# 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 = Al2NiPt # 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 1.499104327e+02 1.499104327e+02 1.30 1.392771287e+02 1.392771287e+02 1.32 1.293536499e+02 1.293536499e+02 1.34 1.200953996e+02 1.200953996e+02 1.36 1.114617462e+02 1.114617462e+02 1.38 1.034087731e+02 1.034087731e+02 1.40 9.588806332e+01 9.588806332e+01 1.42 8.885100511e+01 8.885100511e+01 1.44 8.225463953e+01 8.225463953e+01 1.46 7.606548568e+01 7.606548568e+01 1.48 7.025936207e+01 7.025936207e+01 1.50 6.481739722e+01 6.481739722e+01 1.52 5.972095161e+01 5.972095161e+01 1.54 5.494860946e+01 5.494860946e+01 1.56 5.047613662e+01 5.047613662e+01 1.58 4.627813810e+01 4.627813810e+01 1.60 4.232996706e+01 4.232996706e+01 1.62 3.860930941e+01 3.860930941e+01 1.64 3.511028718e+01 3.511028718e+01 1.66 3.186935743e+01 3.186935743e+01 1.68 2.887518415e+01 2.887518415e+01 1.70 2.611557723e+01 2.611557723e+01 1.72 2.357703586e+01 2.357703586e+01 1.74 2.124557959e+01 2.124557959e+01 1.76 1.910654609e+01 1.910654609e+01 1.78 1.714444467e+01 1.714444467e+01 1.80 1.534350944e+01 1.534350944e+01 1.82 1.368860233e+01 1.368860233e+01 1.84 1.216593593e+01 1.216593593e+01 1.86 1.076333664e+01 1.076333664e+01 1.88 9.470135263e+00 9.470135263e+00 1.90 8.276932335e+00 8.276932335e+00 1.92 7.175413915e+00 7.175413915e+00 1.94 6.158246490e+00 6.158246490e+00 1.96 5.218993351e+00 5.218993351e+00 1.98 4.351998205e+00 4.351998205e+00 2.00 3.552229303e+00 3.552229303e+00 2.02 2.815119173e+00 2.815119173e+00 2.04 2.136441802e+00 2.136441802e+00 2.06 1.512239584e+00 1.512239584e+00 2.08 9.387807437e-01 9.387807437e-01 2.10 4.125251672e-01 4.125251672e-01 2.12 -6.990482485e-02 -6.990482485e-02 2.14 -5.117381485e-01 -5.117381485e-01 2.16 -9.160450466e-01 -9.160450466e-01 2.18 -1.285708118e+00 -1.285708118e+00 2.20 -1.623388811e+00 -1.623388811e+00 2.22 -1.931504572e+00 -1.931504572e+00 2.24 -2.212224125e+00 -2.212224125e+00 2.26 -2.467479179e+00 -2.467479179e+00 2.28 -2.698985945e+00 -2.698985945e+00 2.30 -2.908270506e+00 -2.908270506e+00 2.32 -3.096695383e+00 -3.096695383e+00 2.34 -3.265485740e+00 -3.265485740e+00 2.36 -3.415754319e+00 -3.415754319e+00 2.38 -3.548543077e+00 -3.548543077e+00 2.40 -3.665704445e+00 -3.665704445e+00 2.42 -3.768406463e+00 -3.768406463e+00 2.44 -3.857250923e+00 -3.857250923e+00 2.46 -3.932883802e+00 -3.932883802e+00 2.48 -3.996007401e+00 -3.996007401e+00 2.50 -4.047392390e+00 -4.047392390e+00 2.52 -4.087887893e+00 -4.087887893e+00 2.54 -4.118426178e+00 -4.118426178e+00 2.56 -4.140018280e+00 -4.140018280e+00 2.58 -4.153733204e+00 -4.153733204e+00 2.60 -4.160665400e+00 -4.160665400e+00 2.62 -4.161886196e+00 -4.161886196e+00 2.64 -4.158385095e+00 -4.158385095e+00 2.66 -4.151013600e+00 -4.151013600e+00 2.68 -4.140445719e+00 -4.140445719e+00 2.70 -4.127164711e+00 -4.127164711e+00 2.72 -4.111466928e+00 -4.111466928e+00 2.74 -4.093632068e+00 -4.093632068e+00 2.76 -4.074584467e+00 -4.074584467e+00 2.78 -4.054016316e+00 -4.054016316e+00 2.80 -4.031485938e+00 -4.031485938e+00 2.82 -4.006617488e+00 -4.006617488e+00 2.84 -3.979099587e+00 -3.979099587e+00 2.86 -3.948686884e+00 -3.948686884e+00 2.88 -3.915205077e+00 -3.915205077e+00 2.90 -3.878558470e+00 -3.878558470e+00 2.92 -3.838738113e+00 -3.838738113e+00 2.94 -3.795833953e+00 -3.795833953e+00 2.96 -3.750045638e+00 -3.750045638e+00 2.98 -3.701656166e+00 -3.701656166e+00 3.00 -3.651013378e+00 -3.651013378e+00 3.02 -3.598507832e+00 -3.598507832e+00 3.04 -3.544547426e+00 -3.544547426e+00 3.06 -3.489532430e+00 -3.489532430e+00 3.08 -3.433833629e+00 -3.433833629e+00 3.10 -3.377775537e+00 -3.377775537e+00 3.12 -3.321625389e+00 -3.321625389e+00 3.14 -3.265588392e+00 -3.265588392e+00 3.16 -3.209808783e+00 -3.209808783e+00 3.18 -3.154376125e+00 -3.154376125e+00 3.20 -3.099335015e+00 -3.099335015e+00 3.22 -3.044696414e+00 -3.044696414e+00 3.24 -2.990448778e+00 -2.990448778e+00 3.26 -2.936571079e+00 -2.936571079e+00 3.28 -2.883061316e+00 -2.883061316e+00 3.30 -2.829922905e+00 -2.829922905e+00 3.32 -2.777155739e+00 -2.777155739e+00 3.34 -2.724759531e+00 -2.724759531e+00 3.36 -2.672735832e+00 -2.672735832e+00 3.38 -2.621089090e+00 -2.621089090e+00 3.40 -2.569827097e+00 -2.569827097e+00 3.42 -2.518961045e+00 -2.518961045e+00 3.44 -2.468505250e+00 -2.468505250e+00 3.46 -2.418476716e+00 -2.418476716e+00 3.48 -2.368894527e+00 -2.368894527e+00 3.50 -2.319779143e+00 -2.319779143e+00 3.52 -2.271151672e+00 -2.271151672e+00 3.54 -2.223033136e+00 -2.223033136e+00 3.56 -2.175443799e+00 -2.175443799e+00 3.58 -2.128402540e+00 -2.128402540e+00 3.60 -2.081926313e+00 -2.081926313e+00 3.62 -2.036029653e+00 -2.036029653e+00 3.64 -1.990724270e+00 -1.990724270e+00 3.66 -1.946018716e+00 -1.946018716e+00 3.68 -1.901918163e+00 -1.901918163e+00 3.70 -1.858424326e+00 -1.858424326e+00 3.72 -1.815535555e+00 -1.815535555e+00 3.74 -1.773247092e+00 -1.773247092e+00 3.76 -1.731551474e+00 -1.731551474e+00 3.78 -1.690439024e+00 -1.690439024e+00 3.80 -1.649898304e+00 -1.649898304e+00 3.82 -1.609916462e+00 -1.609916462e+00 3.84 -1.570479336e+00 -1.570479336e+00 3.86 -1.531571291e+00 -1.531571291e+00 3.88 -1.493174787e+00 -1.493174787e+00 3.90 -1.455269787e+00 -1.455269787e+00 3.92 -1.417833162e+00 -1.417833162e+00 3.94 -1.380838317e+00 -1.380838317e+00 3.96 -1.344255125e+00 -1.344255125e+00 3.98 -1.308050427e+00 -1.308050427e+00 4.00 -1.272189023e+00 -1.272189023e+00 4.02 -1.236635170e+00 -1.236635170e+00 4.04 -1.201354481e+00 -1.201354481e+00 4.06 -1.166316076e+00 -1.166316076e+00 4.08 -1.131494862e+00 -1.131494862e+00 4.10 -1.096873747e+00 -1.096873747e+00 4.12 -1.062445734e+00 -1.062445734e+00 4.14 -1.028215470e+00 -1.028215470e+00 4.16 -9.942004468e-01 -9.942004468e-01 4.18 -9.604314426e-01 -9.604314426e-01 4.20 -9.269522045e-01 -9.269522045e-01 4.22 -8.938183314e-01 -8.938183314e-01 4.24 -8.610953818e-01 -8.610953818e-01 4.26 -8.288563162e-01 -8.288563162e-01 4.28 -7.971784329e-01 -7.971784329e-01 4.30 -7.661399972e-01 -7.661399972e-01 4.32 -7.358167816e-01 -7.358167816e-01 4.34 -7.062787390e-01 -7.062787390e-01 4.36 -6.775870207e-01 -6.775870207e-01 4.38 -6.497915245e-01 -6.497915245e-01 4.40 -6.229291088e-01 -6.229291088e-01 4.42 -5.970225402e-01 -5.970225402e-01 4.44 -5.720801625e-01 -5.720801625e-01 4.46 -5.480962025e-01 -5.480962025e-01 4.48 -5.250515801e-01 -5.250515801e-01 4.50 -5.029150803e-01 -5.029150803e-01 4.52 -4.816447631e-01 -4.816447631e-01 4.54 -4.611895347e-01 -4.611895347e-01 4.56 -4.414908438e-01 -4.414908438e-01 4.58 -4.224845008e-01 -4.224845008e-01 4.60 -4.041026280e-01 -4.041026280e-01 4.62 -3.862757390e-01 -3.862757390e-01 4.64 -3.689349226e-01 -3.689349226e-01 4.66 -3.520140849e-01 -3.520140849e-01 4.68 -3.354521753e-01 -3.354521753e-01 4.70 -3.191953106e-01 -3.191953106e-01 4.72 -3.031987019e-01 -3.031987019e-01 4.74 -2.874282828e-01 -2.874282828e-01 4.76 -2.718619450e-01 -2.718619450e-01 4.78 -2.564902911e-01 -2.564902911e-01 4.80 -2.413168239e-01 -2.413168239e-01 4.82 -2.263575975e-01 -2.263575975e-01 4.84 -2.116401421e-01 -2.116401421e-01 4.86 -1.972019457e-01 -1.972019457e-01 4.88 -1.830883839e-01 -1.830883839e-01 4.90 -1.693502968e-01 -1.693502968e-01 4.92 -1.560413520e-01 -1.560413520e-01 4.94 -1.432153552e-01 -1.432153552e-01 4.96 -1.309236702e-01 -1.309236702e-01 4.98 -1.192128889e-01 -1.192128889e-01 5.00 -1.081228645e-01 -1.081228645e-01 5.02 -9.768519321e-02 -9.768519321e-02 5.04 -8.792219570e-02 -8.792219570e-02 5.06 -7.884638604e-02 -7.884638604e-02 5.08 -7.046044083e-02 -7.046044083e-02 5.10 -6.275760186e-02 -6.275760186e-02 5.12 -5.572249111e-02 -5.572249111e-02 5.14 -4.933219618e-02 -4.933219618e-02 5.16 -4.355752447e-02 -4.355752447e-02 5.18 -3.836394900e-02 -3.836394900e-02 5.20 -3.371412747e-02 -3.371412747e-02 5.22 -2.956866815e-02 -2.956866815e-02 5.24 -2.588704494e-02 -2.588704494e-02 5.26 -2.262870103e-02 -2.262870103e-02 5.28 -1.975394153e-02 -1.975394153e-02 5.30 -1.722463921e-02 -1.722463921e-02 5.32 -1.500472852e-02 -1.500472852e-02 5.34 -1.306053944e-02 -1.306053944e-02 5.36 -1.136099731e-02 -1.136099731e-02 5.38 -9.878096090e-03 -9.878096090e-03 5.40 -8.586002793e-03 -8.586002793e-03 5.42 -7.461240633e-03 -7.461240633e-03 5.44 -6.482935046e-03 -6.482935046e-03 5.46 -5.632590904e-03 -5.632590904e-03 5.48 -4.893875132e-03 -4.893875132e-03 5.50 -4.252407331e-03 -4.252407331e-03 5.52 -3.695560719e-03 -3.695560719e-03 5.54 -3.212275156e-03 -3.212275156e-03 5.56 -2.792883495e-03 -2.792883495e-03 5.58 -2.428951905e-03 -2.428951905e-03 5.60 -2.113134392e-03 -2.113134392e-03 5.62 -1.839041281e-03 -1.839041281e-03 5.64 -1.601121157e-03 -1.601121157e-03 5.66 -1.394555526e-03 -1.394555526e-03 5.68 -1.215165324e-03 -1.215165324e-03 5.70 -1.059328319e-03 -1.059328319e-03 5.72 -9.239064187e-04 -9.239064187e-04 5.74 -8.061819185e-04 -8.061819185e-04 5.76 -7.038017450e-04 -7.038017450e-04 5.78 -6.147288153e-04 -6.147288153e-04 5.80 -5.371996910e-04 -5.371996910e-04 5.82 -4.696877767e-04 -4.696877767e-04 5.84 -4.108713826e-04 -4.108713826e-04 5.86 -3.596060434e-04 -3.596060434e-04 5.88 -3.149005472e-04 -3.149005472e-04 5.90 -2.758961960e-04 -2.758961960e-04 5.92 -2.418488715e-04 -2.418488715e-04 5.94 -2.121135342e-04 -2.121135342e-04 5.96 -1.861308313e-04 -1.861308313e-04 5.98 -1.634155278e-04 -1.634155278e-04 6.00 -1.435465143e-04 -1.435465143e-04