# 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 = Au2MoPb # 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 4.120887090e+02 4.120887090e+02 1.30 3.836920938e+02 3.836920938e+02 1.32 3.572926705e+02 3.572926705e+02 1.34 3.327448970e+02 3.327448970e+02 1.36 3.099194213e+02 3.099194213e+02 1.38 2.886971943e+02 2.886971943e+02 1.40 2.689650561e+02 2.689650561e+02 1.42 2.506136156e+02 2.506136156e+02 1.44 2.335375371e+02 2.335375371e+02 1.46 2.176370957e+02 2.176370957e+02 1.48 2.028195352e+02 2.028195352e+02 1.50 1.889996619e+02 1.889996619e+02 1.52 1.760998788e+02 1.760998788e+02 1.54 1.640498175e+02 1.640498175e+02 1.56 1.527856593e+02 1.527856593e+02 1.58 1.422492761e+02 1.422492761e+02 1.60 1.323874577e+02 1.323874577e+02 1.62 1.231513591e+02 1.231513591e+02 1.64 1.144961619e+02 1.144961619e+02 1.66 1.063808630e+02 1.063808630e+02 1.68 9.876813073e+01 9.876813073e+01 1.70 9.162419178e+01 9.162419178e+01 1.72 8.491871705e+01 8.491871705e+01 1.74 7.862465332e+01 7.862465332e+01 1.76 7.271792677e+01 7.271792677e+01 1.78 6.717741901e+01 6.717741901e+01 1.80 6.200447038e+01 6.200447038e+01 1.82 5.719354198e+01 5.719354198e+01 1.84 5.272511460e+01 5.272511460e+01 1.86 4.857662586e+01 4.857662586e+01 1.88 4.472605267e+01 4.472605267e+01 1.90 4.115222954e+01 4.115222954e+01 1.92 3.783513885e+01 3.783513885e+01 1.94 3.475605585e+01 3.475605585e+01 1.96 3.189756775e+01 3.189756775e+01 1.98 2.924349745e+01 2.924349745e+01 2.00 2.677880496e+01 2.677880496e+01 2.02 2.448950676e+01 2.448950676e+01 2.04 2.236261196e+01 2.236261196e+01 2.06 2.038606349e+01 2.038606349e+01 2.08 1.854867939e+01 1.854867939e+01 2.10 1.684010852e+01 1.684010852e+01 2.12 1.525079764e+01 1.525079764e+01 2.14 1.377197624e+01 1.377197624e+01 2.16 1.239563776e+01 1.239563776e+01 2.18 1.111450746e+01 1.111450746e+01 2.20 9.921987934e+00 9.921987934e+00 2.22 8.812092284e+00 8.812092284e+00 2.24 7.779369566e+00 7.779369566e+00 2.26 6.818832709e+00 6.818832709e+00 2.28 5.925889554e+00 5.925889554e+00 2.30 5.096287950e+00 5.096287950e+00 2.32 4.326065251e+00 4.326065251e+00 2.34 3.611508960e+00 3.611508960e+00 2.36 2.949130377e+00 2.949130377e+00 2.38 2.335646057e+00 2.335646057e+00 2.40 1.767966632e+00 1.767966632e+00 2.42 1.243189550e+00 1.243189550e+00 2.44 7.585912599e-01 7.585912599e-01 2.46 3.116184829e-01 3.116184829e-01 2.48 -1.001230818e-01 -1.001230818e-01 2.50 -4.788812896e-01 -4.788812896e-01 2.52 -8.267704269e-01 -8.267704269e-01 2.54 -1.145735120e+00 -1.145735120e+00 2.56 -1.437568182e+00 -1.437568182e+00 2.58 -1.704180665e+00 -1.704180665e+00 2.60 -1.947380228e+00 -1.947380228e+00 2.62 -2.168857795e+00 -2.168857795e+00 2.64 -2.370187750e+00 -2.370187750e+00 2.66 -2.552825133e+00 -2.552825133e+00 2.68 -2.718105917e+00 -2.718105917e+00 2.70 -2.867235588e+00 -2.867235588e+00 2.72 -3.001168243e+00 -3.001168243e+00 2.74 -3.120718959e+00 -3.120718959e+00 2.76 -3.226667347e+00 -3.226667347e+00 2.78 -3.319756674e+00 -3.319756674e+00 2.80 -3.400691885e+00 -3.400691885e+00 2.82 -3.470170949e+00 -3.470170949e+00 2.84 -3.528931698e+00 -3.528931698e+00 2.86 -3.577439526e+00 -3.577439526e+00 2.88 -3.616118311e+00 -3.616118311e+00 2.90 -3.645383134e+00 -3.645383134e+00 2.92 -3.665643392e+00 -3.665643392e+00 2.94 -3.677308362e+00 -3.677308362e+00 2.96 -3.680794131e+00 -3.680794131e+00 2.98 -3.676530476e+00 -3.676530476e+00 3.00 -3.664960200e+00 -3.664960200e+00 3.02 -3.646535899e+00 -3.646535899e+00 3.04 -3.621729735e+00 -3.621729735e+00 3.06 -3.591031845e+00 -3.591031845e+00 3.08 -3.554934932e+00 -3.554934932e+00 3.10 -3.513925466e+00 -3.513925466e+00 3.12 -3.468469990e+00 -3.468469990e+00 3.14 -3.419021183e+00 -3.419021183e+00 3.16 -3.366018564e+00 -3.366018564e+00 3.18 -3.309759918e+00 -3.309759918e+00 3.20 -3.250520557e+00 -3.250520557e+00 3.22 -3.188564720e+00 -3.188564720e+00 3.24 -3.124144397e+00 -3.124144397e+00 3.26 -3.057501110e+00 -3.057501110e+00 3.28 -2.988866775e+00 -2.988866775e+00 3.30 -2.918460320e+00 -2.918460320e+00 3.32 -2.846507384e+00 -2.846507384e+00 3.34 -2.773249593e+00 -2.773249593e+00 3.36 -2.698947885e+00 -2.698947885e+00 3.38 -2.623884198e+00 -2.623884198e+00 3.40 -2.548360551e+00 -2.548360551e+00 3.42 -2.472696142e+00 -2.472696142e+00 3.44 -2.397219930e+00 -2.397219930e+00 3.46 -2.322262731e+00 -2.322262731e+00 3.48 -2.248146911e+00 -2.248146911e+00 3.50 -2.175175871e+00 -2.175175871e+00 3.52 -2.103624278e+00 -2.103624278e+00 3.54 -2.033730030e+00 -2.033730030e+00 3.56 -1.965688693e+00 -1.965688693e+00 3.58 -1.899650790e+00 -1.899650790e+00 3.60 -1.835721910e+00 -1.835721910e+00 3.62 -1.773965311e+00 -1.773965311e+00 3.64 -1.714406430e+00 -1.714406430e+00 3.66 -1.657038601e+00 -1.657038601e+00 3.68 -1.601829280e+00 -1.601829280e+00 3.70 -1.548726151e+00 -1.548726151e+00 3.72 -1.497662651e+00 -1.497662651e+00 3.74 -1.448562614e+00 -1.448562614e+00 3.76 -1.401343927e+00 -1.401343927e+00 3.78 -1.355921250e+00 -1.355921250e+00 3.80 -1.312207955e+00 -1.312207955e+00 3.82 -1.270117492e+00 -1.270117492e+00 3.84 -1.229564397e+00 -1.229564397e+00 3.86 -1.190465079e+00 -1.190465079e+00 3.88 -1.152738498e+00 -1.152738498e+00 3.90 -1.116306750e+00 -1.116306750e+00 3.92 -1.081095117e+00 -1.081095117e+00 3.94 -1.047034348e+00 -1.047034348e+00 3.96 -1.014057908e+00 -1.014057908e+00 3.98 -9.821042085e-01 -9.821042085e-01 4.00 -9.511160368e-01 -9.511160368e-01 4.02 -9.210404728e-01 -9.210404728e-01 4.04 -8.918287513e-01 -8.918287513e-01 4.06 -8.634361246e-01 -8.634361246e-01 4.08 -8.358217580e-01 -8.358217580e-01 4.10 -8.089476239e-01 -8.089476239e-01 4.12 -7.827829852e-01 -7.827829852e-01 4.14 -7.572975008e-01 -7.572975008e-01 4.16 -7.324663060e-01 -7.324663060e-01 4.18 -7.082688900e-01 -7.082688900e-01 4.20 -6.846892410e-01 -6.846892410e-01 4.22 -6.617158874e-01 -6.617158874e-01 4.24 -6.393417696e-01 -6.393417696e-01 4.26 -6.175638777e-01 -6.175638777e-01 4.28 -5.963826166e-01 -5.963826166e-01 4.30 -5.758008943e-01 -5.758008943e-01 4.32 -5.558229711e-01 -5.558229711e-01 4.34 -5.364531545e-01 -5.364531545e-01 4.36 -5.176944606e-01 -5.176944606e-01 4.38 -4.995473757e-01 -4.995473757e-01 4.40 -4.820088490e-01 -4.820088490e-01 4.42 -4.650716098e-01 -4.650716098e-01 4.44 -4.487238595e-01 -4.487238595e-01 4.46 -4.329493313e-01 -4.329493313e-01 4.48 -4.177276661e-01 -4.177276661e-01 4.50 -4.030350230e-01 -4.030350230e-01 4.52 -3.888448271e-01 -3.888448271e-01 4.54 -3.751285673e-01 -3.751285673e-01 4.56 -3.618565698e-01 -3.618565698e-01 4.58 -3.489986991e-01 -3.489986991e-01 4.60 -3.365249623e-01 -3.365249623e-01 4.62 -3.244060111e-01 -3.244060111e-01 4.64 -3.126135533e-01 -3.126135533e-01 4.66 -3.011206928e-01 -3.011206928e-01 4.68 -2.899022238e-01 -2.899022238e-01 4.70 -2.789348998e-01 -2.789348998e-01 4.72 -2.681977006e-01 -2.681977006e-01 4.74 -2.576721086e-01 -2.576721086e-01 4.76 -2.473424019e-01 -2.473424019e-01 4.78 -2.371959603e-01 -2.371959603e-01 4.80 -2.272228130e-01 -2.272228130e-01 4.82 -2.174190827e-01 -2.174190827e-01 4.84 -2.077822804e-01 -2.077822804e-01 4.86 -1.983148881e-01 -1.983148881e-01 4.88 -1.890234648e-01 -1.890234648e-01 4.90 -1.799184860e-01 -1.799184860e-01 4.92 -1.710139811e-01 -1.710139811e-01 4.94 -1.623269551e-01 -1.623269551e-01 4.96 -1.538766024e-01 -1.538766024e-01 4.98 -1.456833431e-01 -1.456833431e-01 5.00 -1.377677404e-01 -1.377677404e-01 5.02 -1.301493776e-01 -1.301493776e-01 5.04 -1.228457808e-01 -1.228457808e-01 5.06 -1.158714785e-01 -1.158714785e-01 5.08 -1.092372795e-01 -1.092372795e-01 5.10 -1.029498129e-01 -1.029498129e-01 5.12 -9.701135398e-02 -9.701135398e-02 5.14 -9.141992128e-02 -9.141992128e-02 5.16 -8.616961499e-02 -8.616961499e-02 5.18 -8.125113925e-02 -8.125113925e-02 5.20 -7.665238266e-02 -7.665238266e-02 5.22 -7.235859761e-02 -7.235859761e-02 5.24 -6.835444054e-02 -6.835444054e-02 5.26 -6.462382734e-02 -6.462382734e-02 5.28 -6.115016474e-02 -6.115016474e-02 5.30 -5.791681285e-02 -5.791681285e-02 5.32 -5.490742187e-02 -5.490742187e-02 5.34 -5.210615871e-02 -5.210615871e-02 5.36 -4.949776822e-02 -4.949776822e-02 5.38 -4.706767786e-02 -4.706767786e-02 5.40 -4.480229243e-02 -4.480229243e-02 5.42 -4.268872139e-02 -4.268872139e-02 5.44 -4.071476150e-02 -4.071476150e-02 5.46 -3.886888434e-02 -3.886888434e-02 5.48 -3.714022219e-02 -3.714022219e-02 5.50 -3.551855469e-02 -3.551855469e-02 5.52 -3.399429699e-02 -3.399429699e-02 5.54 -3.255848858e-02 -3.255848858e-02 5.56 -3.120278135e-02 -3.120278135e-02 5.58 -2.991942598e-02 -2.991942598e-02 5.60 -2.870125555e-02 -2.870125555e-02 5.62 -2.754166639e-02 -2.754166639e-02 5.64 -2.643459604e-02 -2.643459604e-02 5.66 -2.537449943e-02 -2.537449943e-02 5.68 -2.435632386e-02 -2.435632386e-02 5.70 -2.337548395e-02 -2.337548395e-02 5.72 -2.242783748e-02 -2.242783748e-02 5.74 -2.150966307e-02 -2.150966307e-02 5.76 -2.061764061e-02 -2.061764061e-02 5.78 -1.974883471e-02 -1.974883471e-02 5.80 -1.890068159e-02 -1.890068159e-02 5.82 -1.807097941e-02 -1.807097941e-02 5.84 -1.725788159e-02 -1.725788159e-02 5.86 -1.645989257e-02 -1.645989257e-02 5.88 -1.567586507e-02 -1.567586507e-02 5.90 -1.490499764e-02 -1.490499764e-02 5.92 -1.414683114e-02 -1.414683114e-02 5.94 -1.340122763e-02 -1.340122763e-02 5.96 -1.266830676e-02 -1.266830676e-02 5.98 -1.194858658e-02 -1.194858658e-02 6.00 -1.124288619e-02 -1.124288619e-02