# 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 = AuTi2W # 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 3.604156506e+02 3.604156506e+02 1.30 3.338704801e+02 3.338704801e+02 1.32 3.092999743e+02 3.092999743e+02 1.34 2.865553810e+02 2.865553810e+02 1.36 2.655005138e+02 2.655005138e+02 1.38 2.460081458e+02 2.460081458e+02 1.40 2.279578168e+02 2.279578168e+02 1.42 2.112352029e+02 2.112352029e+02 1.44 1.957327556e+02 1.957327556e+02 1.46 1.813508078e+02 1.813508078e+02 1.48 1.679984131e+02 1.679984131e+02 1.50 1.555936179e+02 1.555936179e+02 1.52 1.440630937e+02 1.440630937e+02 1.54 1.333412486e+02 1.333412486e+02 1.56 1.233690781e+02 1.233690781e+02 1.58 1.140929587e+02 1.140929587e+02 1.60 1.054636005e+02 1.054636005e+02 1.62 9.743534119e+01 9.743534119e+01 1.64 8.996575831e+01 8.996575831e+01 1.66 8.301543732e+01 8.301543732e+01 1.68 7.654783023e+01 7.654783023e+01 1.70 7.052921415e+01 7.052921415e+01 1.72 6.492863881e+01 6.492863881e+01 1.74 5.971767423e+01 5.971767423e+01 1.76 5.486992870e+01 5.486992870e+01 1.78 5.036052820e+01 5.036052820e+01 1.80 4.616578043e+01 4.616578043e+01 1.82 4.226311443e+01 4.226311443e+01 1.84 3.863123226e+01 3.863123226e+01 1.86 3.525045344e+01 3.525045344e+01 1.88 3.210311792e+01 3.210311792e+01 1.90 2.917789200e+01 2.917789200e+01 1.92 2.646626187e+01 2.646626187e+01 1.94 2.395322912e+01 2.395322912e+01 1.96 2.162490651e+01 2.162490651e+01 1.98 1.946838884e+01 1.946838884e+01 2.00 1.747161659e+01 1.747161659e+01 2.02 1.562327376e+01 1.562327376e+01 2.04 1.391270176e+01 1.391270176e+01 2.06 1.232983269e+01 1.232983269e+01 2.08 1.086515823e+01 1.086515823e+01 2.10 9.509738472e+00 9.509738472e+00 2.12 8.255232888e+00 8.255232888e+00 2.14 7.093930023e+00 7.093930023e+00 2.16 6.018760894e+00 6.018760894e+00 2.18 5.023290225e+00 5.023290225e+00 2.20 4.101684124e+00 4.101684124e+00 2.22 3.248656238e+00 3.248656238e+00 2.24 2.459402891e+00 2.459402891e+00 2.26 1.729540836e+00 1.729540836e+00 2.28 1.055056640e+00 1.055056640e+00 2.30 4.322679241e-01 4.322679241e-01 2.32 -1.422117103e-01 -1.422117103e-01 2.34 -6.715071040e-01 -6.715071040e-01 2.36 -1.158515459e+00 -1.158515459e+00 2.38 -1.605936776e+00 -1.605936776e+00 2.40 -2.016300290e+00 -2.016300290e+00 2.42 -2.391987346e+00 -2.391987346e+00 2.44 -2.735250232e+00 -2.735250232e+00 2.46 -3.048226640e+00 -3.048226640e+00 2.48 -3.332948675e+00 -3.332948675e+00 2.50 -3.591302786e+00 -3.591302786e+00 2.52 -3.825086074e+00 -3.825086074e+00 2.54 -4.036093351e+00 -4.036093351e+00 2.56 -4.225996293e+00 -4.225996293e+00 2.58 -4.396341493e+00 -4.396341493e+00 2.60 -4.548553550e+00 -4.548553550e+00 2.62 -4.683940580e+00 -4.683940580e+00 2.64 -4.803701240e+00 -4.803701240e+00 2.66 -4.908927126e+00 -4.908927126e+00 2.68 -5.000488539e+00 -5.000488539e+00 2.70 -5.079063884e+00 -5.079063884e+00 2.72 -5.145304245e+00 -5.145304245e+00 2.74 -5.199841892e+00 -5.199841892e+00 2.76 -5.243290235e+00 -5.243290235e+00 2.78 -5.276242933e+00 -5.276242933e+00 2.80 -5.299337023e+00 -5.299337023e+00 2.82 -5.313149305e+00 -5.313149305e+00 2.84 -5.318101775e+00 -5.318101775e+00 2.86 -5.314618673e+00 -5.314618673e+00 2.88 -5.303126423e+00 -5.303126423e+00 2.90 -5.284071026e+00 -5.284071026e+00 2.92 -5.257985193e+00 -5.257985193e+00 2.94 -5.225199144e+00 -5.225199144e+00 2.96 -5.186017788e+00 -5.186017788e+00 2.98 -5.140636956e+00 -5.140636956e+00 3.00 -5.089277461e+00 -5.089277461e+00 3.02 -5.032265728e+00 -5.032265728e+00 3.04 -4.970005823e+00 -4.970005823e+00 3.06 -4.902950936e+00 -4.902950936e+00 3.08 -4.831585481e+00 -4.831585481e+00 3.10 -4.756390140e+00 -4.756390140e+00 3.12 -4.677810190e+00 -4.677810190e+00 3.14 -4.596234603e+00 -4.596234603e+00 3.16 -4.511986355e+00 -4.511986355e+00 3.18 -4.425324288e+00 -4.425324288e+00 3.20 -4.336451856e+00 -4.336451856e+00 3.22 -4.245529852e+00 -4.245529852e+00 3.24 -4.152690269e+00 -4.152690269e+00 3.26 -4.058049698e+00 -4.058049698e+00 3.28 -3.961721518e+00 -3.961721518e+00 3.30 -3.863826732e+00 -3.863826732e+00 3.32 -3.764503466e+00 -3.764503466e+00 3.34 -3.663915136e+00 -3.663915136e+00 3.36 -3.562257137e+00 -3.562257137e+00 3.38 -3.459761741e+00 -3.459761741e+00 3.40 -3.356700790e+00 -3.356700790e+00 3.42 -3.253385916e+00 -3.253385916e+00 3.44 -3.150165609e+00 -3.150165609e+00 3.46 -3.047419539e+00 -3.047419539e+00 3.48 -2.945549809e+00 -2.945549809e+00 3.50 -2.844969613e+00 -2.844969613e+00 3.52 -2.746089757e+00 -2.746089757e+00 3.54 -2.649303771e+00 -2.649303771e+00 3.56 -2.554972578e+00 -2.554972578e+00 3.58 -2.463410017e+00 -2.463410017e+00 3.60 -2.374870715e+00 -2.374870715e+00 3.62 -2.289541790e+00 -2.289541790e+00 3.64 -2.207539447e+00 -2.207539447e+00 3.66 -2.128910756e+00 -2.128910756e+00 3.68 -2.053640075e+00 -2.053640075e+00 3.70 -1.981658816e+00 -1.981658816e+00 3.72 -1.912857006e+00 -1.912857006e+00 3.74 -1.847095092e+00 -1.847095092e+00 3.76 -1.784214853e+00 -1.784214853e+00 3.78 -1.724048693e+00 -1.724048693e+00 3.80 -1.666427033e+00 -1.666427033e+00 3.82 -1.611183812e+00 -1.611183812e+00 3.84 -1.558160296e+00 -1.558160296e+00 3.86 -1.507207489e+00 -1.507207489e+00 3.88 -1.458187426e+00 -1.458187426e+00 3.90 -1.410973647e+00 -1.410973647e+00 3.92 -1.365451022e+00 -1.365451022e+00 3.94 -1.321515440e+00 -1.321515440e+00 3.96 -1.279072705e+00 -1.279072705e+00 3.98 -1.238037881e+00 -1.238037881e+00 4.00 -1.198334291e+00 -1.198334291e+00 4.02 -1.159892610e+00 -1.159892610e+00 4.04 -1.122650038e+00 -1.122650038e+00 4.06 -1.086549566e+00 -1.086549566e+00 4.08 -1.051539380e+00 -1.051539380e+00 4.10 -1.017572247e+00 -1.017572247e+00 4.12 -9.846057752e-01 -9.846057752e-01 4.14 -9.526012389e-01 -9.526012389e-01 4.16 -9.215241145e-01 -9.215241145e-01 4.18 -8.913438241e-01 -8.913438241e-01 4.20 -8.620336708e-01 -8.620336708e-01 4.22 -8.335707372e-01 -8.335707372e-01 4.24 -8.059356967e-01 -8.059356967e-01 4.26 -7.791124927e-01 -7.791124927e-01 4.28 -7.530878558e-01 -7.530878558e-01 4.30 -7.278506533e-01 -7.278506533e-01 4.32 -7.033910929e-01 -7.033910929e-01 4.34 -6.796998341e-01 -6.796998341e-01 4.36 -6.567670826e-01 -6.567670826e-01 4.38 -6.345817544e-01 -6.345817544e-01 4.40 -6.131307933e-01 -6.131307933e-01 4.42 -5.923987009e-01 -5.923987009e-01 4.44 -5.723673130e-01 -5.723673130e-01 4.46 -5.530158148e-01 -5.530158148e-01 4.48 -5.343209637e-01 -5.343209637e-01 4.50 -5.162574646e-01 -5.162574646e-01 4.52 -4.987984351e-01 -4.987984351e-01 4.54 -4.819159027e-01 -4.819159027e-01 4.56 -4.655812865e-01 -4.655812865e-01 4.58 -4.497658312e-01 -4.497658312e-01 4.60 -4.344409782e-01 -4.344409782e-01 4.62 -4.195786694e-01 -4.195786694e-01 4.64 -4.051515937e-01 -4.051515937e-01 4.66 -3.911333887e-01 -3.911333887e-01 4.68 -3.774988155e-01 -3.774988155e-01 4.70 -3.642239250e-01 -3.642239250e-01 4.72 -3.512862321e-01 -3.512862321e-01 4.74 -3.386649106e-01 -3.386649106e-01 4.76 -3.263410192e-01 -3.263410192e-01 4.78 -3.142977613e-01 -3.142977613e-01 4.80 -3.025206930e-01 -3.025206930e-01 4.82 -2.909983802e-01 -2.909983802e-01 4.84 -2.797221709e-01 -2.797221709e-01 4.86 -2.686868604e-01 -2.686868604e-01 4.88 -2.578908172e-01 -2.578908172e-01 4.90 -2.473361040e-01 -2.473361040e-01 4.92 -2.370284510e-01 -2.370284510e-01 4.94 -2.269770413e-01 -2.269770413e-01 4.96 -2.171940780e-01 -2.171940780e-01 4.98 -2.076941227e-01 -2.076941227e-01 5.00 -1.984932208e-01 -1.984932208e-01 5.02 -1.896078568e-01 -1.896078568e-01 5.04 -1.810538138e-01 -1.810538138e-01 5.06 -1.728450310e-01 -1.728450310e-01 5.08 -1.649925624e-01 -1.649925624e-01 5.10 -1.575037340e-01 -1.575037340e-01 5.12 -1.503815704e-01 -1.503815704e-01 5.14 -1.436245358e-01 -1.436245358e-01 5.16 -1.372265870e-01 -1.372265870e-01 5.18 -1.311775026e-01 -1.311775026e-01 5.20 -1.254632213e-01 -1.254632213e-01 5.22 -1.200666438e-01 -1.200666438e-01 5.24 -1.149691043e-01 -1.149691043e-01 5.26 -1.101503277e-01 -1.101503277e-01 5.28 -1.055891263e-01 -1.055891263e-01 5.30 -1.012640273e-01 -1.012640273e-01 5.32 -9.715377801e-02 -9.715377801e-02 5.34 -9.323772797e-02 -9.323772797e-02 5.36 -8.949610137e-02 -8.949610137e-02 5.38 -8.591017489e-02 -8.591017489e-02 5.40 -8.246238206e-02 -8.246238206e-02 5.42 -7.913636434e-02 -7.913636434e-02 5.44 -7.591698751e-02 -7.591698751e-02 5.46 -7.279034015e-02 -7.279034015e-02 5.48 -6.974372799e-02 -6.974372799e-02 5.50 -6.676567499e-02 -6.676567499e-02 5.52 -6.384593922e-02 -6.384593922e-02 5.54 -6.097554864e-02 -6.097554864e-02 5.56 -5.814685880e-02 -5.814685880e-02 5.58 -5.535363143e-02 -5.535363143e-02 5.60 -5.259112936e-02 -5.259112936e-02 5.62 -4.985621971e-02 -4.985621971e-02 5.64 -4.714747387e-02 -4.714747387e-02 5.66 -4.446524947e-02 -4.446524947e-02 5.68 -4.181173725e-02 -4.181173725e-02 5.70 -3.919095462e-02 -3.919095462e-02 5.72 -3.660866926e-02 -3.660866926e-02 5.74 -3.407223907e-02 -3.407223907e-02 5.76 -3.159036190e-02 -3.159036190e-02 5.78 -2.917273679e-02 -2.917273679e-02 5.80 -2.682964775e-02 -2.682964775e-02 5.82 -2.457149411e-02 -2.457149411e-02 5.84 -2.240829770e-02 -2.240829770e-02 5.86 -2.034922294e-02 -2.034922294e-02 5.88 -1.840214664e-02 -1.840214664e-02 5.90 -1.657331058e-02 -1.657331058e-02 5.92 -1.486698411e-02 -1.486698411e-02 5.94 -1.328530857e-02 -1.328530857e-02 5.96 -1.182881308e-02 -1.182881308e-02 5.98 -1.049610212e-02 -1.049610212e-02 6.00 -9.284024751e-03 -9.284024751e-03