# 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 = AuCuTi2 # 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 2.454905007e+02 2.454905007e+02 1.30 2.272518268e+02 2.272518268e+02 1.32 2.103845911e+02 2.103845911e+02 1.34 1.947792275e+02 1.947792275e+02 1.36 1.803336652e+02 1.803336652e+02 1.38 1.669540813e+02 1.669540813e+02 1.40 1.545551734e+02 1.545551734e+02 1.42 1.430594435e+02 1.430594435e+02 1.44 1.323960354e+02 1.323960354e+02 1.46 1.224997796e+02 1.224997796e+02 1.48 1.133107295e+02 1.133107295e+02 1.50 1.047740966e+02 1.047740966e+02 1.52 9.684017825e+01 9.684017825e+01 1.54 8.946393676e+01 8.946393676e+01 1.56 8.260425347e+01 8.260425347e+01 1.58 7.622315536e+01 7.622315536e+01 1.60 7.028536228e+01 7.028536228e+01 1.62 6.475824514e+01 6.475824514e+01 1.64 5.961193126e+01 5.961193126e+01 1.66 5.481925849e+01 5.481925849e+01 1.68 5.035557684e+01 5.035557684e+01 1.70 4.619854458e+01 4.619854458e+01 1.72 4.232790076e+01 4.232790076e+01 1.74 3.872506645e+01 3.872506645e+01 1.76 3.537260413e+01 3.537260413e+01 1.78 3.225765569e+01 3.225765569e+01 1.80 2.937267991e+01 2.937267991e+01 1.82 2.670104678e+01 2.670104678e+01 1.84 2.422671392e+01 2.422671392e+01 1.86 2.193490362e+01 2.193490362e+01 1.88 1.981205771e+01 1.981205771e+01 1.90 1.784572986e+01 1.784572986e+01 1.92 1.602445127e+01 1.602445127e+01 1.94 1.433762152e+01 1.433762152e+01 1.96 1.277544548e+01 1.277544548e+01 1.98 1.132890301e+01 1.132890301e+01 2.00 9.989718608e+00 9.989718608e+00 2.02 8.750304099e+00 8.750304099e+00 2.04 7.603675966e+00 7.603675966e+00 2.06 6.543374582e+00 6.543374582e+00 2.08 5.563412478e+00 5.563412478e+00 2.10 4.658254417e+00 4.658254417e+00 2.12 3.822805834e+00 3.822805834e+00 2.14 3.052386296e+00 3.052386296e+00 2.16 2.342682244e+00 2.342682244e+00 2.18 1.689687639e+00 1.689687639e+00 2.20 1.089643587e+00 1.089643587e+00 2.22 5.389836340e-01 5.389836340e-01 2.24 3.429191684e-02 3.429191684e-02 2.26 -4.277192424e-01 -4.277192424e-01 2.28 -8.502095930e-01 -8.502095930e-01 2.30 -1.236192345e+00 -1.236192345e+00 2.32 -1.588507156e+00 -1.588507156e+00 2.34 -1.909791447e+00 -1.909791447e+00 2.36 -2.202457803e+00 -2.202457803e+00 2.38 -2.468683640e+00 -2.468683640e+00 2.40 -2.710419049e+00 -2.710419049e+00 2.42 -2.929412807e+00 -2.929412807e+00 2.44 -3.127249186e+00 -3.127249186e+00 2.46 -3.305386145e+00 -3.305386145e+00 2.48 -3.465186507e+00 -3.465186507e+00 2.50 -3.607938468e+00 -3.607938468e+00 2.52 -3.734865475e+00 -3.734865475e+00 2.54 -3.847128241e+00 -3.847128241e+00 2.56 -3.945822981e+00 -3.945822981e+00 2.58 -4.031979491e+00 -4.031979491e+00 2.60 -4.106560984e+00 -4.106560984e+00 2.62 -4.170556623e+00 -4.170556623e+00 2.64 -4.224788806e+00 -4.224788806e+00 2.66 -4.269918765e+00 -4.269918765e+00 2.68 -4.306583597e+00 -4.306583597e+00 2.70 -4.335393452e+00 -4.335393452e+00 2.72 -4.356928604e+00 -4.356928604e+00 2.74 -4.371735778e+00 -4.371735778e+00 2.76 -4.380323598e+00 -4.380323598e+00 2.78 -4.383081532e+00 -4.383081532e+00 2.80 -4.380204742e+00 -4.380204742e+00 2.82 -4.372010266e+00 -4.372010266e+00 2.84 -4.358844993e+00 -4.358844993e+00 2.86 -4.340668337e+00 -4.340668337e+00 2.88 -4.317502147e+00 -4.317502147e+00 2.90 -4.289439290e+00 -4.289439290e+00 2.92 -4.256635208e+00 -4.256635208e+00 2.94 -4.219299690e+00 -4.219299690e+00 2.96 -4.177689475e+00 -4.177689475e+00 2.98 -4.132102524e+00 -4.132102524e+00 3.00 -4.082882269e+00 -4.082882269e+00 3.02 -4.030409902e+00 -4.030409902e+00 3.04 -3.975084147e+00 -3.975084147e+00 3.06 -3.917308159e+00 -3.917308159e+00 3.08 -3.857472783e+00 -3.857472783e+00 3.10 -3.795940214e+00 -3.795940214e+00 3.12 -3.733030478e+00 -3.733030478e+00 3.14 -3.669014356e+00 -3.669014356e+00 3.16 -3.604112268e+00 -3.604112268e+00 3.18 -3.538499161e+00 -3.538499161e+00 3.20 -3.472312115e+00 -3.472312115e+00 3.22 -3.405658942e+00 -3.405658942e+00 3.24 -3.338626239e+00 -3.338626239e+00 3.26 -3.271286190e+00 -3.271286190e+00 3.28 -3.203701939e+00 -3.203701939e+00 3.30 -3.135931716e+00 -3.135931716e+00 3.32 -3.068031925e+00 -3.068031925e+00 3.34 -3.000059459e+00 -3.000059459e+00 3.36 -2.932073423e+00 -2.932073423e+00 3.38 -2.864136440e+00 -2.864136440e+00 3.40 -2.796315694e+00 -2.796315694e+00 3.42 -2.728683991e+00 -2.728683991e+00 3.44 -2.661320526e+00 -2.661320526e+00 3.46 -2.594311913e+00 -2.594311913e+00 3.48 -2.527752817e+00 -2.527752817e+00 3.50 -2.461746004e+00 -2.461746004e+00 3.52 -2.396401281e+00 -2.396401281e+00 3.54 -2.331832884e+00 -2.331832884e+00 3.56 -2.268155149e+00 -2.268155149e+00 3.58 -2.205476829e+00 -2.205476829e+00 3.60 -2.143894900e+00 -2.143894900e+00 3.62 -2.083489065e+00 -2.083489065e+00 3.64 -2.024318099e+00 -2.024318099e+00 3.66 -1.966418730e+00 -1.966418730e+00 3.68 -1.909807117e+00 -1.909807117e+00 3.70 -1.854482396e+00 -1.854482396e+00 3.72 -1.800431415e+00 -1.800431415e+00 3.74 -1.747633755e+00 -1.747633755e+00 3.76 -1.696066268e+00 -1.696066268e+00 3.78 -1.645706654e+00 -1.645706654e+00 3.80 -1.596535810e+00 -1.596535810e+00 3.82 -1.548538931e+00 -1.548538931e+00 3.84 -1.501705456e+00 -1.501705456e+00 3.86 -1.456028097e+00 -1.456028097e+00 3.88 -1.411501244e+00 -1.411501244e+00 3.90 -1.368119103e+00 -1.368119103e+00 3.92 -1.325873836e+00 -1.325873836e+00 3.94 -1.284754294e+00 -1.284754294e+00 3.96 -1.244744727e+00 -1.244744727e+00 3.98 -1.205824608e+00 -1.205824608e+00 4.00 -1.167968692e+00 -1.167968692e+00 4.02 -1.131147535e+00 -1.131147535e+00 4.04 -1.095328283e+00 -1.095328283e+00 4.06 -1.060475592e+00 -1.060475592e+00 4.08 -1.026552568e+00 -1.026552568e+00 4.10 -9.935215472e-01 -9.935215472e-01 4.12 -9.613454245e-01 -9.613454245e-01 4.14 -9.299876324e-01 -9.299876324e-01 4.16 -8.994133844e-01 -8.994133844e-01 4.18 -8.695901790e-01 -8.695901790e-01 4.20 -8.404884117e-01 -8.404884117e-01 4.22 -8.120819479e-01 -8.120819479e-01 4.24 -7.843486420e-01 -7.843486420e-01 4.26 -7.572707783e-01 -7.572707783e-01 4.28 -7.308353977e-01 -7.308353977e-01 4.30 -7.050344703e-01 -7.050344703e-01 4.32 -6.798648764e-01 -6.798648764e-01 4.34 -6.553281616e-01 -6.553281616e-01 4.36 -6.314300419e-01 -6.314300419e-01 4.38 -6.081796511e-01 -6.081796511e-01 4.40 -5.855885383e-01 -5.855885383e-01 4.42 -5.636694492e-01 -5.636694492e-01 4.44 -5.424349522e-01 -5.424349522e-01 4.46 -5.218959956e-01 -5.218959956e-01 4.48 -5.020605090e-01 -5.020605090e-01 4.50 -4.829321672e-01 -4.829321672e-01 4.52 -4.645094306e-01 -4.645094306e-01 4.54 -4.467849467e-01 -4.467849467e-01 4.56 -4.297453573e-01 -4.297453573e-01 4.58 -4.133715059e-01 -4.133715059e-01 4.60 -3.976389961e-01 -3.976389961e-01 4.62 -3.825190193e-01 -3.825190193e-01 4.64 -3.679793552e-01 -3.679793552e-01 4.66 -3.539854499e-01 -3.539854499e-01 4.68 -3.405014907e-01 -3.405014907e-01 4.70 -3.274914205e-01 -3.274914205e-01 4.72 -3.149198555e-01 -3.149198555e-01 4.74 -3.027528946e-01 -3.027528946e-01 4.76 -2.909588213e-01 -2.909588213e-01 4.78 -2.795087083e-01 -2.795087083e-01 4.80 -2.683768554e-01 -2.683768554e-01 4.82 -2.575415802e-01 -2.575415802e-01 4.84 -2.469850489e-01 -2.469850489e-01 4.86 -2.366939437e-01 -2.366939437e-01 4.88 -2.266595515e-01 -2.266595515e-01 4.90 -2.168778216e-01 -2.168778216e-01 4.92 -2.073492617e-01 -2.073492617e-01 4.94 -1.980786367e-01 -1.980786367e-01 4.96 -1.890744504e-01 -1.890744504e-01 4.98 -1.803481993e-01 -1.803481993e-01 5.00 -1.719134189e-01 -1.719134189e-01 5.02 -1.637845669e-01 -1.637845669e-01 5.04 -1.559758174e-01 -1.559758174e-01 5.06 -1.484998598e-01 -1.484998598e-01 5.08 -1.413668073e-01 -1.413668073e-01 5.10 -1.345833098e-01 -1.345833098e-01 5.12 -1.281519422e-01 -1.281519422e-01 5.14 -1.220709130e-01 -1.220709130e-01 5.16 -1.163340895e-01 -1.163340895e-01 5.18 -1.109313043e-01 -1.109313043e-01 5.20 -1.058487091e-01 -1.058487091e-01 5.22 -1.010694387e-01 -1.010694387e-01 5.24 -9.657519966e-02 -9.657519966e-02 5.26 -9.234618869e-02 -9.234618869e-02 5.28 -8.836175763e-02 -8.836175763e-02 5.30 -8.460103445e-02 -8.460103445e-02 5.32 -8.104342194e-02 -8.104342194e-02 5.34 -7.766897460e-02 -7.766897460e-02 5.36 -7.445866423e-02 -7.445866423e-02 5.38 -7.139455151e-02 -7.139455151e-02 5.40 -6.845988287e-02 -6.845988287e-02 5.42 -6.563913295e-02 -6.563913295e-02 5.44 -6.291801069e-02 -6.291801069e-02 5.46 -6.028344546e-02 -6.028344546e-02 5.48 -5.772356653e-02 -5.772356653e-02 5.50 -5.522768633e-02 -5.522768633e-02 5.52 -5.278629551e-02 -5.278629551e-02 5.54 -5.039107459e-02 -5.039107459e-02 5.56 -4.803492457e-02 -4.803492457e-02 5.58 -4.571201592e-02 -4.571201592e-02 5.60 -4.341785238e-02 -4.341785238e-02 5.62 -4.114934308e-02 -4.114934308e-02 5.64 -3.890487344e-02 -3.890487344e-02 5.66 -3.668436263e-02 -3.668436263e-02 5.68 -3.448929336e-02 -3.448929336e-02 5.70 -3.232269915e-02 -3.232269915e-02 5.72 -3.018909481e-02 -3.018909481e-02 5.74 -2.809433920e-02 -2.809433920e-02 5.76 -2.604542430e-02 -2.604542430e-02 5.78 -2.405019233e-02 -2.405019233e-02 5.80 -2.211698935e-02 -2.211698935e-02 5.82 -2.025427552e-02 -2.025427552e-02 5.84 -1.847021668e-02 -1.847021668e-02 5.86 -1.677228676e-02 -1.677228676e-02 5.88 -1.516691154e-02 -1.516691154e-02 5.90 -1.365918055e-02 -1.365918055e-02 5.92 -1.225256009e-02 -1.225256009e-02 5.94 -1.094876097e-02 -1.094876097e-02 5.96 -9.748202951e-03 -9.748202951e-03 5.98 -8.649723558e-03 -8.649723558e-03 6.00 -7.650714643e-03 -7.650714643e-03