# 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 = NiWZr2 # 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 3.247244543e+02 3.247244543e+02 1.30 3.007500816e+02 3.007500816e+02 1.32 2.785676471e+02 2.785676471e+02 1.34 2.580294405e+02 2.580294405e+02 1.36 2.390008651e+02 2.390008651e+02 1.38 2.213599700e+02 2.213599700e+02 1.40 2.049966700e+02 2.049966700e+02 1.42 1.898110812e+02 1.898110812e+02 1.44 1.757116956e+02 1.757116956e+02 1.46 1.626145060e+02 1.626145060e+02 1.48 1.504429744e+02 1.504429744e+02 1.50 1.391277484e+02 1.391277484e+02 1.52 1.286058773e+02 1.286058773e+02 1.54 1.188200288e+02 1.188200288e+02 1.56 1.097181000e+02 1.097181000e+02 1.58 1.012531041e+02 1.012531041e+02 1.60 9.338271627e+01 9.338271627e+01 1.62 8.606828743e+01 8.606828743e+01 1.64 7.927365352e+01 7.927365352e+01 1.66 7.296419466e+01 7.296419466e+01 1.68 6.710636460e+01 6.710636460e+01 1.70 6.166778929e+01 6.166778929e+01 1.72 5.661755823e+01 5.661755823e+01 1.74 5.192656863e+01 5.192656863e+01 1.76 4.756776290e+01 4.756776290e+01 1.78 4.351629584e+01 4.351629584e+01 1.80 3.974952214e+01 3.974952214e+01 1.82 3.624687670e+01 3.624687670e+01 1.84 3.298953195e+01 3.298953195e+01 1.86 2.996020742e+01 2.996020742e+01 1.88 2.714306355e+01 2.714306355e+01 1.90 2.452367591e+01 2.452367591e+01 1.92 2.208890949e+01 2.208890949e+01 1.94 1.982672406e+01 1.982672406e+01 1.96 1.772589087e+01 1.772589087e+01 1.98 1.577635200e+01 1.577635200e+01 2.00 1.396928831e+01 1.396928831e+01 2.02 1.229522764e+01 1.229522764e+01 2.04 1.074509864e+01 1.074509864e+01 2.06 9.310220057e+00 9.310220057e+00 2.08 7.982225353e+00 7.982225353e+00 2.10 6.753038847e+00 6.753038847e+00 2.12 5.614941523e+00 5.614941523e+00 2.14 4.560683040e+00 4.560683040e+00 2.16 3.583628175e+00 3.583628175e+00 2.18 2.677834809e+00 2.677834809e+00 2.20 1.838055073e+00 1.838055073e+00 2.22 1.059637787e+00 1.059637787e+00 2.24 3.384177816e-01 3.384177816e-01 2.26 -3.293723855e-01 -3.293723855e-01 2.28 -9.471711921e-01 -9.471711921e-01 2.30 -1.518096346e+00 -1.518096346e+00 2.32 -2.045023562e+00 -2.045023562e+00 2.34 -2.530584026e+00 -2.530584026e+00 2.36 -2.977243800e+00 -2.977243800e+00 2.38 -3.387334986e+00 -3.387334986e+00 2.40 -3.763085175e+00 -3.763085175e+00 2.42 -4.106646405e+00 -4.106646405e+00 2.44 -4.420105011e+00 -4.420105011e+00 2.46 -4.705497237e+00 -4.705497237e+00 2.48 -4.964803602e+00 -4.964803602e+00 2.50 -5.199930644e+00 -5.199930644e+00 2.52 -5.412682621e+00 -5.412682621e+00 2.54 -5.604730897e+00 -5.604730897e+00 2.56 -5.777589799e+00 -5.777589799e+00 2.58 -5.932606801e+00 -5.932606801e+00 2.60 -6.070971183e+00 -6.070971183e+00 2.62 -6.193734749e+00 -6.193734749e+00 2.64 -6.301863685e+00 -6.301863685e+00 2.66 -6.396242782e+00 -6.396242782e+00 2.68 -6.477723880e+00 -6.477723880e+00 2.70 -6.547137456e+00 -6.547137456e+00 2.72 -6.605289249e+00 -6.605289249e+00 2.74 -6.652923859e+00 -6.652923859e+00 2.76 -6.690853526e+00 -6.690853526e+00 2.78 -6.719859925e+00 -6.719859925e+00 2.80 -6.740755102e+00 -6.740755102e+00 2.82 -6.754215037e+00 -6.754215037e+00 2.84 -6.760712468e+00 -6.760712468e+00 2.86 -6.760684949e+00 -6.760684949e+00 2.88 -6.754538562e+00 -6.754538562e+00 2.90 -6.742653439e+00 -6.742653439e+00 2.92 -6.725369445e+00 -6.725369445e+00 2.94 -6.702890217e+00 -6.702890217e+00 2.96 -6.675367685e+00 -6.675367685e+00 2.98 -6.642776527e+00 -6.642776527e+00 3.00 -6.605009291e+00 -6.605009291e+00 3.02 -6.562020540e+00 -6.562020540e+00 3.04 -6.513811832e+00 -6.513811832e+00 3.06 -6.460434439e+00 -6.460434439e+00 3.08 -6.401956795e+00 -6.401956795e+00 3.10 -6.338475950e+00 -6.338475950e+00 3.12 -6.270073956e+00 -6.270073956e+00 3.14 -6.196758855e+00 -6.196758855e+00 3.16 -6.118560546e+00 -6.118560546e+00 3.18 -6.035576314e+00 -6.035576314e+00 3.20 -5.947956866e+00 -5.947956866e+00 3.22 -5.855899462e+00 -5.855899462e+00 3.24 -5.759643500e+00 -5.759643500e+00 3.26 -5.659468413e+00 -5.659468413e+00 3.28 -5.555692690e+00 -5.555692690e+00 3.30 -5.448672077e+00 -5.448672077e+00 3.32 -5.338795153e+00 -5.338795153e+00 3.34 -5.226475710e+00 -5.226475710e+00 3.36 -5.112142962e+00 -5.112142962e+00 3.38 -4.996231759e+00 -4.996231759e+00 3.40 -4.879173233e+00 -4.879173233e+00 3.42 -4.761397097e+00 -4.761397097e+00 3.44 -4.643318354e+00 -4.643318354e+00 3.46 -4.525343664e+00 -4.525343664e+00 3.48 -4.407866868e+00 -4.407866868e+00 3.50 -4.291264616e+00 -4.291264616e+00 3.52 -4.175889942e+00 -4.175889942e+00 3.54 -4.062064596e+00 -4.062064596e+00 3.56 -3.950071358e+00 -3.950071358e+00 3.58 -3.840147647e+00 -3.840147647e+00 3.60 -3.732481380e+00 -3.732481380e+00 3.62 -3.627209634e+00 -3.627209634e+00 3.64 -3.524420186e+00 -3.524420186e+00 3.66 -3.424155678e+00 -3.424155678e+00 3.68 -3.326419913e+00 -3.326419913e+00 3.70 -3.231185719e+00 -3.231185719e+00 3.72 -3.138403793e+00 -3.138403793e+00 3.74 -3.048011970e+00 -3.048011970e+00 3.76 -2.959944346e+00 -2.959944346e+00 3.78 -2.874139677e+00 -2.874139677e+00 3.80 -2.790548373e+00 -2.790548373e+00 3.82 -2.709137385e+00 -2.709137385e+00 3.84 -2.629892338e+00 -2.629892338e+00 3.86 -2.552816471e+00 -2.552816471e+00 3.88 -2.477926388e+00 -2.477926388e+00 3.90 -2.405245212e+00 -2.405245212e+00 3.92 -2.334790655e+00 -2.334790655e+00 3.94 -2.266581919e+00 -2.266581919e+00 3.96 -2.200608986e+00 -2.200608986e+00 3.98 -2.136845416e+00 -2.136845416e+00 4.00 -2.075242755e+00 -2.075242755e+00 4.02 -2.015732244e+00 -2.015732244e+00 4.04 -1.958228582e+00 -1.958228582e+00 4.06 -1.902634792e+00 -1.902634792e+00 4.08 -1.848847277e+00 -1.848847277e+00 4.10 -1.796751593e+00 -1.796751593e+00 4.12 -1.746263197e+00 -1.746263197e+00 4.14 -1.697271829e+00 -1.697271829e+00 4.16 -1.649684419e+00 -1.649684419e+00 4.18 -1.603415194e+00 -1.603415194e+00 4.20 -1.558386104e+00 -1.558386104e+00 4.22 -1.514526871e+00 -1.514526871e+00 4.24 -1.471774793e+00 -1.471774793e+00 4.26 -1.430074481e+00 -1.430074481e+00 4.28 -1.389377583e+00 -1.389377583e+00 4.30 -1.349642585e+00 -1.349642585e+00 4.32 -1.310834687e+00 -1.310834687e+00 4.34 -1.272925739e+00 -1.272925739e+00 4.36 -1.235894198e+00 -1.235894198e+00 4.38 -1.199725018e+00 -1.199725018e+00 4.40 -1.164409411e+00 -1.164409411e+00 4.42 -1.129944358e+00 -1.129944358e+00 4.44 -1.096331842e+00 -1.096331842e+00 4.46 -1.063577753e+00 -1.063577753e+00 4.48 -1.031690494e+00 -1.031690494e+00 4.50 -1.000679373e+00 -1.000679373e+00 4.52 -9.705529127e-01 -9.705529127e-01 4.54 -9.413172387e-01 -9.413172387e-01 4.56 -9.129747118e-01 -9.129747118e-01 4.58 -8.855229308e-01 -8.855229308e-01 4.60 -8.589541896e-01 -8.589541896e-01 4.62 -8.332553969e-01 -8.332553969e-01 4.64 -8.084084119e-01 -8.084084119e-01 4.66 -7.843907028e-01 -7.843907028e-01 4.68 -7.611762106e-01 -7.611762106e-01 4.70 -7.387363020e-01 -7.387363020e-01 4.72 -7.170407121e-01 -7.170407121e-01 4.74 -6.960583998e-01 -6.960583998e-01 4.76 -6.757582720e-01 -6.757582720e-01 4.78 -6.561097545e-01 -6.561097545e-01 4.80 -6.370770065e-01 -6.370770065e-01 4.82 -6.186450665e-01 -6.186450665e-01 4.84 -6.007794493e-01 -6.007794493e-01 4.86 -5.834545802e-01 -5.834545802e-01 4.88 -5.666463106e-01 -5.666463106e-01 4.90 -5.503318603e-01 -5.503318603e-01 4.92 -5.344897260e-01 -5.344897260e-01 4.94 -5.190995702e-01 -5.190995702e-01 4.96 -5.041421008e-01 -5.041421008e-01 4.98 -4.895989501e-01 -4.895989501e-01 5.00 -4.754525586e-01 -4.754525586e-01 5.02 -4.616860689e-01 -4.616860689e-01 5.04 -4.482832311e-01 -4.482832311e-01 5.06 -4.352283248e-01 -4.352283248e-01 5.08 -4.225060978e-01 -4.225060978e-01 5.10 -4.101017255e-01 -4.101017255e-01 5.12 -3.980007925e-01 -3.980007925e-01 5.14 -3.861892987e-01 -3.861892987e-01 5.16 -3.746536937e-01 -3.746536937e-01 5.18 -3.633809407e-01 -3.633809407e-01 5.20 -3.523586136e-01 -3.523586136e-01 5.22 -3.415750263e-01 -3.415750263e-01 5.24 -3.310193965e-01 -3.310193965e-01 5.26 -3.206820384e-01 -3.206820384e-01 5.28 -3.105545799e-01 -3.105545799e-01 5.30 -3.006301923e-01 -3.006301923e-01 5.32 -2.909038177e-01 -2.909038177e-01 5.34 -2.813723734e-01 -2.813723734e-01 5.36 -2.720349067e-01 -2.720349067e-01 5.38 -2.628926748e-01 -2.628926748e-01 5.40 -2.539491200e-01 -2.539491200e-01 5.42 -2.452097192e-01 -2.452097192e-01 5.44 -2.366816927e-01 -2.366816927e-01 5.46 -2.283735728e-01 -2.283735728e-01 5.48 -2.202946492e-01 -2.202946492e-01 5.50 -2.124543243e-01 -2.124543243e-01 5.52 -2.048614293e-01 -2.048614293e-01 5.54 -1.975235567e-01 -1.975235567e-01 5.56 -1.904464681e-01 -1.904464681e-01 5.58 -1.836336291e-01 -1.836336291e-01 5.60 -1.770856745e-01 -1.770856745e-01 5.62 -1.708006233e-01 -1.708006233e-01 5.64 -1.647741502e-01 -1.647741502e-01 5.66 -1.589993620e-01 -1.589993620e-01 5.68 -1.534671191e-01 -1.534671191e-01 5.70 -1.481664312e-01 -1.481664312e-01 5.72 -1.430848834e-01 -1.430848834e-01 5.74 -1.382090586e-01 -1.382090586e-01 5.76 -1.335249257e-01 -1.335249257e-01 5.78 -1.290181792e-01 -1.290181792e-01 5.80 -1.246745199e-01 -1.246745199e-01 5.82 -1.204798748e-01 -1.204798748e-01 5.84 -1.164205613e-01 -1.164205613e-01 5.86 -1.124834034e-01 -1.124834034e-01 5.88 -1.086558085e-01 -1.086558085e-01 5.90 -1.049258158e-01 -1.049258158e-01 5.92 -1.012821258e-01 -1.012821258e-01 5.94 -9.771412058e-02 -9.771412058e-02 5.96 -9.421188238e-02 -9.421188238e-02 5.98 -9.076621706e-02 -9.076621706e-02 6.00 -8.736868826e-02 -8.736868826e-02