# 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 = AgPbW2 # 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 4.802321896e+02 4.802321896e+02 1.30 4.462964912e+02 4.462964912e+02 1.32 4.148456784e+02 4.148456784e+02 1.34 3.856742187e+02 3.856742187e+02 1.36 3.585983152e+02 3.585983152e+02 1.38 3.334537273e+02 3.334537273e+02 1.40 3.100934751e+02 3.100934751e+02 1.42 2.883847782e+02 2.883847782e+02 1.44 2.682057619e+02 2.682057619e+02 1.46 2.494429578e+02 2.494429578e+02 1.48 2.319901820e+02 2.319901820e+02 1.50 2.157486184e+02 2.157486184e+02 1.52 2.006273976e+02 2.006273976e+02 1.54 1.865438612e+02 1.865438612e+02 1.56 1.734231070e+02 1.734231070e+02 1.58 1.611969773e+02 1.611969773e+02 1.60 1.498028335e+02 1.498028335e+02 1.62 1.391824475e+02 1.391824475e+02 1.64 1.292811615e+02 1.292811615e+02 1.66 1.200474081e+02 1.200474081e+02 1.68 1.114325617e+02 1.114325617e+02 1.70 1.033910890e+02 1.033910890e+02 1.72 9.588088900e+01 9.588088900e+01 1.74 8.886369156e+01 8.886369156e+01 1.76 8.230534234e+01 8.230534234e+01 1.78 7.617581936e+01 7.617581936e+01 1.80 7.044887429e+01 7.044887429e+01 1.82 6.510137271e+01 6.510137271e+01 1.84 6.011329307e+01 6.011329307e+01 1.86 5.546511689e+01 5.546511689e+01 1.88 5.113742333e+01 5.113742333e+01 1.90 4.711235327e+01 4.711235327e+01 1.92 4.337762951e+01 4.337762951e+01 1.94 3.991439627e+01 3.991439627e+01 1.96 3.670322153e+01 3.670322153e+01 1.98 3.372555771e+01 3.372555771e+01 2.00 3.096383856e+01 3.096383856e+01 2.02 2.840152468e+01 2.840152468e+01 2.04 2.602310774e+01 2.602310774e+01 2.06 2.381408279e+01 2.381408279e+01 2.08 2.176090249e+01 2.176090249e+01 2.10 1.985093898e+01 1.985093898e+01 2.12 1.807247862e+01 1.807247862e+01 2.14 1.641475015e+01 1.641475015e+01 2.16 1.486797500e+01 1.486797500e+01 2.18 1.342340658e+01 1.342340658e+01 2.20 1.207332509e+01 1.207332509e+01 2.22 1.081097941e+01 1.081097941e+01 2.24 9.630476868e+00 9.630476868e+00 2.26 8.526642889e+00 8.526642889e+00 2.28 7.494871422e+00 7.494871422e+00 2.30 6.530992553e+00 6.530992553e+00 2.32 5.631155822e+00 5.631155822e+00 2.34 4.791754383e+00 4.791754383e+00 2.36 4.009366198e+00 4.009366198e+00 2.38 3.280724831e+00 3.280724831e+00 2.40 2.602707605e+00 2.602707605e+00 2.42 1.972337240e+00 1.972337240e+00 2.44 1.386793861e+00 1.386793861e+00 2.46 8.435705706e-01 8.435705706e-01 2.48 3.401176373e-01 3.401176373e-01 2.50 -1.260441093e-01 -1.260441093e-01 2.52 -5.571998134e-01 -5.571998134e-01 2.54 -9.554569043e-01 -9.554569043e-01 2.56 -1.322763764e+00 -1.322763764e+00 2.58 -1.660928058e+00 -1.660928058e+00 2.60 -1.971630557e+00 -1.971630557e+00 2.62 -2.256209506e+00 -2.256209506e+00 2.64 -2.515510501e+00 -2.515510501e+00 2.66 -2.750354361e+00 -2.750354361e+00 2.68 -2.961587694e+00 -2.961587694e+00 2.70 -3.150073639e+00 -3.150073639e+00 2.72 -3.316686811e+00 -3.316686811e+00 2.74 -3.462310567e+00 -3.462310567e+00 2.76 -3.587835464e+00 -3.587835464e+00 2.78 -3.694158349e+00 -3.694158349e+00 2.80 -3.782182359e+00 -3.782182359e+00 2.82 -3.852818661e+00 -3.852818661e+00 2.84 -3.906990949e+00 -3.906990949e+00 2.86 -3.945643217e+00 -3.945643217e+00 2.88 -3.969750396e+00 -3.969750396e+00 2.90 -3.980330366e+00 -3.980330366e+00 2.92 -3.978454856e+00 -3.978454856e+00 2.94 -3.965256064e+00 -3.965256064e+00 2.96 -3.941925838e+00 -3.941925838e+00 2.98 -3.909704965e+00 -3.909704965e+00 3.00 -3.869861610e+00 -3.869861610e+00 3.02 -3.823659950e+00 -3.823659950e+00 3.04 -3.772321722e+00 -3.772321722e+00 3.06 -3.716987897e+00 -3.716987897e+00 3.08 -3.658679307e+00 -3.658679307e+00 3.10 -3.598270117e+00 -3.598270117e+00 3.12 -3.536469197e+00 -3.536469197e+00 3.14 -3.473830389e+00 -3.473830389e+00 3.16 -3.410851510e+00 -3.410851510e+00 3.18 -3.347668238e+00 -3.347668238e+00 3.20 -3.284235427e+00 -3.284235427e+00 3.22 -3.220422691e+00 -3.220422691e+00 3.24 -3.156034486e+00 -3.156034486e+00 3.26 -3.090830507e+00 -3.090830507e+00 3.28 -3.024549800e+00 -3.024549800e+00 3.30 -2.956947514e+00 -2.956947514e+00 3.32 -2.887801600e+00 -2.887801600e+00 3.34 -2.816950955e+00 -2.816950955e+00 3.36 -2.744306832e+00 -2.744306832e+00 3.38 -2.669653349e+00 -2.669653349e+00 3.40 -2.592873130e+00 -2.592873130e+00 3.42 -2.513983361e+00 -2.513983361e+00 3.44 -2.433102604e+00 -2.433102604e+00 3.46 -2.350418941e+00 -2.350418941e+00 3.48 -2.266262489e+00 -2.266262489e+00 3.50 -2.181094642e+00 -2.181094642e+00 3.52 -2.095476673e+00 -2.095476673e+00 3.54 -2.010031514e+00 -2.010031514e+00 3.56 -1.925402744e+00 -1.925402744e+00 3.58 -1.842215141e+00 -1.842215141e+00 3.60 -1.761040677e+00 -1.761040677e+00 3.62 -1.682372751e+00 -1.682372751e+00 3.64 -1.606609993e+00 -1.606609993e+00 3.66 -1.534049535e+00 -1.534049535e+00 3.68 -1.464888504e+00 -1.464888504e+00 3.70 -1.399231755e+00 -1.399231755e+00 3.72 -1.337103642e+00 -1.337103642e+00 3.74 -1.278461757e+00 -1.278461757e+00 3.76 -1.223210970e+00 -1.223210970e+00 3.78 -1.171216631e+00 -1.171216631e+00 3.80 -1.122316275e+00 -1.122316275e+00 3.82 -1.076329567e+00 -1.076329567e+00 3.84 -1.033066505e+00 -1.033066505e+00 3.86 -9.923339963e-01 -9.923339963e-01 3.88 -9.539410192e-01 -9.539410192e-01 3.90 -9.177025243e-01 -9.177025243e-01 3.92 -8.834418779e-01 -8.834418779e-01 3.94 -8.509943958e-01 -8.509943958e-01 3.96 -8.202059067e-01 -8.202059067e-01 3.98 -7.909350594e-01 -7.909350594e-01 4.00 -7.630528553e-01 -7.630528553e-01 4.02 -7.364423044e-01 -7.364423044e-01 4.04 -7.109978462e-01 -7.109978462e-01 4.06 -6.866246334e-01 -6.866246334e-01 4.08 -6.632377638e-01 -6.632377638e-01 4.10 -6.407600690e-01 -6.407600690e-01 4.12 -6.191274649e-01 -6.191274649e-01 4.14 -5.982787713e-01 -5.982787713e-01 4.16 -5.781618560e-01 -5.781618560e-01 4.18 -5.587313745e-01 -5.587313745e-01 4.20 -5.399483382e-01 -5.399483382e-01 4.22 -5.217797034e-01 -5.217797034e-01 4.24 -5.041979428e-01 -5.041979428e-01 4.26 -4.871805588e-01 -4.871805588e-01 4.28 -4.707095040e-01 -4.707095040e-01 4.30 -4.547704879e-01 -4.547704879e-01 4.32 -4.393521649e-01 -4.393521649e-01 4.34 -4.244452383e-01 -4.244452383e-01 4.36 -4.100415201e-01 -4.100415201e-01 4.38 -3.961330171e-01 -3.961330171e-01 4.40 -3.827111091e-01 -3.827111091e-01 4.42 -3.697658930e-01 -3.697658930e-01 4.44 -3.572857394e-01 -3.572857394e-01 4.46 -3.452570758e-01 -3.452570758e-01 4.48 -3.336638656e-01 -3.336638656e-01 4.50 -3.224887879e-01 -3.224887879e-01 4.52 -3.117136073e-01 -3.117136073e-01 4.54 -3.013188056e-01 -3.013188056e-01 4.56 -2.912840736e-01 -2.912840736e-01 4.58 -2.815887689e-01 -2.815887689e-01 4.60 -2.722123146e-01 -2.722123146e-01 4.62 -2.631345273e-01 -2.631345273e-01 4.64 -2.543358774e-01 -2.543358774e-01 4.66 -2.457976888e-01 -2.457976888e-01 4.68 -2.375022915e-01 -2.375022915e-01 4.70 -2.294331435e-01 -2.294331435e-01 4.72 -2.215749323e-01 -2.215749323e-01 4.74 -2.139136718e-01 -2.139136718e-01 4.76 -2.064367987e-01 -2.064367987e-01 4.78 -1.991332755e-01 -1.991332755e-01 4.80 -1.919929016e-01 -1.919929016e-01 4.82 -1.850097343e-01 -1.850097343e-01 4.84 -1.781770052e-01 -1.781770052e-01 4.86 -1.714908101e-01 -1.714908101e-01 4.88 -1.649491976e-01 -1.649491976e-01 4.90 -1.585521501e-01 -1.585521501e-01 4.92 -1.523014940e-01 -1.523014940e-01 4.94 -1.462007246e-01 -1.462007246e-01 4.96 -1.402547434e-01 -1.402547434e-01 4.98 -1.344695100e-01 -1.344695100e-01 5.00 -1.288516243e-01 -1.288516243e-01 5.02 -1.234078644e-01 -1.234078644e-01 5.04 -1.181447144e-01 -1.181447144e-01 5.06 -1.130679176e-01 -1.130679176e-01 5.08 -1.081820922e-01 -1.081820922e-01 5.10 -1.034904402e-01 -1.034904402e-01 5.12 -9.899456715e-02 -9.899456715e-02 5.14 -9.469441888e-02 -9.469441888e-02 5.16 -9.058832866e-02 -9.058832866e-02 5.18 -8.667315525e-02 -8.667315525e-02 5.20 -8.294448635e-02 -8.294448635e-02 5.22 -7.939687829e-02 -7.939687829e-02 5.24 -7.602410414e-02 -7.602410414e-02 5.26 -7.281936925e-02 -7.281936925e-02 5.28 -6.977544474e-02 -6.977544474e-02 5.30 -6.688504438e-02 -6.688504438e-02 5.32 -6.414083325e-02 -6.414083325e-02 5.34 -6.153548086e-02 -6.153548086e-02 5.36 -5.906171035e-02 -5.906171035e-02 5.38 -5.671232626e-02 -5.671232626e-02 5.40 -5.448022970e-02 -5.448022970e-02 5.42 -5.235842886e-02 -5.235842886e-02 5.44 -5.034005002e-02 -5.034005002e-02 5.46 -4.841835213e-02 -4.841835213e-02 5.48 -4.658674589e-02 -4.658674589e-02 5.50 -4.483881651e-02 -4.483881651e-02 5.52 -4.316834845e-02 -4.316834845e-02 5.54 -4.156935018e-02 -4.156935018e-02 5.56 -4.003607689e-02 -4.003607689e-02 5.58 -3.856304988e-02 -3.856304988e-02 5.60 -3.714507165e-02 -3.714507165e-02 5.62 -3.577723667e-02 -3.577723667e-02 5.64 -3.445493778e-02 -3.445493778e-02 5.66 -3.317386929e-02 -3.317386929e-02 5.68 -3.193002783e-02 -3.193002783e-02 5.70 -3.071971178e-02 -3.071971178e-02 5.72 -2.953952052e-02 -2.953952052e-02 5.74 -2.838635454e-02 -2.838635454e-02 5.76 -2.725741716e-02 -2.725741716e-02 5.78 -2.615021845e-02 -2.615021845e-02 5.80 -2.506258163e-02 -2.506258163e-02 5.82 -2.399265195e-02 -2.399265195e-02 5.84 -2.293890748e-02 -2.293890748e-02 5.86 -2.190017127e-02 -2.190017127e-02 5.88 -2.087562355e-02 -2.087562355e-02 5.90 -1.986481259e-02 -1.986481259e-02 5.92 -1.886766242e-02 -1.886766242e-02 5.94 -1.788446355e-02 -1.788446355e-02 5.96 -1.691581158e-02 -1.691581158e-02 5.98 -1.596274637e-02 -1.596274637e-02 6.00 -1.502666168e-02 -1.502666168e-02