# 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 = Ag2AuZr # 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 3.496798123e+02 3.496798123e+02 1.30 3.248515949e+02 3.248515949e+02 1.32 3.018358949e+02 3.018358949e+02 1.34 2.804890899e+02 2.804890899e+02 1.36 2.606806685e+02 2.606806685e+02 1.38 2.422912717e+02 2.422912717e+02 1.40 2.252108846e+02 2.252108846e+02 1.42 2.093379102e+02 2.093379102e+02 1.44 1.945787685e+02 1.945787685e+02 1.46 1.808478642e+02 1.808478642e+02 1.48 1.680676731e+02 1.680676731e+02 1.50 1.561684468e+02 1.561684468e+02 1.52 1.450871289e+02 1.450871289e+02 1.54 1.347658921e+02 1.347658921e+02 1.56 1.251507698e+02 1.251507698e+02 1.58 1.161909801e+02 1.161909801e+02 1.60 1.078388892e+02 1.078388892e+02 1.62 1.000502744e+02 1.000502744e+02 1.64 9.278445955e+01 9.278445955e+01 1.66 8.600417988e+01 8.600417988e+01 1.68 7.967522865e+01 7.967522865e+01 1.70 7.376597897e+01 7.376597897e+01 1.72 6.824703996e+01 6.824703996e+01 1.74 6.309108360e+01 6.309108360e+01 1.76 5.827279861e+01 5.827279861e+01 1.78 5.376898848e+01 5.376898848e+01 1.80 4.955877054e+01 4.955877054e+01 1.82 4.562786899e+01 4.562786899e+01 1.84 4.196469198e+01 4.196469198e+01 1.86 3.855265564e+01 3.855265564e+01 1.88 3.537604484e+01 3.537604484e+01 1.90 3.241884013e+01 3.241884013e+01 1.92 2.966610397e+01 2.966610397e+01 1.94 2.710399890e+01 2.710399890e+01 1.96 2.471973800e+01 2.471973800e+01 1.98 2.250152478e+01 2.250152478e+01 2.00 2.043846738e+01 2.043846738e+01 2.02 1.852045776e+01 1.852045776e+01 2.04 1.673803868e+01 1.673803868e+01 2.06 1.508228442e+01 1.508228442e+01 2.08 1.354472811e+01 1.354472811e+01 2.10 1.211731789e+01 1.211731789e+01 2.12 1.079243573e+01 1.079243573e+01 2.14 9.562920276e+00 9.562920276e+00 2.16 8.422098001e+00 8.422098001e+00 2.18 7.363787587e+00 7.363787587e+00 2.20 6.382286473e+00 6.382286473e+00 2.22 5.472327433e+00 5.472327433e+00 2.24 4.629040013e+00 4.629040013e+00 2.26 3.847920637e+00 3.847920637e+00 2.28 3.124820018e+00 3.124820018e+00 2.30 2.455922282e+00 2.455922282e+00 2.32 1.837719480e+00 1.837719480e+00 2.34 1.266991732e+00 1.266991732e+00 2.36 7.407579713e-01 7.407579713e-01 2.38 2.562412105e-01 2.562412105e-01 2.40 -1.891639744e-01 -1.891639744e-01 2.42 -5.979226975e-01 -5.979226975e-01 2.44 -9.723795985e-01 -9.723795985e-01 2.46 -1.314783432e+00 -1.314783432e+00 2.48 -1.627301540e+00 -1.627301540e+00 2.50 -1.912027096e+00 -1.912027096e+00 2.52 -2.171039085e+00 -2.171039085e+00 2.54 -2.406231154e+00 -2.406231154e+00 2.56 -2.619341223e+00 -2.619341223e+00 2.58 -2.812012321e+00 -2.812012321e+00 2.60 -2.985785412e+00 -2.985785412e+00 2.62 -3.142096379e+00 -3.142096379e+00 2.64 -3.282283461e+00 -3.282283461e+00 2.66 -3.407554122e+00 -3.407554122e+00 2.68 -3.518869069e+00 -3.518869069e+00 2.70 -3.617067835e+00 -3.617067835e+00 2.72 -3.702947501e+00 -3.702947501e+00 2.74 -3.777262903e+00 -3.777262903e+00 2.76 -3.840728771e+00 -3.840728771e+00 2.78 -3.894020474e+00 -3.894020474e+00 2.80 -3.937783512e+00 -3.937783512e+00 2.82 -3.972622565e+00 -3.972622565e+00 2.84 -3.999111723e+00 -3.999111723e+00 2.86 -4.017850430e+00 -4.017850430e+00 2.88 -4.029348660e+00 -4.029348660e+00 2.90 -4.034032424e+00 -4.034032424e+00 2.92 -4.032321040e+00 -4.032321040e+00 2.94 -4.024628541e+00 -4.024628541e+00 2.96 -4.011365489e+00 -4.011365489e+00 2.98 -3.992940781e+00 -3.992940781e+00 3.00 -3.969762938e+00 -3.969762938e+00 3.02 -3.942240002e+00 -3.942240002e+00 3.04 -3.910771973e+00 -3.910771973e+00 3.06 -3.875755788e+00 -3.875755788e+00 3.08 -3.837573454e+00 -3.837573454e+00 3.10 -3.796592981e+00 -3.796592981e+00 3.12 -3.753164410e+00 -3.753164410e+00 3.14 -3.707767681e+00 -3.707767681e+00 3.16 -3.660630492e+00 -3.660630492e+00 3.18 -3.611865672e+00 -3.611865672e+00 3.20 -3.561587659e+00 -3.561587659e+00 3.22 -3.509911920e+00 -3.509911920e+00 3.24 -3.456956030e+00 -3.456956030e+00 3.26 -3.402841699e+00 -3.402841699e+00 3.28 -3.347696739e+00 -3.347696739e+00 3.30 -3.291655990e+00 -3.291655990e+00 3.32 -3.234864815e+00 -3.234864815e+00 3.34 -3.177479316e+00 -3.177479316e+00 3.36 -3.119651766e+00 -3.119651766e+00 3.38 -3.061524888e+00 -3.061524888e+00 3.40 -3.003227332e+00 -3.003227332e+00 3.42 -2.944876445e+00 -2.944876445e+00 3.44 -2.886571385e+00 -2.886571385e+00 3.46 -2.828399662e+00 -2.828399662e+00 3.48 -2.770437891e+00 -2.770437891e+00 3.50 -2.712753810e+00 -2.712753810e+00 3.52 -2.655407826e+00 -2.655407826e+00 3.54 -2.598453943e+00 -2.598453943e+00 3.56 -2.541940143e+00 -2.541940143e+00 3.58 -2.485908377e+00 -2.485908377e+00 3.60 -2.430394369e+00 -2.430394369e+00 3.62 -2.375427403e+00 -2.375427403e+00 3.64 -2.321030247e+00 -2.321030247e+00 3.66 -2.267219332e+00 -2.267219332e+00 3.68 -2.214005279e+00 -2.214005279e+00 3.70 -2.161393834e+00 -2.161393834e+00 3.72 -2.109387234e+00 -2.109387234e+00 3.74 -2.057985988e+00 -2.057985988e+00 3.76 -2.007190972e+00 -2.007190972e+00 3.78 -1.957005659e+00 -1.957005659e+00 3.80 -1.907438214e+00 -1.907438214e+00 3.82 -1.858503105e+00 -1.858503105e+00 3.84 -1.810221887e+00 -1.810221887e+00 3.86 -1.762622867e+00 -1.762622867e+00 3.88 -1.715739557e+00 -1.715739557e+00 3.90 -1.669608075e+00 -1.669608075e+00 3.92 -1.624262527e+00 -1.624262527e+00 3.94 -1.579737425e+00 -1.579737425e+00 3.96 -1.536055870e+00 -1.536055870e+00 3.98 -1.493234158e+00 -1.493234158e+00 4.00 -1.451279465e+00 -1.451279465e+00 4.02 -1.410190344e+00 -1.410190344e+00 4.04 -1.369958045e+00 -1.369958045e+00 4.06 -1.330568319e+00 -1.330568319e+00 4.08 -1.292003388e+00 -1.292003388e+00 4.10 -1.254240003e+00 -1.254240003e+00 4.12 -1.217267255e+00 -1.217267255e+00 4.14 -1.181062641e+00 -1.181062641e+00 4.16 -1.145611141e+00 -1.145611141e+00 4.18 -1.110901444e+00 -1.110901444e+00 4.20 -1.076926660e+00 -1.076926660e+00 4.22 -1.043684781e+00 -1.043684781e+00 4.24 -1.011178823e+00 -1.011178823e+00 4.26 -9.794166129e-01 -9.794166129e-01 4.28 -9.484101651e-01 -9.484101651e-01 4.30 -9.181746484e-01 -9.181746484e-01 4.32 -8.887269739e-01 -8.887269739e-01 4.34 -8.600841015e-01 -8.600841015e-01 4.36 -8.322612129e-01 -8.322612129e-01 4.38 -8.052699336e-01 -8.052699336e-01 4.40 -7.791167920e-01 -7.791167920e-01 4.42 -7.538020719e-01 -7.538020719e-01 4.44 -7.293191617e-01 -7.293191617e-01 4.46 -7.056544280e-01 -7.056544280e-01 4.48 -6.827875748e-01 -6.827875748e-01 4.50 -6.606923925e-01 -6.606923925e-01 4.52 -6.393377713e-01 -6.393377713e-01 4.54 -6.186888480e-01 -6.186888480e-01 4.56 -5.987081698e-01 -5.987081698e-01 4.58 -5.793567891e-01 -5.793567891e-01 4.60 -5.605952316e-01 -5.605952316e-01 4.62 -5.423843176e-01 -5.423843176e-01 4.64 -5.246858335e-01 -5.246858335e-01 4.66 -5.074630761e-01 -5.074630761e-01 4.68 -4.906812949e-01 -4.906812949e-01 4.70 -4.743080647e-01 -4.743080647e-01 4.72 -4.583136193e-01 -4.583136193e-01 4.74 -4.426711680e-01 -4.426711680e-01 4.76 -4.273572126e-01 -4.273572126e-01 4.78 -4.123518689e-01 -4.123518689e-01 4.80 -3.976360571e-01 -3.976360571e-01 4.82 -3.832048649e-01 -3.832048649e-01 4.84 -3.690473327e-01 -3.690473327e-01 4.86 -3.551609550e-01 -3.551609550e-01 4.88 -3.415479635e-01 -3.415479635e-01 4.90 -3.282152178e-01 -3.282152178e-01 4.92 -3.151738908e-01 -3.151738908e-01 4.94 -3.024389238e-01 -3.024389238e-01 4.96 -2.900282447e-01 -2.900282447e-01 4.98 -2.779617689e-01 -2.779617689e-01 5.00 -2.662602317e-01 -2.662602317e-01 5.02 -2.549439226e-01 -2.549439226e-01 5.04 -2.440314163e-01 -2.440314163e-01 5.06 -2.335383969e-01 -2.335383969e-01 5.08 -2.234766707e-01 -2.234766707e-01 5.10 -2.138534412e-01 -2.138534412e-01 5.12 -2.046708945e-01 -2.046708945e-01 5.14 -1.959261082e-01 -1.959261082e-01 5.16 -1.876112652e-01 -1.876112652e-01 5.18 -1.797141280e-01 -1.797141280e-01 5.20 -1.722186299e-01 -1.722186299e-01 5.22 -1.651056992e-01 -1.651056992e-01 5.24 -1.583544481e-01 -1.583544481e-01 5.26 -1.519427089e-01 -1.519427089e-01 5.28 -1.458478433e-01 -1.458478433e-01 5.30 -1.400474816e-01 -1.400474816e-01 5.32 -1.345201513e-01 -1.345201513e-01 5.34 -1.292457814e-01 -1.292457814e-01 5.36 -1.242060774e-01 -1.242060774e-01 5.38 -1.193847676e-01 -1.193847676e-01 5.40 -1.147677230e-01 -1.147677230e-01 5.42 -1.103429579e-01 -1.103429579e-01 5.44 -1.061005188e-01 -1.061005188e-01 5.46 -1.020322782e-01 -1.020322782e-01 5.48 -9.813164901e-02 -9.813164901e-02 5.50 -9.439324445e-02 -9.439324445e-02 5.52 -9.081251108e-02 -9.081251108e-02 5.54 -8.738536418e-02 -8.738536418e-02 5.56 -8.410785304e-02 -8.410785304e-02 5.58 -8.097588008e-02 -8.097588008e-02 5.60 -7.798496301e-02 -7.798496301e-02 5.62 -7.512999806e-02 -7.512999806e-02 5.64 -7.240557273e-02 -7.240557273e-02 5.66 -6.980574602e-02 -6.980574602e-02 5.68 -6.732406680e-02 -6.732406680e-02 5.70 -6.495368341e-02 -6.495368341e-02 5.72 -6.268747121e-02 -6.268747121e-02 5.74 -6.051816323e-02 -6.051816323e-02 5.76 -5.843847255e-02 -5.843847255e-02 5.78 -5.644119860e-02 -5.644119860e-02 5.80 -5.451931367e-02 -5.451931367e-02 5.82 -5.266602858e-02 -5.266602858e-02 5.84 -5.087483882e-02 -5.087483882e-02 5.86 -4.913955397e-02 -4.913955397e-02 5.88 -4.745431399e-02 -4.745431399e-02 5.90 -4.581359625e-02 -4.581359625e-02 5.92 -4.421221708e-02 -4.421221708e-02 5.94 -4.264533136e-02 -4.264533136e-02 5.96 -4.110843326e-02 -4.110843326e-02 5.98 -3.959736066e-02 -3.959736066e-02 6.00 -3.810830520e-02 -3.810830520e-02