# 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 = Fe2TiZr # 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 2.536136089e+02 2.536136089e+02 1.30 2.331599551e+02 2.331599551e+02 1.32 2.143192642e+02 2.143192642e+02 1.34 1.969515853e+02 1.969515853e+02 1.36 1.809324595e+02 1.809324595e+02 1.38 1.661516257e+02 1.661516257e+02 1.40 1.525108652e+02 1.525108652e+02 1.42 1.399216095e+02 1.399216095e+02 1.44 1.283034123e+02 1.283034123e+02 1.46 1.175835151e+02 1.175835151e+02 1.48 1.076964646e+02 1.076964646e+02 1.50 9.858279577e+01 9.858279577e+01 1.52 9.018707446e+01 9.018707446e+01 1.54 8.245627689e+01 8.245627689e+01 1.56 7.533924442e+01 7.533924442e+01 1.58 6.878712654e+01 6.878712654e+01 1.60 6.275404427e+01 6.275404427e+01 1.62 5.719744267e+01 5.719744267e+01 1.64 5.207810501e+01 5.207810501e+01 1.66 4.735999918e+01 4.735999918e+01 1.68 4.301007764e+01 4.301007764e+01 1.70 3.899818186e+01 3.899818186e+01 1.72 3.529696426e+01 3.529696426e+01 1.74 3.188180222e+01 3.188180222e+01 1.76 2.873057946e+01 2.873057946e+01 1.78 2.582335285e+01 2.582335285e+01 1.80 2.314212517e+01 2.314212517e+01 1.82 2.067071758e+01 2.067071758e+01 1.84 1.839369777e+01 1.839369777e+01 1.86 1.629638294e+01 1.629638294e+01 1.88 1.436507917e+01 1.436507917e+01 1.90 1.258723942e+01 1.258723942e+01 1.92 1.095129311e+01 1.095129311e+01 1.94 9.446531144e+00 9.446531144e+00 1.96 8.062948955e+00 8.062948955e+00 1.98 6.791170378e+00 6.791170378e+00 2.00 5.622427960e+00 5.622427960e+00 2.02 4.548559530e+00 4.548559530e+00 2.04 3.562007547e+00 3.562007547e+00 2.06 2.655818752e+00 2.655818752e+00 2.08 1.823638955e+00 1.823638955e+00 2.10 1.059703496e+00 1.059703496e+00 2.12 3.588174466e-01 3.588174466e-01 2.14 -2.836886389e-01 -2.836886389e-01 2.16 -8.720086290e-01 -8.720086290e-01 2.18 -1.409936967e+00 -1.409936967e+00 2.20 -1.900951369e+00 -1.900951369e+00 2.22 -2.348307003e+00 -2.348307003e+00 2.24 -2.755100662e+00 -2.755100662e+00 2.26 -3.124295251e+00 -3.124295251e+00 2.28 -3.458717279e+00 -3.458717279e+00 2.30 -3.761011054e+00 -3.761011054e+00 2.32 -4.033633834e+00 -4.033633834e+00 2.34 -4.278818114e+00 -4.278818114e+00 2.36 -4.498593901e+00 -4.498593901e+00 2.38 -4.694806770e+00 -4.694806770e+00 2.40 -4.869151421e+00 -4.869151421e+00 2.42 -5.023212898e+00 -5.023212898e+00 2.44 -5.158495429e+00 -5.158495429e+00 2.46 -5.276448234e+00 -5.276448234e+00 2.48 -5.378472287e+00 -5.378472287e+00 2.50 -5.465920895e+00 -5.465920895e+00 2.52 -5.540144643e+00 -5.540144643e+00 2.54 -5.602280747e+00 -5.602280747e+00 2.56 -5.653345361e+00 -5.653345361e+00 2.58 -5.694267027e+00 -5.694267027e+00 2.60 -5.725881898e+00 -5.725881898e+00 2.62 -5.748935945e+00 -5.748935945e+00 2.64 -5.764103594e+00 -5.764103594e+00 2.66 -5.771922687e+00 -5.771922687e+00 2.68 -5.772748114e+00 -5.772748114e+00 2.70 -5.766905795e+00 -5.766905795e+00 2.72 -5.754640085e+00 -5.754640085e+00 2.74 -5.736205389e+00 -5.736205389e+00 2.76 -5.711862548e+00 -5.711862548e+00 2.78 -5.681871089e+00 -5.681871089e+00 2.80 -5.646493203e+00 -5.646493203e+00 2.82 -5.605979772e+00 -5.605979772e+00 2.84 -5.560559109e+00 -5.560559109e+00 2.86 -5.510367606e+00 -5.510367606e+00 2.88 -5.455543718e+00 -5.455543718e+00 2.90 -5.396260766e+00 -5.396260766e+00 2.92 -5.332725366e+00 -5.332725366e+00 2.94 -5.265179092e+00 -5.265179092e+00 2.96 -5.193875101e+00 -5.193875101e+00 2.98 -5.119083118e+00 -5.119083118e+00 3.00 -5.041086733e+00 -5.041086733e+00 3.02 -4.960176318e+00 -4.960176318e+00 3.04 -4.876639917e+00 -4.876639917e+00 3.06 -4.790766975e+00 -4.790766975e+00 3.08 -4.702828636e+00 -4.702828636e+00 3.10 -4.613082112e+00 -4.613082112e+00 3.12 -4.521666610e+00 -4.521666610e+00 3.14 -4.428655824e+00 -4.428655824e+00 3.16 -4.334162383e+00 -4.334162383e+00 3.18 -4.238350965e+00 -4.238350965e+00 3.20 -4.141436250e+00 -4.141436250e+00 3.22 -4.043682050e+00 -4.043682050e+00 3.24 -3.945398343e+00 -3.945398343e+00 3.26 -3.846935471e+00 -3.846935471e+00 3.28 -3.748674875e+00 -3.748674875e+00 3.30 -3.651015948e+00 -3.651015948e+00 3.32 -3.554359277e+00 -3.554359277e+00 3.34 -3.459087557e+00 -3.459087557e+00 3.36 -3.365546483e+00 -3.365546483e+00 3.38 -3.274028463e+00 -3.274028463e+00 3.40 -3.184760408e+00 -3.184760408e+00 3.42 -3.097904493e+00 -3.097904493e+00 3.44 -3.013552388e+00 -3.013552388e+00 3.46 -2.931738657e+00 -2.931738657e+00 3.48 -2.852450188e+00 -2.852450188e+00 3.50 -2.775638354e+00 -2.775638354e+00 3.52 -2.701230459e+00 -2.701230459e+00 3.54 -2.629139163e+00 -2.629139163e+00 3.56 -2.559269207e+00 -2.559269207e+00 3.58 -2.491521463e+00 -2.491521463e+00 3.60 -2.425794846e+00 -2.425794846e+00 3.62 -2.361986984e+00 -2.361986984e+00 3.64 -2.299994572e+00 -2.299994572e+00 3.66 -2.239714099e+00 -2.239714099e+00 3.68 -2.181043287e+00 -2.181043287e+00 3.70 -2.123883230e+00 -2.123883230e+00 3.72 -2.068140984e+00 -2.068140984e+00 3.74 -2.013732291e+00 -2.013732291e+00 3.76 -1.960584113e+00 -1.960584113e+00 3.78 -1.908636700e+00 -1.908636700e+00 3.80 -1.857844952e+00 -1.857844952e+00 3.82 -1.808178836e+00 -1.808178836e+00 3.84 -1.759622668e+00 -1.759622668e+00 3.86 -1.712173138e+00 -1.712173138e+00 3.88 -1.665836166e+00 -1.665836166e+00 3.90 -1.620622868e+00 -1.620622868e+00 3.92 -1.576543439e+00 -1.576543439e+00 3.94 -1.533610317e+00 -1.533610317e+00 3.96 -1.491823484e+00 -1.491823484e+00 3.98 -1.451176694e+00 -1.451176694e+00 4.00 -1.411654815e+00 -1.411654815e+00 4.02 -1.373234584e+00 -1.373234584e+00 4.04 -1.335886199e+00 -1.335886199e+00 4.06 -1.299575335e+00 -1.299575335e+00 4.08 -1.264265176e+00 -1.264265176e+00 4.10 -1.229913744e+00 -1.229913744e+00 4.12 -1.196493931e+00 -1.196493931e+00 4.14 -1.163965080e+00 -1.163965080e+00 4.16 -1.132294234e+00 -1.132294234e+00 4.18 -1.101450905e+00 -1.101450905e+00 4.20 -1.071407104e+00 -1.071407104e+00 4.22 -1.042137214e+00 -1.042137214e+00 4.24 -1.013617779e+00 -1.013617779e+00 4.26 -9.858272381e-01 -9.858272381e-01 4.28 -9.587456619e-01 -9.587456619e-01 4.30 -9.323544895e-01 -9.323544895e-01 4.32 -9.066362932e-01 -9.066362932e-01 4.34 -8.815745717e-01 -8.815745717e-01 4.36 -8.571535727e-01 -8.571535727e-01 4.38 -8.333581454e-01 -8.333581454e-01 4.40 -8.101736198e-01 -8.101736198e-01 4.42 -7.875857092e-01 -7.875857092e-01 4.44 -7.655804317e-01 -7.655804317e-01 4.46 -7.441440490e-01 -7.441440490e-01 4.48 -7.232630170e-01 -7.232630170e-01 4.50 -7.029239476e-01 -7.029239476e-01 4.52 -6.831135787e-01 -6.831135787e-01 4.54 -6.638187500e-01 -6.638187500e-01 4.56 -6.450263850e-01 -6.450263850e-01 4.58 -6.267234774e-01 -6.267234774e-01 4.60 -6.088970811e-01 -6.088970811e-01 4.62 -5.915343062e-01 -5.915343062e-01 4.64 -5.746223186e-01 -5.746223186e-01 4.66 -5.581483462e-01 -5.581483462e-01 4.68 -5.420996931e-01 -5.420996931e-01 4.70 -5.264637622e-01 -5.264637622e-01 4.72 -5.112280890e-01 -5.112280890e-01 4.74 -4.963803895e-01 -4.963803895e-01 4.76 -4.819086224e-01 -4.819086224e-01 4.78 -4.678010689e-01 -4.678010689e-01 4.80 -4.540432343e-01 -4.540432343e-01 4.82 -4.406312883e-01 -4.406312883e-01 4.84 -4.275512920e-01 -4.275512920e-01 4.86 -4.147939514e-01 -4.147939514e-01 4.88 -4.023508953e-01 -4.023508953e-01 4.90 -3.902147896e-01 -3.902147896e-01 4.92 -3.783794190e-01 -3.783794190e-01 4.94 -3.668397169e-01 -3.668397169e-01 4.96 -3.555917242e-01 -3.555917242e-01 4.98 -3.446324669e-01 -3.446324669e-01 5.00 -3.339597449e-01 -3.339597449e-01 5.02 -3.235718398e-01 -3.235718398e-01 5.04 -3.134671598e-01 -3.134671598e-01 5.06 -3.036438544e-01 -3.036438544e-01 5.08 -2.940993787e-01 -2.940993787e-01 5.10 -2.848301464e-01 -2.848301464e-01 5.12 -2.758315942e-01 -2.758315942e-01 5.14 -2.670978038e-01 -2.670978038e-01 5.16 -2.586214731e-01 -2.586214731e-01 5.18 -2.503940249e-01 -2.503940249e-01 5.20 -2.424058129e-01 -2.424058129e-01 5.22 -2.346464018e-01 -2.346464018e-01 5.24 -2.271048912e-01 -2.271048912e-01 5.26 -2.197702557e-01 -2.197702557e-01 5.28 -2.126316796e-01 -2.126316796e-01 5.30 -2.056788668e-01 -2.056788668e-01 5.32 -1.989023120e-01 -1.989023120e-01 5.34 -1.922935238e-01 -1.922935238e-01 5.36 -1.858451893e-01 -1.858451893e-01 5.38 -1.795512750e-01 -1.795512750e-01 5.40 -1.734070569e-01 -1.734070569e-01 5.42 -1.674090766e-01 -1.674090766e-01 5.44 -1.615550246e-01 -1.615550246e-01 5.46 -1.558435554e-01 -1.558435554e-01 5.48 -1.502740486e-01 -1.502740486e-01 5.50 -1.448463338e-01 -1.448463338e-01 5.52 -1.395604067e-01 -1.395604067e-01 5.54 -1.344161629e-01 -1.344161629e-01 5.56 -1.294131768e-01 -1.294131768e-01 5.58 -1.245505483e-01 -1.245505483e-01 5.60 -1.198267089e-01 -1.198267089e-01 5.62 -1.152396167e-01 -1.152396167e-01 5.64 -1.107869590e-01 -1.107869590e-01 5.66 -1.064660803e-01 -1.064660803e-01 5.68 -1.022741662e-01 -1.022741662e-01 5.70 -9.820843471e-02 -9.820843471e-02 5.72 -9.426630169e-02 -9.426630169e-02 5.74 -9.044550059e-02 -9.044550059e-02 5.76 -8.674413819e-02 -8.674413819e-02 5.78 -8.316068014e-02 -8.316068014e-02 5.80 -7.969386838e-02 -7.969386838e-02 5.82 -7.634258158e-02 -7.634258158e-02 5.84 -7.310565678e-02 -7.310565678e-02 5.86 -6.998169488e-02 -6.998169488e-02 5.88 -6.696887393e-02 -6.696887393e-02 5.90 -6.406479203e-02 -6.406479203e-02 5.92 -6.126635749e-02 -6.126635749e-02 5.94 -5.856973706e-02 -5.856973706e-02 5.96 -5.597036623e-02 -5.597036623e-02 5.98 -5.346301905e-02 -5.346301905e-02 6.00 -5.104192951e-02 -5.104192951e-02