# 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 = Ag2FeTi # 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 2.552041824e+02 2.552041824e+02 1.30 2.353952250e+02 2.353952250e+02 1.32 2.171292809e+02 2.171292809e+02 1.34 2.002775413e+02 2.002775413e+02 1.36 1.847227190e+02 1.847227190e+02 1.38 1.703588377e+02 1.703588377e+02 1.40 1.570902157e+02 1.570902157e+02 1.42 1.448300536e+02 1.448300536e+02 1.44 1.334992188e+02 1.334992188e+02 1.46 1.230253593e+02 1.230253593e+02 1.48 1.133422335e+02 1.133422335e+02 1.50 1.043891849e+02 1.043891849e+02 1.52 9.611060643e+01 9.611060643e+01 1.54 8.845530124e+01 8.845530124e+01 1.56 8.137590094e+01 8.137590094e+01 1.58 7.482848088e+01 7.482848088e+01 1.60 6.877231954e+01 6.877231954e+01 1.62 6.316970214e+01 6.316970214e+01 1.64 5.798571201e+01 5.798571201e+01 1.66 5.318800173e+01 5.318800173e+01 1.68 4.874677074e+01 4.874677074e+01 1.70 4.463431806e+01 4.463431806e+01 1.72 4.082730777e+01 4.082730777e+01 1.74 3.730413238e+01 3.730413238e+01 1.76 3.404356574e+01 3.404356574e+01 1.78 3.102620829e+01 3.102620829e+01 1.80 2.823424563e+01 2.823424563e+01 1.82 2.565130191e+01 2.565130191e+01 1.84 2.326233913e+01 2.326233913e+01 1.86 2.105353674e+01 2.105353674e+01 1.88 1.901213112e+01 1.901213112e+01 1.90 1.712623711e+01 1.712623711e+01 1.92 1.538468506e+01 1.538468506e+01 1.94 1.377690384e+01 1.377690384e+01 1.96 1.229287003e+01 1.229287003e+01 1.98 1.092311975e+01 1.092311975e+01 2.00 9.658792893e+00 9.658792893e+00 2.02 8.491674796e+00 8.491674796e+00 2.04 7.414216295e+00 7.414216295e+00 2.06 6.419529726e+00 6.419529726e+00 2.08 5.501364615e+00 5.501364615e+00 2.10 4.654065431e+00 4.654065431e+00 2.12 3.872511484e+00 3.872511484e+00 2.14 3.152043233e+00 3.152043233e+00 2.16 2.488386198e+00 2.488386198e+00 2.18 1.877584606e+00 1.877584606e+00 2.20 1.315951458e+00 1.315951458e+00 2.22 8.000342417e-01 8.000342417e-01 2.24 3.265937605e-01 3.265937605e-01 2.26 -1.074059853e-01 -1.074059853e-01 2.28 -5.047990396e-01 -5.047990396e-01 2.30 -8.682136153e-01 -8.682136153e-01 2.32 -1.200070107e+00 -1.200070107e+00 2.34 -1.502584198e+00 -1.502584198e+00 2.36 -1.777777735e+00 -1.777777735e+00 2.38 -2.027496359e+00 -2.027496359e+00 2.40 -2.253432637e+00 -2.253432637e+00 2.42 -2.457151900e+00 -2.457151900e+00 2.44 -2.640117369e+00 -2.640117369e+00 2.46 -2.803726187e+00 -2.803726187e+00 2.48 -2.949352198e+00 -2.949352198e+00 2.50 -3.078205416e+00 -3.078205416e+00 2.52 -3.191454746e+00 -3.191454746e+00 2.54 -3.290247292e+00 -3.290247292e+00 2.56 -3.375704866e+00 -3.375704866e+00 2.58 -3.448918066e+00 -3.448918066e+00 2.60 -3.510934743e+00 -3.510934743e+00 2.62 -3.562657747e+00 -3.562657747e+00 2.64 -3.604841165e+00 -3.604841165e+00 2.66 -3.638198113e+00 -3.638198113e+00 2.68 -3.663393261e+00 -3.663393261e+00 2.70 -3.681023227e+00 -3.681023227e+00 2.72 -3.691623210e+00 -3.691623210e+00 2.74 -3.695674847e+00 -3.695674847e+00 2.76 -3.693617637e+00 -3.693617637e+00 2.78 -3.685862136e+00 -3.685862136e+00 2.80 -3.672802310e+00 -3.672802310e+00 2.82 -3.654824310e+00 -3.654824310e+00 2.84 -3.632272060e+00 -3.632272060e+00 2.86 -3.605603166e+00 -3.605603166e+00 2.88 -3.575014140e+00 -3.575014140e+00 2.90 -3.540599486e+00 -3.540599486e+00 2.92 -3.502505276e+00 -3.502505276e+00 2.94 -3.460915232e+00 -3.460915232e+00 2.96 -3.416040347e+00 -3.416040347e+00 2.98 -3.368112365e+00 -3.368112365e+00 3.00 -3.317381080e+00 -3.317381080e+00 3.02 -3.264125100e+00 -3.264125100e+00 3.04 -3.208644798e+00 -3.208644798e+00 3.06 -3.151242226e+00 -3.151242226e+00 3.08 -3.092211964e+00 -3.092211964e+00 3.10 -3.031831811e+00 -3.031831811e+00 3.12 -2.970354707e+00 -2.970354707e+00 3.14 -2.908004632e+00 -2.908004632e+00 3.16 -2.844976745e+00 -2.844976745e+00 3.18 -2.781442104e+00 -2.781442104e+00 3.20 -2.717554707e+00 -2.717554707e+00 3.22 -2.653459201e+00 -2.653459201e+00 3.24 -2.589297495e+00 -2.589297495e+00 3.26 -2.525213115e+00 -2.525213115e+00 3.28 -2.461352812e+00 -2.461352812e+00 3.30 -2.397865536e+00 -2.397865536e+00 3.32 -2.334899340e+00 -2.334899340e+00 3.34 -2.272597051e+00 -2.272597051e+00 3.36 -2.211091646e+00 -2.211091646e+00 3.38 -2.150502209e+00 -2.150502209e+00 3.40 -2.090931114e+00 -2.090931114e+00 3.42 -2.032462900e+00 -2.032462900e+00 3.44 -1.975164664e+00 -1.975164664e+00 3.46 -1.919088039e+00 -1.919088039e+00 3.48 -1.864272021e+00 -1.864272021e+00 3.50 -1.810746078e+00 -1.810746078e+00 3.52 -1.758532845e+00 -1.758532845e+00 3.54 -1.707649843e+00 -1.707649843e+00 3.56 -1.658109903e+00 -1.658109903e+00 3.58 -1.609920386e+00 -1.609920386e+00 3.60 -1.563081643e+00 -1.563081643e+00 3.62 -1.517585368e+00 -1.517585368e+00 3.64 -1.473413524e+00 -1.473413524e+00 3.66 -1.430538260e+00 -1.430538260e+00 3.68 -1.388922897e+00 -1.388922897e+00 3.70 -1.348523762e+00 -1.348523762e+00 3.72 -1.309292461e+00 -1.309292461e+00 3.74 -1.271178199e+00 -1.271178199e+00 3.76 -1.234129840e+00 -1.234129840e+00 3.78 -1.198097536e+00 -1.198097536e+00 3.80 -1.163033905e+00 -1.163033905e+00 3.82 -1.128894773e+00 -1.128894773e+00 3.84 -1.095639566e+00 -1.095639566e+00 3.86 -1.063231432e+00 -1.063231432e+00 3.88 -1.031637156e+00 -1.031637156e+00 3.90 -1.000826926e+00 -1.000826926e+00 3.92 -9.707739766e-01 -9.707739766e-01 3.94 -9.414542922e-01 -9.414542922e-01 3.96 -9.128460111e-01 -9.128460111e-01 3.98 -8.849291122e-01 -8.849291122e-01 4.00 -8.576849819e-01 -8.576849819e-01 4.02 -8.310960694e-01 -8.310960694e-01 4.04 -8.051456193e-01 -8.051456193e-01 4.06 -7.798175001e-01 -7.798175001e-01 4.08 -7.550961395e-01 -7.550961395e-01 4.10 -7.309665037e-01 -7.309665037e-01 4.12 -7.074145284e-01 -7.074145284e-01 4.14 -6.844269307e-01 -6.844269307e-01 4.16 -6.619918399e-01 -6.619918399e-01 4.18 -6.400990809e-01 -6.400990809e-01 4.20 -6.187405386e-01 -6.187405386e-01 4.22 -5.979104667e-01 -5.979104667e-01 4.24 -5.776056848e-01 -5.776056848e-01 4.26 -5.578256013e-01 -5.578256013e-01 4.28 -5.385720172e-01 -5.385720172e-01 4.30 -5.198486795e-01 -5.198486795e-01 4.32 -5.016605897e-01 -5.016605897e-01 4.34 -4.840131081e-01 -4.840131081e-01 4.36 -4.669109311e-01 -4.669109311e-01 4.38 -4.503570464e-01 -4.503570464e-01 4.40 -4.343517812e-01 -4.343517812e-01 4.42 -4.188920478e-01 -4.188920478e-01 4.44 -4.039708611e-01 -4.039708611e-01 4.46 -3.895771635e-01 -3.895771635e-01 4.48 -3.756959443e-01 -3.756959443e-01 4.50 -3.623086102e-01 -3.623086102e-01 4.52 -3.493935344e-01 -3.493935344e-01 4.54 -3.369267068e-01 -3.369267068e-01 4.56 -3.248824149e-01 -3.248824149e-01 4.58 -3.132338968e-01 -3.132338968e-01 4.60 -3.019539303e-01 -3.019539303e-01 4.62 -2.910153400e-01 -2.910153400e-01 4.64 -2.803914220e-01 -2.803914220e-01 4.66 -2.700562951e-01 -2.700562951e-01 4.68 -2.599851996e-01 -2.599851996e-01 4.70 -2.501547625e-01 -2.501547625e-01 4.72 -2.405432516e-01 -2.405432516e-01 4.74 -2.311308365e-01 -2.311308365e-01 4.76 -2.218998695e-01 -2.218998695e-01 4.78 -2.128351935e-01 -2.128351935e-01 4.80 -2.039244329e-01 -2.039244329e-01 4.82 -1.951585184e-01 -1.951585184e-01 4.84 -1.865317525e-01 -1.865317525e-01 4.86 -1.780423101e-01 -1.780423101e-01 4.88 -1.696924190e-01 -1.696924190e-01 4.90 -1.614884723e-01 -1.614884723e-01 4.92 -1.534409738e-01 -1.534409738e-01 4.94 -1.455642771e-01 -1.455642771e-01 4.96 -1.378760869e-01 -1.378760869e-01 4.98 -1.303967186e-01 -1.303967186e-01 5.00 -1.231481319e-01 -1.231481319e-01 5.02 -1.161527907e-01 -1.161527907e-01 5.04 -1.094324261e-01 -1.094324261e-01 5.06 -1.030068009e-01 -1.030068009e-01 5.08 -9.689258254e-02 -9.689258254e-02 5.10 -9.110242050e-02 -9.110242050e-02 5.12 -8.564430489e-02 -8.564430489e-02 5.14 -8.052124831e-02 -8.052124831e-02 5.16 -7.573129350e-02 -7.573129350e-02 5.18 -7.126781037e-02 -7.126781037e-02 5.20 -6.711994194e-02 -6.711994194e-02 5.22 -6.327333817e-02 -6.327333817e-02 5.24 -5.971126217e-02 -5.971126217e-02 5.26 -5.641481705e-02 -5.641481705e-02 5.28 -5.336401490e-02 -5.336401490e-02 5.30 -5.053874835e-02 -5.053874835e-02 5.32 -4.791882141e-02 -4.791882141e-02 5.34 -4.548444024e-02 -4.548444024e-02 5.36 -4.321658060e-02 -4.321658060e-02 5.38 -4.109724158e-02 -4.109724158e-02 5.40 -3.910960490e-02 -3.910960490e-02 5.42 -3.723812020e-02 -3.723812020e-02 5.44 -3.546853563e-02 -3.546853563e-02 5.46 -3.378789093e-02 -3.378789093e-02 5.48 -3.218448758e-02 -3.218448758e-02 5.50 -3.064784781e-02 -3.064784781e-02 5.52 -2.916867144e-02 -2.916867144e-02 5.54 -2.773879735e-02 -2.773879735e-02 5.56 -2.635117260e-02 -2.635117260e-02 5.58 -2.499983212e-02 -2.499983212e-02 5.60 -2.367988811e-02 -2.367988811e-02 5.62 -2.238752619e-02 -2.238752619e-02 5.64 -2.112000406e-02 -2.112000406e-02 5.66 -1.987564631e-02 -1.987564631e-02 5.68 -1.865382803e-02 -1.865382803e-02 5.70 -1.745493904e-02 -1.745493904e-02 5.72 -1.628032121e-02 -1.628032121e-02 5.74 -1.513217291e-02 -1.513217291e-02 5.76 -1.401341379e-02 -1.401341379e-02 5.78 -1.292735121e-02 -1.292735121e-02 5.80 -1.187778893e-02 -1.187778893e-02 5.82 -1.086878600e-02 -1.086878600e-02 5.84 -9.904301436e-03 -9.904301436e-03 5.86 -8.987972220e-03 -8.987972220e-03 5.88 -8.122915598e-03 -8.122915598e-03 5.90 -7.311569743e-03 -7.311569743e-03 5.92 -6.555582994e-03 -6.555582994e-03 5.94 -5.855756744e-03 -5.855756744e-03 5.96 -5.212041525e-03 -5.212041525e-03 5.98 -4.623580883e-03 -4.623580883e-03 6.00 -4.088793896e-03 -4.088793896e-03