# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgAu2Cu # 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 2022-05-24 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 5.102278511e+02 5.102278511e+02 1.12 4.712161428e+02 4.712161428e+02 1.14 4.353671048e+02 4.353671048e+02 1.16 4.023964754e+02 4.023964754e+02 1.18 3.720491564e+02 3.720491564e+02 1.20 3.440945911e+02 3.440945911e+02 1.22 3.183232081e+02 3.183232081e+02 1.24 2.945446240e+02 2.945446240e+02 1.26 2.725882556e+02 2.725882556e+02 1.28 2.523024714e+02 2.523024714e+02 1.30 2.335519248e+02 2.335519248e+02 1.32 2.162143452e+02 2.162143452e+02 1.34 2.001778122e+02 2.001778122e+02 1.36 1.853384411e+02 1.853384411e+02 1.38 1.716001669e+02 1.716001669e+02 1.40 1.588743965e+02 1.588743965e+02 1.42 1.470801097e+02 1.470801097e+02 1.44 1.361437133e+02 1.361437133e+02 1.46 1.259982137e+02 1.259982137e+02 1.48 1.165830580e+02 1.165830580e+02 1.50 1.078432401e+02 1.078432401e+02 1.52 9.972850021e+01 9.972850021e+01 1.54 9.219253873e+01 9.219253873e+01 1.56 8.519206805e+01 8.519206805e+01 1.58 7.868657282e+01 7.868657282e+01 1.60 7.263844218e+01 7.263844218e+01 1.62 6.701292969e+01 6.701292969e+01 1.64 6.177843559e+01 6.177843559e+01 1.66 5.690608078e+01 5.690608078e+01 1.68 5.236951855e+01 5.236951855e+01 1.70 4.814466159e+01 4.814466159e+01 1.72 4.420948711e+01 4.420948711e+01 1.74 4.054385709e+01 4.054385709e+01 1.76 3.712932490e+01 3.712932490e+01 1.78 3.394886727e+01 3.394886727e+01 1.80 3.098661701e+01 3.098661701e+01 1.82 2.822758049e+01 2.822758049e+01 1.84 2.565753089e+01 2.565753089e+01 1.86 2.326306383e+01 2.326306383e+01 1.88 2.103165116e+01 2.103165116e+01 1.90 1.895988934e+01 1.895988934e+01 1.92 1.704419273e+01 1.704419273e+01 1.94 1.527334520e+01 1.527334520e+01 1.96 1.363776117e+01 1.363776117e+01 1.98 1.212789886e+01 1.212789886e+01 2.00 1.073462001e+01 1.073462001e+01 2.02 9.449424731e+00 9.449424731e+00 2.04 8.264453219e+00 8.264453219e+00 2.06 7.172453714e+00 7.172453714e+00 2.08 6.166710937e+00 6.166710937e+00 2.10 5.241011331e+00 5.241011331e+00 2.12 4.389573991e+00 4.389573991e+00 2.14 3.607030394e+00 3.607030394e+00 2.16 2.888372646e+00 2.888372646e+00 2.18 2.228934153e+00 2.228934153e+00 2.20 1.624399977e+00 1.624399977e+00 2.22 1.070740363e+00 1.070740363e+00 2.24 5.642632000e-01 5.642632000e-01 2.26 1.015456986e-01 1.015456986e-01 2.28 -3.205272677e-01 -3.205272677e-01 2.30 -7.048388792e-01 -7.048388792e-01 2.32 -1.054031335e+00 -1.054031335e+00 2.34 -1.370572442e+00 -1.370572442e+00 2.36 -1.656759555e+00 -1.656759555e+00 2.38 -1.914746035e+00 -1.914746035e+00 2.40 -2.146549244e+00 -2.146549244e+00 2.42 -2.354058137e+00 -2.354058137e+00 2.44 -2.539041432e+00 -2.539041432e+00 2.46 -2.703155493e+00 -2.703155493e+00 2.48 -2.847960298e+00 -2.847960298e+00 2.50 -2.974933072e+00 -2.974933072e+00 2.52 -3.085472873e+00 -3.085472873e+00 2.54 -3.180927192e+00 -3.180927192e+00 2.56 -3.262578356e+00 -3.262578356e+00 2.58 -3.331659693e+00 -3.331659693e+00 2.60 -3.389407806e+00 -3.389407806e+00 2.62 -3.437062040e+00 -3.437062040e+00 2.64 -3.475504964e+00 -3.475504964e+00 2.66 -3.505558570e+00 -3.505558570e+00 2.68 -3.528211898e+00 -3.528211898e+00 2.70 -3.543989618e+00 -3.543989618e+00 2.72 -3.553248880e+00 -3.553248880e+00 2.74 -3.556341078e+00 -3.556341078e+00 2.76 -3.553604044e+00 -3.553604044e+00 2.78 -3.545352248e+00 -3.545352248e+00 2.80 -3.531882941e+00 -3.531882941e+00 2.82 -3.513489162e+00 -3.513489162e+00 2.84 -3.490475298e+00 -3.490475298e+00 2.86 -3.463233826e+00 -3.463233826e+00 2.88 -3.432012108e+00 -3.432012108e+00 2.90 -3.396996175e+00 -3.396996175e+00 2.92 -3.358391620e+00 -3.358391620e+00 2.94 -3.316426219e+00 -3.316426219e+00 2.96 -3.271350813e+00 -3.271350813e+00 2.98 -3.223440591e+00 -3.223440591e+00 3.00 -3.172995336e+00 -3.172995336e+00 3.02 -3.120341594e+00 -3.120341594e+00 3.04 -3.065828275e+00 -3.065828275e+00 3.06 -3.009814705e+00 -3.009814705e+00 3.08 -2.952652809e+00 -2.952652809e+00 3.10 -2.894675570e+00 -2.894675570e+00 3.12 -2.836183481e+00 -2.836183481e+00 3.14 -2.777434253e+00 -2.777434253e+00 3.16 -2.718637026e+00 -2.718637026e+00 3.18 -2.659953203e+00 -2.659953203e+00 3.20 -2.601500053e+00 -2.601500053e+00 3.22 -2.543357646e+00 -2.543357646e+00 3.24 -2.485578114e+00 -2.485578114e+00 3.26 -2.428198187e+00 -2.428198187e+00 3.28 -2.371238616e+00 -2.371238616e+00 3.30 -2.314715430e+00 -2.314715430e+00 3.32 -2.258644361e+00 -2.258644361e+00 3.34 -2.203044646e+00 -2.203044646e+00 3.36 -2.147937882e+00 -2.147937882e+00 3.38 -2.093347889e+00 -2.093347889e+00 3.40 -2.039318747e+00 -2.039318747e+00 3.42 -1.985883383e+00 -1.985883383e+00 3.44 -1.933080771e+00 -1.933080771e+00 3.46 -1.880955298e+00 -1.880955298e+00 3.48 -1.829548385e+00 -1.829548385e+00 3.50 -1.778900298e+00 -1.778900298e+00 3.52 -1.729049501e+00 -1.729049501e+00 3.54 -1.680026963e+00 -1.680026963e+00 3.56 -1.631862110e+00 -1.631862110e+00 3.58 -1.584574831e+00 -1.584574831e+00 3.60 -1.538182298e+00 -1.538182298e+00 3.62 -1.492694031e+00 -1.492694031e+00 3.64 -1.448114571e+00 -1.448114571e+00 3.66 -1.404444345e+00 -1.404444345e+00 3.68 -1.361679612e+00 -1.361679612e+00 3.70 -1.319815132e+00 -1.319815132e+00 3.72 -1.278843982e+00 -1.278843982e+00 3.74 -1.238758825e+00 -1.238758825e+00 3.76 -1.199554813e+00 -1.199554813e+00 3.78 -1.161226969e+00 -1.161226969e+00 3.80 -1.123775814e+00 -1.123775814e+00 3.82 -1.087200524e+00 -1.087200524e+00 3.84 -1.051505988e+00 -1.051505988e+00 3.86 -1.016693231e+00 -1.016693231e+00 3.88 -9.827663090e-01 -9.827663090e-01 3.90 -9.497237749e-01 -9.497237749e-01 3.92 -9.175620387e-01 -9.175620387e-01 3.94 -8.862711843e-01 -8.862711843e-01 3.96 -8.558320924e-01 -8.558320924e-01 3.98 -8.262314610e-01 -8.262314610e-01 4.00 -7.974384744e-01 -7.974384744e-01 4.02 -7.694211292e-01 -7.694211292e-01 4.04 -7.421453556e-01 -7.421453556e-01 4.06 -7.155748954e-01 -7.155748954e-01 4.08 -6.896705628e-01 -6.896705628e-01 4.10 -6.643957312e-01 -6.643957312e-01 4.12 -6.397147037e-01 -6.397147037e-01 4.14 -6.155943299e-01 -6.155943299e-01 4.16 -5.920056083e-01 -5.920056083e-01 4.18 -5.689239776e-01 -5.689239776e-01 4.20 -5.463325422e-01 -5.463325422e-01 4.22 -5.242185504e-01 -5.242185504e-01 4.24 -5.025785221e-01 -5.025785221e-01 4.26 -4.814154805e-01 -4.814154805e-01 4.28 -4.607390449e-01 -4.607390449e-01 4.30 -4.405663544e-01 -4.405663544e-01 4.32 -4.209193513e-01 -4.209193513e-01 4.34 -4.018240615e-01 -4.018240615e-01 4.36 -3.833082228e-01 -3.833082228e-01 4.38 -3.654002938e-01 -3.654002938e-01 4.40 -3.481271057e-01 -3.481271057e-01 4.42 -3.315103536e-01 -3.315103536e-01 4.44 -3.155677090e-01 -3.155677090e-01 4.46 -3.003102497e-01 -3.003102497e-01 4.48 -2.857405077e-01 -2.857405077e-01 4.50 -2.718542225e-01 -2.718542225e-01 4.52 -2.586386757e-01 -2.586386757e-01 4.54 -2.460737889e-01 -2.460737889e-01 4.56 -2.341317427e-01 -2.341317427e-01 4.58 -2.227797347e-01 -2.227797347e-01 4.60 -2.119799590e-01 -2.119799590e-01 4.62 -2.016918475e-01 -2.016918475e-01 4.64 -1.918715741e-01 -1.918715741e-01 4.66 -1.824756435e-01 -1.824756435e-01 4.68 -1.734609547e-01 -1.734609547e-01 4.70 -1.647857152e-01 -1.647857152e-01 4.72 -1.564107392e-01 -1.564107392e-01 4.74 -1.483005919e-01 -1.483005919e-01 4.76 -1.404234154e-01 -1.404234154e-01 4.78 -1.327519190e-01 -1.327519190e-01 4.80 -1.252641894e-01 -1.252641894e-01 4.82 -1.179436940e-01 -1.179436940e-01 4.84 -1.107791409e-01 -1.107791409e-01 4.86 -1.037652821e-01 -1.037652821e-01 4.88 -9.690284569e-02 -9.690284569e-02 4.90 -9.019733578e-02 -9.019733578e-02 4.92 -8.365963640e-02 -8.365963640e-02 4.94 -7.730488938e-02 -7.730488938e-02 4.96 -7.115142479e-02 -7.115142479e-02 4.98 -6.521955988e-02 -6.521955988e-02 5.00 -5.953083877e-02 -5.953083877e-02 5.02 -5.410640645e-02 -5.410640645e-02 5.04 -4.896532249e-02 -4.896532249e-02 5.06 -4.412401829e-02 -4.412401829e-02 5.08 -3.959518322e-02 -3.959518322e-02 5.10 -3.538678499e-02 -3.538678499e-02 5.12 -3.150186484e-02 -3.150186484e-02 5.14 -2.793905082e-02 -2.793905082e-02 5.16 -2.469255112e-02 -2.469255112e-02 5.18 -2.175210645e-02 -2.175210645e-02 5.20 -1.910421129e-02 -1.910421129e-02 5.22 -1.673257413e-02 -1.673257413e-02 5.24 -1.461859288e-02 -1.461859288e-02 5.26 -1.274301790e-02 -1.274301790e-02 5.28 -1.108605197e-02 -1.108605197e-02 5.30 -9.627834342e-03 -9.627834342e-03 5.32 -8.348824132e-03 -8.348824132e-03 5.34 -7.230410824e-03 -7.230410824e-03 5.36 -6.255011873e-03 -6.255011873e-03 5.38 -5.406328824e-03 -5.406328824e-03 5.40 -4.669349878e-03 -4.669349878e-03 5.42 -4.030477843e-03 -4.030477843e-03 5.44 -3.477481562e-03 -3.477481562e-03 5.46 -2.999380756e-03 -2.999380756e-03 5.48 -2.586456623e-03 -2.586456623e-03 5.50 -2.230116035e-03 -2.230116035e-03 5.52 -1.922818703e-03 -1.922818703e-03 5.54 -1.657935819e-03 -1.657935819e-03 5.56 -1.429703955e-03 -1.429703955e-03 5.58 -1.233109514e-03 -1.233109514e-03 5.60 -1.061756195e-03 -1.061756195e-03 5.62 -9.162031178e-04 -9.162031178e-04 5.64 -7.908461924e-04 -7.908461924e-04 5.66 -6.828737243e-04 -6.828737243e-04 5.68 -5.898602420e-04 -5.898602420e-04 5.70 -5.097176764e-04 -5.097176764e-04 5.72 -4.406493981e-04 -4.406493981e-04 5.74 -3.811040183e-04 -3.811040183e-04 5.76 -3.297541995e-04 -3.297541995e-04 5.78 -2.854566055e-04 -2.854566055e-04 5.80 -2.472261709e-04 -2.472261709e-04 5.82 -2.142204905e-04 -2.142204905e-04 5.84 -1.857119467e-04 -1.857119467e-04 5.86 -1.610780218e-04 -1.610780218e-04 5.88 -1.397814229e-04 -1.397814229e-04 5.90 -1.213625329e-04 -1.213625329e-04 5.92 -1.054245412e-04 -1.054245412e-04 5.94 -9.162592926e-05 -9.162592926e-05 5.96 -7.967469089e-05 -7.967469089e-05 5.98 -6.931783579e-05 -6.931783579e-05 6.00 -6.033826638e-05 -6.033826638e-05