# 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 = Cu2FePb # 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 1.912130096e+02 1.912130096e+02 1.30 1.765079198e+02 1.765079198e+02 1.32 1.629427250e+02 1.629427250e+02 1.34 1.504225655e+02 1.504225655e+02 1.36 1.388588842e+02 1.388588842e+02 1.38 1.281703314e+02 1.281703314e+02 1.40 1.182835717e+02 1.182835717e+02 1.42 1.091334676e+02 1.091334676e+02 1.44 1.006622805e+02 1.006622805e+02 1.46 9.281822006e+01 9.281822006e+01 1.48 8.555405622e+01 8.555405622e+01 1.50 7.882619150e+01 7.882619150e+01 1.52 7.259414881e+01 7.259414881e+01 1.54 6.682022004e+01 6.682022004e+01 1.56 6.146918841e+01 6.146918841e+01 1.58 5.650828138e+01 5.650828138e+01 1.60 5.190926302e+01 5.190926302e+01 1.62 4.765199693e+01 4.765199693e+01 1.64 4.371227632e+01 4.371227632e+01 1.66 4.006787312e+01 4.006787312e+01 1.68 3.669840261e+01 3.669840261e+01 1.70 3.358443766e+01 3.358443766e+01 1.72 3.070703119e+01 3.070703119e+01 1.74 2.804771555e+01 2.804771555e+01 1.76 2.558885671e+01 2.558885671e+01 1.78 2.331409035e+01 2.331409035e+01 1.80 2.120859590e+01 2.120859590e+01 1.82 1.925915148e+01 1.925915148e+01 1.84 1.745400188e+01 1.745400188e+01 1.86 1.578262960e+01 1.578262960e+01 1.88 1.423550338e+01 1.423550338e+01 1.90 1.280384812e+01 1.280384812e+01 1.92 1.147948050e+01 1.147948050e+01 1.94 1.025472457e+01 1.025472457e+01 1.96 9.122377235e+00 9.122377235e+00 1.98 8.075705040e+00 8.075705040e+00 2.00 7.108436305e+00 7.108436305e+00 2.02 6.214744331e+00 6.214744331e+00 2.04 5.389228687e+00 5.389228687e+00 2.06 4.626904068e+00 4.626904068e+00 2.08 3.923192200e+00 3.923192200e+00 2.10 3.273908754e+00 3.273908754e+00 2.12 2.675234960e+00 2.675234960e+00 2.14 2.123671236e+00 2.123671236e+00 2.16 1.615984682e+00 1.615984682e+00 2.18 1.149158807e+00 1.149158807e+00 2.20 7.203534385e-01 7.203534385e-01 2.22 3.268816835e-01 3.268816835e-01 2.24 -3.379926135e-02 -3.379926135e-02 2.26 -3.640899067e-01 -3.640899067e-01 2.28 -6.662560180e-01 -6.662560180e-01 2.30 -9.424358840e-01 -9.424358840e-01 2.32 -1.194659595e+00 -1.194659595e+00 2.34 -1.424845950e+00 -1.424845950e+00 2.36 -1.634794242e+00 -1.634794242e+00 2.38 -1.826159924e+00 -1.826159924e+00 2.40 -2.000432995e+00 -2.000432995e+00 2.42 -2.158929410e+00 -2.158929410e+00 2.44 -2.302798812e+00 -2.302798812e+00 2.46 -2.433045508e+00 -2.433045508e+00 2.48 -2.550555510e+00 -2.550555510e+00 2.50 -2.656123949e+00 -2.656123949e+00 2.52 -2.750479237e+00 -2.750479237e+00 2.54 -2.834304392e+00 -2.834304392e+00 2.56 -2.908425140e+00 -2.908425140e+00 2.58 -2.973742166e+00 -2.973742166e+00 2.60 -3.030414858e+00 -3.030414858e+00 2.62 -3.078637986e+00 -3.078637986e+00 2.64 -3.118680070e+00 -3.118680070e+00 2.66 -3.150869777e+00 -3.150869777e+00 2.68 -3.175589989e+00 -3.175589989e+00 2.70 -3.193267321e+00 -3.193267321e+00 2.72 -3.204334009e+00 -3.204334009e+00 2.74 -3.209215957e+00 -3.209215957e+00 2.76 -3.208344846e+00 -3.208344846e+00 2.78 -3.202131428e+00 -3.202131428e+00 2.80 -3.190952342e+00 -3.190952342e+00 2.82 -3.175142901e+00 -3.175142901e+00 2.84 -3.155002129e+00 -3.155002129e+00 2.86 -3.130802000e+00 -3.130802000e+00 2.88 -3.102816724e+00 -3.102816724e+00 2.90 -3.071328402e+00 -3.071328402e+00 2.92 -3.036526835e+00 -3.036526835e+00 2.94 -2.998620028e+00 -2.998620028e+00 2.96 -2.957837941e+00 -2.957837941e+00 2.98 -2.914424751e+00 -2.914424751e+00 3.00 -2.868630633e+00 -2.868630633e+00 3.02 -2.820701060e+00 -2.820701060e+00 3.04 -2.770861675e+00 -2.770861675e+00 3.06 -2.719331533e+00 -2.719331533e+00 3.08 -2.666320262e+00 -2.666320262e+00 3.10 -2.612029865e+00 -2.612029865e+00 3.12 -2.556653768e+00 -2.556653768e+00 3.14 -2.500381678e+00 -2.500381678e+00 3.16 -2.443397172e+00 -2.443397172e+00 3.18 -2.385883370e+00 -2.385883370e+00 3.20 -2.328023482e+00 -2.328023482e+00 3.22 -2.270001117e+00 -2.270001117e+00 3.24 -2.211999334e+00 -2.211999334e+00 3.26 -2.154198608e+00 -2.154198608e+00 3.28 -2.096773997e+00 -2.096773997e+00 3.30 -2.039891832e+00 -2.039891832e+00 3.32 -1.983706218e+00 -1.983706218e+00 3.34 -1.928355611e+00 -1.928355611e+00 3.36 -1.873959762e+00 -1.873959762e+00 3.38 -1.820617304e+00 -1.820617304e+00 3.40 -1.768404042e+00 -1.768404042e+00 3.42 -1.717373486e+00 -1.717373486e+00 3.44 -1.667556079e+00 -1.667556079e+00 3.46 -1.618961978e+00 -1.618961978e+00 3.48 -1.571583277e+00 -1.571583277e+00 3.50 -1.525397020e+00 -1.525397020e+00 3.52 -1.480368446e+00 -1.480368446e+00 3.54 -1.436454227e+00 -1.436454227e+00 3.56 -1.393605570e+00 -1.393605570e+00 3.58 -1.351771072e+00 -1.351771072e+00 3.60 -1.310899329e+00 -1.310899329e+00 3.62 -1.270941290e+00 -1.270941290e+00 3.64 -1.231852385e+00 -1.231852385e+00 3.66 -1.193594417e+00 -1.193594417e+00 3.68 -1.156137199e+00 -1.156137199e+00 3.70 -1.119459871e+00 -1.119459871e+00 3.72 -1.083551806e+00 -1.083551806e+00 3.74 -1.048412989e+00 -1.048412989e+00 3.76 -1.014053771e+00 -1.014053771e+00 3.78 -9.804938932e-01 -9.804938932e-01 3.80 -9.477607450e-01 -9.477607450e-01 3.82 -9.158868704e-01 -9.158868704e-01 3.84 -8.849068433e-01 -8.849068433e-01 3.86 -8.548537355e-01 -8.548537355e-01 3.88 -8.257555081e-01 -8.257555081e-01 3.90 -7.976317215e-01 -7.976317215e-01 3.92 -7.704905193e-01 -7.704905193e-01 3.94 -7.443288260e-01 -7.443288260e-01 3.96 -7.191290587e-01 -7.191290587e-01 3.98 -6.948617242e-01 -6.948617242e-01 4.00 -6.714863768e-01 -6.714863768e-01 4.02 -6.489536752e-01 -6.489536752e-01 4.04 -6.272076942e-01 -6.272076942e-01 4.06 -6.061882163e-01 -6.061882163e-01 4.08 -5.858328116e-01 -5.858328116e-01 4.10 -5.660775895e-01 -5.660775895e-01 4.12 -5.468628978e-01 -5.468628978e-01 4.14 -5.281277768e-01 -5.281277768e-01 4.16 -5.098156179e-01 -5.098156179e-01 4.18 -4.918737539e-01 -4.918737539e-01 4.20 -4.742542711e-01 -4.742542711e-01 4.22 -4.569148665e-01 -4.569148665e-01 4.24 -4.398197919e-01 -4.398197919e-01 4.26 -4.229408897e-01 -4.229408897e-01 4.28 -4.062586845e-01 -4.062586845e-01 4.30 -3.897634499e-01 -3.897634499e-01 4.32 -3.734561256e-01 -3.734561256e-01 4.34 -3.573489275e-01 -3.573489275e-01 4.36 -3.414654761e-01 -3.414654761e-01 4.38 -3.258402821e-01 -3.258402821e-01 4.40 -3.105174709e-01 -3.105174709e-01 4.42 -2.955487118e-01 -2.955487118e-01 4.44 -2.809904242e-01 -2.809904242e-01 4.46 -2.669004489e-01 -2.669004489e-01 4.48 -2.533344782e-01 -2.533344782e-01 4.50 -2.403425919e-01 -2.403425919e-01 4.52 -2.279662557e-01 -2.279662557e-01 4.54 -2.162360709e-01 -2.162360709e-01 4.56 -2.051704605e-01 -2.051704605e-01 4.58 -1.947753350e-01 -1.947753350e-01 4.60 -1.850446645e-01 -1.850446645e-01 4.62 -1.759617849e-01 -1.759617849e-01 4.64 -1.675011925e-01 -1.675011925e-01 4.66 -1.596305769e-01 -1.596305769e-01 4.68 -1.523128931e-01 -1.523128931e-01 4.70 -1.455082934e-01 -1.455082934e-01 4.72 -1.391751689e-01 -1.391751689e-01 4.74 -1.332728866e-01 -1.332728866e-01 4.76 -1.277626010e-01 -1.277626010e-01 4.78 -1.226072046e-01 -1.226072046e-01 4.80 -1.177711492e-01 -1.177711492e-01 4.82 -1.132241058e-01 -1.132241058e-01 4.84 -1.089359243e-01 -1.089359243e-01 4.86 -1.048802415e-01 -1.048802415e-01 4.88 -1.010334276e-01 -1.010334276e-01 4.90 -9.737442007e-02 -9.737442007e-02 4.92 -9.388452516e-02 -9.388452516e-02 4.94 -9.054720783e-02 -9.054720783e-02 4.96 -8.734788455e-02 -8.734788455e-02 4.98 -8.427372901e-02 -8.427372901e-02 5.00 -8.131349619e-02 -8.131349619e-02 5.02 -7.845736794e-02 -7.845736794e-02 5.04 -7.569682054e-02 -7.569682054e-02 5.06 -7.302451340e-02 -7.302451340e-02 5.08 -7.043419599e-02 -7.043419599e-02 5.10 -6.792062947e-02 -6.792062947e-02 5.12 -6.547951957e-02 -6.547951957e-02 5.14 -6.310745466e-02 -6.310745466e-02 5.16 -6.080184402e-02 -6.080184402e-02 5.18 -5.856085122e-02 -5.856085122e-02 5.20 -5.638331800e-02 -5.638331800e-02 5.22 -5.426867526e-02 -5.426867526e-02 5.24 -5.221683967e-02 -5.221683967e-02 5.26 -5.022808366e-02 -5.022808366e-02 5.28 -4.830277807e-02 -4.830277807e-02 5.30 -4.644156838e-02 -4.644156838e-02 5.32 -4.464512315e-02 -4.464512315e-02 5.34 -4.291394134e-02 -4.291394134e-02 5.36 -4.124824212e-02 -4.124824212e-02 5.38 -3.964787757e-02 -3.964787757e-02 5.40 -3.811227315e-02 -3.811227315e-02 5.42 -3.664039770e-02 -3.664039770e-02 5.44 -3.523076232e-02 -3.523076232e-02 5.46 -3.388144496e-02 -3.388144496e-02 5.48 -3.259013583e-02 -3.259013583e-02 5.50 -3.135419767e-02 -3.135419767e-02 5.52 -3.017073462e-02 -3.017073462e-02 5.54 -2.903666412e-02 -2.903666412e-02 5.56 -2.794878713e-02 -2.794878713e-02 5.58 -2.690385292e-02 -2.690385292e-02 5.60 -2.589861639e-02 -2.589861639e-02 5.62 -2.492988679e-02 -2.492988679e-02 5.64 -2.399456735e-02 -2.399456735e-02 5.66 -2.308968702e-02 -2.308968702e-02 5.68 -2.221242496e-02 -2.221242496e-02 5.70 -2.136012922e-02 -2.136012922e-02 5.72 -2.053033110e-02 -2.053033110e-02 5.74 -1.972075637e-02 -1.972075637e-02 5.76 -1.892933486e-02 -1.892933486e-02 5.78 -1.815420903e-02 -1.815420903e-02 5.80 -1.739374254e-02 -1.739374254e-02 5.82 -1.664652898e-02 -1.664652898e-02 5.84 -1.591140101e-02 -1.591140101e-02 5.86 -1.518743947e-02 -1.518743947e-02 5.88 -1.447398210e-02 -1.447398210e-02 5.90 -1.377063088e-02 -1.377063088e-02 5.92 -1.307725694e-02 -1.307725694e-02 5.94 -1.239399038e-02 -1.239399038e-02 5.96 -1.172117570e-02 -1.172117570e-02 5.98 -1.105948246e-02 -1.105948246e-02 6.00 -1.040983098e-02 -1.040983098e-02