# 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 = NiTiW2 # 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 3.052947814e+02 3.052947814e+02 1.30 2.812510200e+02 2.812510200e+02 1.32 2.591118921e+02 2.591118921e+02 1.34 2.387087173e+02 2.387087173e+02 1.36 2.198854255e+02 2.198854255e+02 1.38 2.025001907e+02 2.025001907e+02 1.40 1.864264165e+02 1.864264165e+02 1.42 1.715527198e+02 1.715527198e+02 1.44 1.577819616e+02 1.577819616e+02 1.46 1.450293148e+02 1.450293148e+02 1.48 1.332196537e+02 1.332196537e+02 1.50 1.222851091e+02 1.222851091e+02 1.52 1.121635567e+02 1.121635567e+02 1.54 1.027980281e+02 1.027980281e+02 1.56 9.413642280e+01 9.413642280e+01 1.58 8.613097702e+01 8.613097702e+01 1.60 7.873745750e+01 7.873745750e+01 1.62 7.191437292e+01 7.191437292e+01 1.64 6.562236567e+01 6.562236567e+01 1.66 5.982372590e+01 5.982372590e+01 1.68 5.448201055e+01 5.448201055e+01 1.70 4.956188716e+01 4.956188716e+01 1.72 4.502928120e+01 4.502928120e+01 1.74 4.085173590e+01 4.085173590e+01 1.76 3.699879400e+01 3.699879400e+01 1.78 3.344228339e+01 3.344228339e+01 1.80 3.015651531e+01 3.015651531e+01 1.82 2.711843455e+01 2.711843455e+01 1.84 2.430769520e+01 2.430769520e+01 1.86 2.170698390e+01 2.170698390e+01 1.88 1.930201884e+01 1.930201884e+01 1.90 1.707951581e+01 1.707951581e+01 1.92 1.502780699e+01 1.502780699e+01 1.94 1.313613492e+01 1.313613492e+01 1.96 1.139441879e+01 1.139441879e+01 1.98 9.793066664e+00 9.793066664e+00 2.00 8.322841338e+00 8.322841338e+00 2.02 6.974761771e+00 6.974761771e+00 2.04 5.740021437e+00 5.740021437e+00 2.06 4.609943330e+00 4.609943330e+00 2.08 3.575996067e+00 3.575996067e+00 2.10 2.629876395e+00 2.629876395e+00 2.12 1.763641010e+00 1.763641010e+00 2.14 9.698579299e-01 9.698579299e-01 2.16 2.417448404e-01 2.417448404e-01 2.18 -4.267369052e-01 -4.267369052e-01 2.20 -1.040854804e+00 -1.040854804e+00 2.22 -1.605149388e+00 -1.605149388e+00 2.24 -2.123533738e+00 -2.123533738e+00 2.26 -2.599419135e+00 -2.599419135e+00 2.28 -3.035838139e+00 -3.035838139e+00 2.30 -3.435545489e+00 -3.435545489e+00 2.32 -3.801088992e+00 -3.801088992e+00 2.34 -4.134846679e+00 -4.134846679e+00 2.36 -4.439035735e+00 -4.439035735e+00 2.38 -4.715703976e+00 -4.715703976e+00 2.40 -4.966720265e+00 -4.966720265e+00 2.42 -5.193776020e+00 -5.193776020e+00 2.44 -5.398400351e+00 -5.398400351e+00 2.46 -5.581983486e+00 -5.581983486e+00 2.48 -5.745742116e+00 -5.745742116e+00 2.50 -5.890735910e+00 -5.890735910e+00 2.52 -6.018208389e+00 -6.018208389e+00 2.54 -6.129307668e+00 -6.129307668e+00 2.56 -6.225070336e+00 -6.225070336e+00 2.58 -6.306428508e+00 -6.306428508e+00 2.60 -6.374220081e+00 -6.374220081e+00 2.62 -6.429203422e+00 -6.429203422e+00 2.64 -6.472026716e+00 -6.472026716e+00 2.66 -6.502863565e+00 -6.502863565e+00 2.68 -6.521717927e+00 -6.521717927e+00 2.70 -6.528696076e+00 -6.528696076e+00 2.72 -6.523999457e+00 -6.523999457e+00 2.74 -6.507911882e+00 -6.507911882e+00 2.76 -6.480783590e+00 -6.480783590e+00 2.78 -6.443013999e+00 -6.443013999e+00 2.80 -6.395036571e+00 -6.395036571e+00 2.82 -6.337321037e+00 -6.337321037e+00 2.84 -6.270390555e+00 -6.270390555e+00 2.86 -6.194708207e+00 -6.194708207e+00 2.88 -6.110778242e+00 -6.110778242e+00 2.90 -6.019172955e+00 -6.019172955e+00 2.92 -5.920545926e+00 -5.920545926e+00 2.94 -5.815641713e+00 -5.815641713e+00 2.96 -5.705298750e+00 -5.705298750e+00 2.98 -5.590440272e+00 -5.590440272e+00 3.00 -5.471942638e+00 -5.471942638e+00 3.02 -5.350564596e+00 -5.350564596e+00 3.04 -5.227089550e+00 -5.227089550e+00 3.06 -5.102286435e+00 -5.102286435e+00 3.08 -4.976852718e+00 -4.976852718e+00 3.10 -4.851367283e+00 -4.851367283e+00 3.12 -4.726259254e+00 -4.726259254e+00 3.14 -4.601796352e+00 -4.601796352e+00 3.16 -4.478090601e+00 -4.478090601e+00 3.18 -4.355118538e+00 -4.355118538e+00 3.20 -4.232749458e+00 -4.232749458e+00 3.22 -4.110777265e+00 -4.110777265e+00 3.24 -3.988952393e+00 -3.988952393e+00 3.26 -3.867011842e+00 -3.867011842e+00 3.28 -3.744706575e+00 -3.744706575e+00 3.30 -3.621826151e+00 -3.621826151e+00 3.32 -3.498220634e+00 -3.498220634e+00 3.34 -3.373819667e+00 -3.373819667e+00 3.36 -3.248648225e+00 -3.248648225e+00 3.38 -3.122838169e+00 -3.122838169e+00 3.40 -2.996634445e+00 -2.996634445e+00 3.42 -2.870394804e+00 -2.870394804e+00 3.44 -2.744581925e+00 -2.744581925e+00 3.46 -2.619747865e+00 -2.619747865e+00 3.48 -2.496511084e+00 -2.496511084e+00 3.50 -2.375527502e+00 -2.375527502e+00 3.52 -2.257457744e+00 -2.257457744e+00 3.54 -2.142933320e+00 -2.142933320e+00 3.56 -2.032524734e+00 -2.032524734e+00 3.58 -1.926714361e+00 -1.926714361e+00 3.60 -1.825876464e+00 -1.825876464e+00 3.62 -1.730265862e+00 -1.730265862e+00 3.64 -1.640015721e+00 -1.640015721e+00 3.66 -1.555143825e+00 -1.555143825e+00 3.68 -1.475565702e+00 -1.475565702e+00 3.70 -1.401112408e+00 -1.401112408e+00 3.72 -1.331550591e+00 -1.331550591e+00 3.74 -1.266602712e+00 -1.266602712e+00 3.76 -1.205965775e+00 -1.205965775e+00 3.78 -1.149327460e+00 -1.149327460e+00 3.80 -1.096379079e+00 -1.096379079e+00 3.82 -1.046825154e+00 -1.046825154e+00 3.84 -1.000389719e+00 -1.000389719e+00 3.86 -9.568196335e-01 -9.568196335e-01 3.88 -9.158853831e-01 -9.158853831e-01 3.90 -8.773799254e-01 -8.773799254e-01 3.92 -8.411162221e-01 -8.411162221e-01 3.94 -8.069242616e-01 -8.069242616e-01 3.96 -7.746477924e-01 -7.746477924e-01 3.98 -7.441417324e-01 -7.441417324e-01 4.00 -7.152701087e-01 -7.152701087e-01 4.02 -6.879047566e-01 -6.879047566e-01 4.04 -6.619246568e-01 -6.619246568e-01 4.06 -6.372157292e-01 -6.372157292e-01 4.08 -6.136708801e-01 -6.136708801e-01 4.10 -5.911900404e-01 -5.911900404e-01 4.12 -5.696806113e-01 -5.696806113e-01 4.14 -5.490568742e-01 -5.490568742e-01 4.16 -5.292402333e-01 -5.292402333e-01 4.18 -5.101586633e-01 -5.101586633e-01 4.20 -4.917472382e-01 -4.917472382e-01 4.22 -4.739473496e-01 -4.739473496e-01 4.24 -4.567064322e-01 -4.567064322e-01 4.26 -4.399779319e-01 -4.399779319e-01 4.28 -4.237213524e-01 -4.237213524e-01 4.30 -4.079023912e-01 -4.079023912e-01 4.32 -3.924931476e-01 -3.924931476e-01 4.34 -3.774723601e-01 -3.774723601e-01 4.36 -3.628256053e-01 -3.628256053e-01 4.38 -3.485453728e-01 -3.485453728e-01 4.40 -3.346309191e-01 -3.346309191e-01 4.42 -3.210878131e-01 -3.210878131e-01 4.44 -3.079271079e-01 -3.079271079e-01 4.46 -2.951641200e-01 -2.951641200e-01 4.48 -2.828168562e-01 -2.828168562e-01 4.50 -2.709041916e-01 -2.709041916e-01 4.52 -2.594439578e-01 -2.594439578e-01 4.54 -2.484511292e-01 -2.484511292e-01 4.56 -2.379362951e-01 -2.379362951e-01 4.58 -2.279045627e-01 -2.279045627e-01 4.60 -2.183549790e-01 -2.183549790e-01 4.62 -2.092804793e-01 -2.092804793e-01 4.64 -2.006683045e-01 -2.006683045e-01 4.66 -1.925007801e-01 -1.925007801e-01 4.68 -1.847563238e-01 -1.847563238e-01 4.70 -1.774105521e-01 -1.774105521e-01 4.72 -1.704373743e-01 -1.704373743e-01 4.74 -1.638099938e-01 -1.638099938e-01 4.76 -1.575017688e-01 -1.575017688e-01 4.78 -1.514869111e-01 -1.514869111e-01 4.80 -1.457409857e-01 -1.457409857e-01 4.82 -1.402414836e-01 -1.402414836e-01 4.84 -1.349678252e-01 -1.349678252e-01 4.86 -1.299017309e-01 -1.299017309e-01 4.88 -1.250272691e-01 -1.250272691e-01 4.90 -1.203308869e-01 -1.203308869e-01 4.92 -1.158013791e-01 -1.158013791e-01 4.94 -1.114297941e-01 -1.114297941e-01 4.96 -1.072092744e-01 -1.072092744e-01 4.98 -1.031348296e-01 -1.031348296e-01 5.00 -9.920304094e-02 -9.920304094e-02 5.02 -9.541170755e-02 -9.541170755e-02 5.04 -9.175944938e-02 -9.175944938e-02 5.06 -8.824529376e-02 -8.824529376e-02 5.08 -8.486822729e-02 -8.486822729e-02 5.10 -8.162682209e-02 -8.162682209e-02 5.12 -7.851922870e-02 -7.851922870e-02 5.14 -7.554277513e-02 -7.554277513e-02 5.16 -7.269386309e-02 -7.269386309e-02 5.18 -6.996797562e-02 -6.996797562e-02 5.20 -6.735976126e-02 -6.735976126e-02 5.22 -6.486317217e-02 -6.486317217e-02 5.24 -6.247163186e-02 -6.247163186e-02 5.26 -6.017821081e-02 -6.017821081e-02 5.28 -5.797579260e-02 -5.797579260e-02 5.30 -5.585721924e-02 -5.585721924e-02 5.32 -5.381540972e-02 -5.381540972e-02 5.34 -5.184345066e-02 -5.184345066e-02 5.36 -4.993466118e-02 -4.993466118e-02 5.38 -4.808263642e-02 -4.808263642e-02 5.40 -4.628127518e-02 -4.628127518e-02 5.42 -4.452479749e-02 -4.452479749e-02 5.44 -4.280775762e-02 -4.280775762e-02 5.46 -4.112505766e-02 -4.112505766e-02 5.48 -3.947196570e-02 -3.947196570e-02 5.50 -3.784414222e-02 -3.784414222e-02 5.52 -3.623767692e-02 -3.623767692e-02 5.54 -3.464913751e-02 -3.464913751e-02 5.56 -3.307562996e-02 -3.307562996e-02 5.58 -3.151486960e-02 -3.151486960e-02 5.60 -2.996525956e-02 -2.996525956e-02 5.62 -2.842597168e-02 -2.842597168e-02 5.64 -2.689702336e-02 -2.689702336e-02 5.66 -2.537934161e-02 -2.537934161e-02 5.68 -2.387480483e-02 -2.387480483e-02 5.70 -2.238625202e-02 -2.238625202e-02 5.72 -2.091744982e-02 -2.091744982e-02 5.74 -1.947301023e-02 -1.947301023e-02 5.76 -1.805825238e-02 -1.805825238e-02 5.78 -1.667888050e-02 -1.667888050e-02 5.80 -1.534100030e-02 -1.534100030e-02 5.82 -1.405083852e-02 -1.405083852e-02 5.84 -1.281436144e-02 -1.281436144e-02 5.86 -1.163700287e-02 -1.163700287e-02 5.88 -1.052342119e-02 -1.052342119e-02 5.90 -9.477304281e-03 -9.477304281e-03 5.92 -8.501235909e-03 -8.501235909e-03 5.94 -7.596630585e-03 -7.596630585e-03 5.96 -6.763736611e-03 -6.763736611e-03 5.98 -6.001700470e-03 -6.001700470e-03 6.00 -5.308680851e-03 -5.308680851e-03