02 1.42 2.981795420e+02 2.981795420e+02 1.44 2.758953432e+02 2.758953432e+02 1.46 2.552258825e+02 2.552258825e+02 1.48 2.360484707e+02 2.360484707e+02 1.50 2.182496842e+02 2.182496842e+02 1.52 2.017248117e+02 2.017248117e+02 1.54 1.863782627e+02 1.863782627e+02 1.56 1.721239730e+02 1.721239730e+02 1.58 1.588850586e+02 1.588850586e+02 1.60 1.465925655e+02 1.465925655e+02 1.62 1.351837055e+02 1.351837055e+02 1.64 1.246001477e+02 1.246001477e+02 1.66 1.147867638e+02 1.147867638e+02 1.68 1.056909366e+02 1.056909366e+02 1.70 9.726232751e+01 9.726232751e+01 1.72 8.945290732e+01 8.945290732e+01 1.74 8.221708927e+01 8.221708927e+01 1.76 7.551187168e+01 7.551187168e+01 1.78 6.929696426e+01 6.929696426e+01 1.80 6.353489837e+01 6.353489837e+01 1.82 5.819112891e+01 5.819112891e+01 1.84 5.323409846e+01 5.323409846e+01 1.86 4.863521701e+01 4.863521701e+01 1.88 4.436868732e+01 4.436868732e+01 1.90 4.041136857e+01 4.041136857e+01 1.92 3.674492371e+01 3.674492371e+01 1.94 3.335262525e+01 3.335262525e+01 1.96 3.021520946e+01 3.021520946e+01 1.98 2.731423881e+01 2.731423881e+01 2.00 2.463233944e+01 2.463233944e+01 2.02 2.215310892e+01 2.215310892e+01 2.04 1.986109351e+01 1.986109351e+01 2.06 1.774181112e+01 1.774181112e+01 2.08 1.578174398e+01 1.578174398e+01 2.10 1.396831102e+01 1.396831102e+01 2.12 1.228984810e+01 1.228984810e+01 2.14 1.073561442e+01 1.073561442e+01 2.16 9.295821686e+00 9.295821686e+00 2.18 7.961657205e+00 7.961657205e+00 2.20 6.725271590e+00 6.725271590e+00 2.22 5.579711983e+00 5.579711983e+00 2.24 4.518807391e+00 4.518807391e+00 2.26 3.537025476e+00 3.537025476e+00 2.28 2.629325400e+00 2.629325400e+00 2.30 1.791029157e+00 1.791029157e+00 2.32 1.017721750e+00 1.017721750e+00 2.34 3.051909663e-01 3.051909663e-01 2.36 -3.506003756e-01 -3.506003756e-01 2.38 -9.535126549e-01 -9.535126549e-01 2.40 -1.507210976e+00 -1.507210976e+00 2.42 -2.015141913e+00 -2.015141913e+00 2.44 -2.480513826e+00 -2.480513826e+00 2.46 -2.906287486e+00 -2.906287486e+00 2.48 -3.295176635e+00 -3.295176635e+00 2.50 -3.649657047e+00 -3.649657047e+00 2.52 -3.971981041e+00 -3.971981041e+00 2.54 -4.264188002e+00 -4.264188002e+00 2.56 -4.527992149e+00 -4.527992149e+00 2.58 -4.765146931e+00 -4.765146931e+00 2.60 -4.977339825e+00 -4.977339825e+00 2.62 -5.166114122e+00 -5.166114122e+00 2.64 -5.332848668e+00 -5.332848668e+00 2.66 -5.478830282e+00 -5.478830282e+00 2.68 -5.605399636e+00 -5.605399636e+00 2.70 -5.713829676e+00 -5.713829676e+00 2.72 -5.805205140e+00 -5.805205140e+00 2.74 -5.880112807e+00 -5.880112807e+00 2.76 -5.939081191e+00 -5.939081191e+00 2.78 -5.982688237e+00 -5.982688237e+00 2.80 -6.011546585e+00 -6.011546585e+00 2.82 -6.026194663e+00 -6.026194663e+00 2.84 -6.027097368e+00 -6.027097368e+00 2.86 -6.014779297e+00 -6.014779297e+00 2.88 -5.989831436e+00 -5.989831436e+00 2.90 -5.952913248e+00 -5.952913248e+00 2.92 -5.904756029e+00 -5.904756029e+00 2.94 -5.846164434e+00 -5.846164434e+00 2.96 -5.778013022e+00 -5.778013022e+00 2.98 -5.701235303e+00 -5.701235303e+00 3.00 -5.616804067e+00 -5.616804067e+00 3.02 -5.525703564e+00 -5.525703564e+00 3.04 -5.428895838e+00 -5.428895838e+00 3.06 -5.327286191e+00 -5.327286191e+00 3.08 -5.221689730e+00 -5.221689730e+00 3.10 -5.112806979e+00 -5.112806979e+00 3.12 -5.001208377e+00 -5.001208377e+00 3.14 -4.887331546e+00 -4.887331546e+00 3.16 -4.771486721e+00 -4.771486721e+00 3.18 -4.653873743e+00 -4.653873743e+00 3.20 -4.534603789e+00 -4.534603789e+00 3.22 -4.413724866e+00 -4.413724866e+00 3.24 -4.291248314e+00 -4.291248314e+00 3.26 -4.167174385e+00 -4.167174385e+00 3.28 -4.041515463e+00 -4.041515463e+00 3.30 -3.914315966e+00 -3.914315966e+00 3.32 -3.785668344e+00 -3.785668344e+00 3.34 -3.655724854e+00 -3.655724854e+00 3.36 -3.524704931e+00 -3.524704931e+00 3.38 -3.392897998e+00 -3.392897998e+00 3.40 -3.260704728e+00 -3.260704728e+00 3.42 -3.128479790e+00 -3.128479790e+00 3.44 -2.996494262e+00 -2.996494262e+00 3.46 -2.865093947e+00 -2.865093947e+00 3.48 -2.734311299e+00 -2.734311299e+00 3.50 -2.604133533e+00 -2.604133533e+00 3.52 -2.474807552e+00 -2.474807552e+00 3.54 -2.346769276e+00 -2.346769276e+00 3.56 -2.220564516e+00 -2.220564516e+00 3.58 -2.096776316e+00 -2.096776316e+00 3.60 -1.975964848e+00 -1.975964848e+00 3.62 -1.858623627e+00 -1.858623627e+00 3.64 -1.745153199e+00 -1.745153199e+00 3.66 -1.635851151e+00 -1.635851151e+00 3.68 -1.530915575e+00 -1.530915575e+00 3.70 -1.430458094e+00 -1.430458094e+00 3.72 -1.334522354e+00 -1.334522354e+00 3.74 -1.243104189e+00 -1.243104189e+00 3.76 -1.156170398e+00 -1.156170398e+00 3.78 -1.073673976e+00 -1.073673976e+00 3.80 -9.955646205e-01 -9.955646205e-01 3.82 -9.217941951e-01 -9.217941951e-01 3.84 -8.523175614e-01 -8.523175614e-01 3.86 -7.870897545e-01 -7.870897545e-01 3.88 -7.260607749e-01 -7.260607749e-01 3.90 -6.691693876e-01 -6.691693876e-01 3.92 -6.163370737e-01 -6.163370737e-01 3.94 -5.674640153e-01 -5.674640153e-01 3.96 -5.224255363e-01 -5.224255363e-01 3.98 -4.810723357e-01 -4.810723357e-01 4.00 -4.432319924e-01 -4.432319924e-01 4.02 -4.087123652e-01 -4.087123652e-01 4.04 -3.773061833e-01 -3.773061833e-01 4.06 -3.487962086e-01 -3.487962086e-01 4.08 -3.229605349e-01 -3.229605349e-01 4.10 -2.995771374e-01 -2.995771374e-01 4.12 -2.784292572e-01 -2.784292572e-01 4.14 -2.593071016e-01 -2.593071016e-01 4.16 -2.420134258e-01 -2.420134258e-01 4.18 -2.263631967e-01 -2.263631967e-01 4.20 -2.121849375e-01 -2.121849375e-01 4.22 -1.993213821e-01 -1.993213821e-01 4.24 -1.876295618e-01 -1.876295618e-01 4.26 -1.769804692e-01 -1.769804692e-01 4.28 -1.672584241e-01 -1.672584241e-01 4.30 -1.583602422e-01 -1.583602422e-01 4.32 -1.501942878e-01 -1.501942878e-01 4.34 -1.426794737e-01 -1.426794737e-01 4.36 -1.357442547e-01 -1.357442547e-01 4.38 -1.293256485e-01 -1.293256485e-01 4.40 -1.233683054e-01 -1.233683054e-01 4.42 -1.178236425e-01 -1.178236425e-01 4.44 -1.126490465e-01 -1.126490465e-01 4.46 -1.078071522e-01 -1.078071522e-01 4.48 -1.032651926e-01 -1.032651926e-01 4.50 -9.899441985e-02 -9.899441985e-02 4.52 -9.496959136e-02 -9.496959136e-02 4.54 -9.116851813e-02 -9.116851813e-02 4.56 -8.757166674e-02 -8.757166674e-02 4.58 -8.416181189e-02 -8.416181189e-02 4.60 -8.092373338e-02 -8.092373338e-02 4.62 -7.784395252e-02 -7.784395252e-02 4.64 -7.491050328e-02 -7.491050328e-02 4.66 -7.211273389e-02 -7.211273389e-02 4.68 -6.944113503e-02 -6.944113503e-02 4.70 -6.688719115e-02 -6.688719115e-02 4.72 -6.444325193e-02 -6.444325193e-02 4.74 -6.210242116e-02 -6.210242116e-02 4.76 -5.985846063e-02 -5.985846063e-02 4.78 -5.770570706e-02 -5.770570706e-02 4.80 -5.563879441e-02 -5.563879441e-02 4.82 -5.365345149e-02 -5.365345149e-02 4.84 -5.174509156e-02 -5.174509156e-02 4.86 -4.990970021e-02 -4.990970021e-02 4.88 -4.814358930e-02 -4.814358930e-02 4.90 -4.644333779e-02 -4.644333779e-02 4.92 -4.480575733e-02 -4.480575733e-02 4.94 -4.322786585e-02 -4.322786585e-02 4.96 -4.170686463e-02 -4.170686463e-02 4.98 -4.024011821e-02 -4.024011821e-02 5.00 -3.882513716e-02 -3.882513716e-02 5.02 -3.745956327e-02 -3.745956327e-02 5.04 -3.614115686e-02 -3.614115686e-02 5.06 -3.486778619e-02 -3.486778619e-02 5.08 -3.363741879e-02 -3.363741879e-02 5.10 -3.244811471e-02 -3.244811471e-02 5.12 -3.129802169e-02 -3.129802169e-02 5.14 -3.018537216e-02 -3.018537216e-02 5.16 -2.910848234e-02 -2.910848234e-02 5.18 -2.806575318e-02 -2.806575318e-02 5.20 -2.705567342e-02 -2.705567342e-02 5.22 -2.607682448e-02 -2.607682448e-02 5.24 -2.512788715e-02 -2.512788715e-02 5.26 -2.420764970e-02 -2.420764970e-02 5.28 -2.331501690e-02 -2.331501690e-02 5.30 -2.244901912e-02 -2.244901912e-02 5.32 -2.160882061e-02 -2.160882061e-02 5.34 -2.079372524e-02 -2.079372524e-02 5.36 -2.000315153e-02 -2.000315153e-02 5.38 -1.923667466e-02 -1.923667466e-02 5.40 -1.849402116e-02 -1.849402116e-02 5.42 -1.777503218e-02 -1.777503218e-02 5.44 -1.707964058e-02 -1.707964058e-02 5.46 -1.640784146e-02 -1.640784146e-02 5.48 -1.575965758e-02 -1.575965758e-02 5.50 -1.513510209e-02 -1.513510209e-02 5.52 -1.453414159e-02 -1.453414159e-02 5.54 -1.395666262e-02 -1.395666262e-02 5.56 -1.340244450e-02 -1.340244450e-02 5.58 -1.287114076e-02 -1.287114076e-02 5.60 -1.236227011e-02 -1.236227011e-02 5.62 -1.187521716e-02 -1.187521716e-02 5.64 -1.140924175e-02 -1.140924175e-02 5.66 -1.096349502e-02 -1.096349502e-02 5.68 -1.053704011e-02 -1.053704011e-02 5.70 -1.012887507e-02 -1.012887507e-02 5.72 -9.737955944e-03 -9.737955944e-03 5.74 -9.363218345e-03 -9.363218345e-03 5.76 -9.003596464e-03 -9.003596464e-03 5.78 -8.658038802e-03 -8.658038802e-03 5.80 -8.325520532e-03 -8.325520532e-03 5.82 -8.005052615e-03 -8.005052615e-03 5.84 -7.695688095e-03 -7.695688095e-03 5.86 -7.396526098e-03 -7.396526098e-03 5.88 -7.106714123e-03 -7.106714123e-03 5.90 -6.825449198e-03 -6.825449198e-03 5.92 -6.551978436e-03 -6.551978436e-03 5.94 -6.285599466e-03 -6.285599466e-03 5.96 -6.025661106e-03 -6.025661106e-03 5.98 -5.771564604e-03 -5.771564604e-03 6.00 -5.522765647e-03 -5.522765647e-03