# 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 = NiTi2Zr # 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 2.462044587e+02 2.462044587e+02 1.30 2.278825636e+02 2.278825636e+02 1.32 2.109321830e+02 2.109321830e+02 1.34 1.952405882e+02 1.952405882e+02 1.36 1.807058393e+02 1.807058393e+02 1.38 1.672372663e+02 1.672372663e+02 1.40 1.547538149e+02 1.547538149e+02 1.42 1.431814290e+02 1.431814290e+02 1.44 1.324513506e+02 1.324513506e+02 1.46 1.224997335e+02 1.224997335e+02 1.48 1.132675946e+02 1.132675946e+02 1.50 1.047003946e+02 1.047003946e+02 1.52 9.674751792e+01 9.674751792e+01 1.54 8.936202515e+01 8.936202515e+01 1.56 8.250075650e+01 8.250075650e+01 1.58 7.612444952e+01 7.612444952e+01 1.60 7.019754340e+01 7.019754340e+01 1.62 6.468772075e+01 6.468772075e+01 1.64 5.956541039e+01 5.956541039e+01 1.66 5.480328578e+01 5.480328578e+01 1.68 5.037580851e+01 5.037580851e+01 1.70 4.625903699e+01 4.625903699e+01 1.72 4.243065404e+01 4.243065404e+01 1.74 3.887009668e+01 3.887009668e+01 1.76 3.555853910e+01 3.555853910e+01 1.78 3.247871158e+01 3.247871158e+01 1.80 2.961464860e+01 2.961464860e+01 1.82 2.695152138e+01 2.695152138e+01 1.84 2.447549314e+01 2.447549314e+01 1.86 2.217370492e+01 2.217370492e+01 1.88 2.003460468e+01 2.003460468e+01 1.90 1.804730600e+01 1.804730600e+01 1.92 1.620157893e+01 1.620157893e+01 1.94 1.448762154e+01 1.448762154e+01 1.96 1.289624103e+01 1.289624103e+01 1.98 1.141888450e+01 1.141888450e+01 2.00 1.004767505e+01 1.004767505e+01 2.02 8.775379457e+00 8.775379457e+00 2.04 7.595317610e+00 7.595317610e+00 2.06 6.501266975e+00 6.501266975e+00 2.08 5.487402506e+00 5.487402506e+00 2.10 4.548290293e+00 4.548290293e+00 2.12 3.678900142e+00 3.678900142e+00 2.14 2.874606333e+00 2.874606333e+00 2.16 2.131172002e+00 2.131172002e+00 2.18 1.444697402e+00 1.444697402e+00 2.20 8.115531487e-01 8.115531487e-01 2.22 2.282951727e-01 2.282951727e-01 2.24 -3.083960918e-01 -3.083960918e-01 2.26 -8.017390208e-01 -8.017390208e-01 2.28 -1.254848000e+00 -1.254848000e+00 2.30 -1.670682990e+00 -1.670682990e+00 2.32 -2.052037279e+00 -2.052037279e+00 2.34 -2.401491731e+00 -2.401491731e+00 2.36 -2.721414077e+00 -2.721414077e+00 2.38 -3.013953369e+00 -3.013953369e+00 2.40 -3.281052494e+00 -3.281052494e+00 2.42 -3.524479280e+00 -3.524479280e+00 2.44 -3.745858633e+00 -3.745858633e+00 2.46 -3.946710144e+00 -3.946710144e+00 2.48 -4.128469649e+00 -4.128469649e+00 2.50 -4.292496884e+00 -4.292496884e+00 2.52 -4.440071229e+00 -4.440071229e+00 2.54 -4.572381548e+00 -4.572381548e+00 2.56 -4.690516590e+00 -4.690516590e+00 2.58 -4.795461376e+00 -4.795461376e+00 2.60 -4.888102703e+00 -4.888102703e+00 2.62 -4.969241492e+00 -4.969241492e+00 2.64 -5.039619776e+00 -5.039619776e+00 2.66 -5.099980300e+00 -5.099980300e+00 2.68 -5.150976105e+00 -5.150976105e+00 2.70 -5.193194178e+00 -5.193194178e+00 2.72 -5.227224112e+00 -5.227224112e+00 2.74 -5.253653831e+00 -5.253653831e+00 2.76 -5.273060270e+00 -5.273060270e+00 2.78 -5.285995847e+00 -5.285995847e+00 2.80 -5.292983083e+00 -5.292983083e+00 2.82 -5.294475479e+00 -5.294475479e+00 2.84 -5.290850284e+00 -5.290850284e+00 2.86 -5.282350500e+00 -5.282350500e+00 2.88 -5.269139966e+00 -5.269139966e+00 2.90 -5.251401311e+00 -5.251401311e+00 2.92 -5.229335105e+00 -5.229335105e+00 2.94 -5.203159115e+00 -5.203159115e+00 2.96 -5.173107798e+00 -5.173107798e+00 2.98 -5.139432191e+00 -5.139432191e+00 3.00 -5.102399135e+00 -5.102399135e+00 3.02 -5.062195107e+00 -5.062195107e+00 3.04 -5.018831090e+00 -5.018831090e+00 3.06 -4.972356462e+00 -4.972356462e+00 3.08 -4.922860704e+00 -4.922860704e+00 3.10 -4.870464084e+00 -4.870464084e+00 3.12 -4.815300101e+00 -4.815300101e+00 3.14 -4.757515584e+00 -4.757515584e+00 3.16 -4.697255051e+00 -4.697255051e+00 3.18 -4.634670343e+00 -4.634670343e+00 3.20 -4.569920160e+00 -4.569920160e+00 3.22 -4.503172178e+00 -4.503172178e+00 3.24 -4.434604580e+00 -4.434604580e+00 3.26 -4.364406643e+00 -4.364406643e+00 3.28 -4.292777956e+00 -4.292777956e+00 3.30 -4.219925759e+00 -4.219925759e+00 3.32 -4.146060092e+00 -4.146060092e+00 3.34 -4.071387053e+00 -4.071387053e+00 3.36 -3.996101286e+00 -3.996101286e+00 3.38 -3.920379361e+00 -3.920379361e+00 3.40 -3.844374677e+00 -3.844374677e+00 3.42 -3.768220504e+00 -3.768220504e+00 3.44 -3.692026287e+00 -3.692026287e+00 3.46 -3.615886876e+00 -3.615886876e+00 3.48 -3.539887308e+00 -3.539887308e+00 3.50 -3.464108500e+00 -3.464108500e+00 3.52 -3.388631525e+00 -3.388631525e+00 3.54 -3.313539699e+00 -3.313539699e+00 3.56 -3.238918205e+00 -3.238918205e+00 3.58 -3.164851537e+00 -3.164851537e+00 3.60 -3.091419563e+00 -3.091419563e+00 3.62 -3.018693349e+00 -3.018693349e+00 3.64 -2.946731891e+00 -2.946731891e+00 3.66 -2.875580583e+00 -2.875580583e+00 3.68 -2.805271737e+00 -2.805271737e+00 3.70 -2.735826961e+00 -2.735826961e+00 3.72 -2.667260891e+00 -2.667260891e+00 3.74 -2.599585611e+00 -2.599585611e+00 3.76 -2.532815184e+00 -2.532815184e+00 3.78 -2.466969726e+00 -2.466969726e+00 3.80 -2.402078603e+00 -2.402078603e+00 3.82 -2.338182325e+00 -2.338182325e+00 3.84 -2.275332809e+00 -2.275332809e+00 3.86 -2.213591804e+00 -2.213591804e+00 3.88 -2.153027514e+00 -2.153027514e+00 3.90 -2.093709776e+00 -2.093709776e+00 3.92 -2.035703142e+00 -2.035703142e+00 3.94 -1.979066944e+00 -1.979066944e+00 3.96 -1.923842040e+00 -1.923842040e+00 3.98 -1.870054145e+00 -1.870054145e+00 4.00 -1.817711250e+00 -1.817711250e+00 4.02 -1.766804472e+00 -1.766804472e+00 4.04 -1.717310268e+00 -1.717310268e+00 4.06 -1.669193416e+00 -1.669193416e+00 4.08 -1.622410231e+00 -1.622410231e+00 4.10 -1.576907076e+00 -1.576907076e+00 4.12 -1.532641766e+00 -1.532641766e+00 4.14 -1.489555817e+00 -1.489555817e+00 4.16 -1.447596820e+00 -1.447596820e+00 4.18 -1.406713856e+00 -1.406713856e+00 4.20 -1.366858134e+00 -1.366858134e+00 4.22 -1.327983414e+00 -1.327983414e+00 4.24 -1.290046319e+00 -1.290046319e+00 4.26 -1.253006626e+00 -1.253006626e+00 4.28 -1.216827581e+00 -1.216827581e+00 4.30 -1.181476277e+00 -1.181476277e+00 4.32 -1.146924078e+00 -1.146924078e+00 4.34 -1.113147065e+00 -1.113147065e+00 4.36 -1.080126436e+00 -1.080126436e+00 4.38 -1.047848797e+00 -1.047848797e+00 4.40 -1.016306242e+00 -1.016306242e+00 4.42 -9.854961545e-01 -9.854961545e-01 4.44 -9.554206562e-01 -9.554206562e-01 4.46 -9.260856988e-01 -9.260856988e-01 4.48 -8.974998125e-01 -8.974998125e-01 4.50 -8.696726082e-01 -8.696726082e-01 4.52 -8.426131603e-01 -8.426131603e-01 4.54 -8.163284359e-01 -8.163284359e-01 4.56 -7.908219295e-01 -7.908219295e-01 4.58 -7.660926378e-01 -7.660926378e-01 4.60 -7.421344576e-01 -7.421344576e-01 4.62 -7.189360254e-01 -7.189360254e-01 4.64 -6.964809647e-01 -6.964809647e-01 4.66 -6.747484575e-01 -6.747484575e-01 4.68 -6.537140394e-01 -6.537140394e-01 4.70 -6.333505120e-01 -6.333505120e-01 4.72 -6.136288816e-01 -6.136288816e-01 4.74 -5.945192560e-01 -5.945192560e-01 4.76 -5.759916568e-01 -5.759916568e-01 4.78 -5.580167269e-01 -5.580167269e-01 4.80 -5.405631941e-01 -5.405631941e-01 4.82 -5.236114518e-01 -5.236114518e-01 4.84 -5.071334663e-01 -5.071334663e-01 4.86 -4.911074545e-01 -4.911074545e-01 4.88 -4.755143676e-01 -4.755143676e-01 4.90 -4.603380756e-01 -4.603380756e-01 4.92 -4.455654593e-01 -4.455654593e-01 4.94 -4.311863911e-01 -4.311863911e-01 4.96 -4.171935822e-01 -4.171935822e-01 4.98 -4.035822797e-01 -4.035822797e-01 5.00 -3.903498091e-01 -3.903498091e-01 5.02 -3.774949745e-01 -3.774949745e-01 5.04 -3.650173517e-01 -3.650173517e-01 5.06 -3.529165280e-01 -3.529165280e-01 5.08 -3.411913585e-01 -3.411913585e-01 5.10 -3.298393096e-01 -3.298393096e-01 5.12 -3.188559528e-01 -3.188559528e-01 5.14 -3.082346521e-01 -3.082346521e-01 5.16 -2.979664630e-01 -2.979664630e-01 5.18 -2.880402313e-01 -2.880402313e-01 5.20 -2.784428627e-01 -2.784428627e-01 5.22 -2.691597166e-01 -2.691597166e-01 5.24 -2.601750738e-01 -2.601750738e-01 5.26 -2.514726308e-01 -2.514726308e-01 5.28 -2.430359819e-01 -2.430359819e-01 5.30 -2.348490592e-01 -2.348490592e-01 5.32 -2.268965113e-01 -2.268965113e-01 5.34 -2.191640089e-01 -2.191640089e-01 5.36 -2.116384711e-01 -2.116384711e-01 5.38 -2.043082115e-01 -2.043082115e-01 5.40 -1.971630016e-01 -1.971630016e-01 5.42 -1.901940577e-01 -1.901940577e-01 5.44 -1.833939540e-01 -1.833939540e-01 5.46 -1.767564754e-01 -1.767564754e-01 5.48 -1.702764220e-01 -1.702764220e-01 5.50 -1.639493894e-01 -1.639493894e-01 5.52 -1.577715466e-01 -1.577715466e-01 5.54 -1.517394399e-01 -1.517394399e-01 5.56 -1.458498453e-01 -1.458498453e-01 5.58 -1.400996895e-01 -1.400996895e-01 5.60 -1.344860485e-01 -1.344860485e-01 5.62 -1.290062218e-01 -1.290062218e-01 5.64 -1.236578704e-01 -1.236578704e-01 5.66 -1.184391942e-01 -1.184391942e-01 5.68 -1.133491201e-01 -1.133491201e-01 5.70 -1.083874655e-01 -1.083874655e-01 5.72 -1.035550469e-01 -1.035550469e-01 5.74 -9.885370514e-02 -9.885370514e-02 5.76 -9.428623154e-02 -9.428623154e-02 5.78 -8.985618815e-02 -8.985618815e-02 5.80 -8.556763079e-02 -8.556763079e-02 5.82 -8.142475596e-02 -8.142475596e-02 5.84 -7.743150194e-02 -7.743150194e-02 5.86 -7.359114349e-02 -7.359114349e-02 5.88 -6.990591809e-02 -6.990591809e-02 5.90 -6.637671953e-02 -6.637671953e-02 5.92 -6.300283285e-02 -6.300283285e-02 5.94 -5.978174383e-02 -5.978174383e-02 5.96 -5.670948533e-02 -5.670948533e-02 5.98 -5.378073917e-02 -5.378073917e-02 6.00 -5.098880782e-02 -5.098880782e-02