# 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 = AgFeZr2 # 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 3.240019543e+02 3.240019543e+02 1.30 3.000049577e+02 3.000049577e+02 1.32 2.778045434e+02 2.778045434e+02 1.34 2.572539454e+02 2.572539454e+02 1.36 2.382197440e+02 2.382197440e+02 1.38 2.205815220e+02 2.205815220e+02 1.40 2.042307850e+02 2.042307850e+02 1.42 1.890689549e+02 1.890689549e+02 1.44 1.750055628e+02 1.750055628e+02 1.46 1.619576515e+02 1.619576515e+02 1.48 1.498499504e+02 1.498499504e+02 1.50 1.386144758e+02 1.386144758e+02 1.52 1.281891431e+02 1.281891431e+02 1.54 1.185160620e+02 1.185160620e+02 1.56 1.095405211e+02 1.095405211e+02 1.58 1.012109656e+02 1.012109656e+02 1.60 9.347932399e+01 9.347932399e+01 1.62 8.630106263e+01 8.630106263e+01 1.64 7.963493471e+01 7.963493471e+01 1.66 7.344266680e+01 7.344266680e+01 1.68 6.768876864e+01 6.768876864e+01 1.70 6.234056368e+01 6.234056368e+01 1.72 5.736815320e+01 5.736815320e+01 1.74 5.274427447e+01 5.274427447e+01 1.76 4.844401234e+01 4.844401234e+01 1.78 4.444450210e+01 4.444450210e+01 1.80 4.072461360e+01 4.072461360e+01 1.82 3.726470337e+01 3.726470337e+01 1.84 3.404632570e+01 3.404632570e+01 1.86 3.105217862e+01 3.105217862e+01 1.88 2.826633866e+01 2.826633866e+01 1.90 2.567498486e+01 2.567498486e+01 1.92 2.326476027e+01 2.326476027e+01 1.94 2.102336704e+01 2.102336704e+01 1.96 1.894019966e+01 1.894019966e+01 1.98 1.700504500e+01 1.700504500e+01 2.00 1.520799404e+01 1.520799404e+01 2.02 1.353978513e+01 1.353978513e+01 2.04 1.199174207e+01 1.199174207e+01 2.06 1.055570953e+01 1.055570953e+01 2.08 9.223987779e+00 9.223987779e+00 2.10 7.989296019e+00 7.989296019e+00 2.12 6.844776391e+00 6.844776391e+00 2.14 5.784018231e+00 5.784018231e+00 2.16 4.801105186e+00 4.801105186e+00 2.18 3.890618540e+00 3.890618540e+00 2.20 3.047609624e+00 3.047609624e+00 2.22 2.267518246e+00 2.267518246e+00 2.24 1.546107885e+00 1.546107885e+00 2.26 8.794335135e-01 8.794335135e-01 2.28 2.638249107e-01 2.638249107e-01 2.30 -3.040784911e-01 -3.040784911e-01 2.32 -8.273704624e-01 -8.273704624e-01 2.34 -1.308865012e+00 -1.308865012e+00 2.36 -1.751166459e+00 -1.751166459e+00 2.38 -2.156711784e+00 -2.156711784e+00 2.40 -2.527816178e+00 -2.527816178e+00 2.42 -2.866717167e+00 -2.866717167e+00 2.44 -3.175592245e+00 -3.175592245e+00 2.46 -3.456575848e+00 -3.456575848e+00 2.48 -3.711750339e+00 -3.711750339e+00 2.50 -3.943124084e+00 -3.943124084e+00 2.52 -4.152601964e+00 -4.152601964e+00 2.54 -4.341956753e+00 -4.341956753e+00 2.56 -4.512808445e+00 -4.512808445e+00 2.58 -4.666616160e+00 -4.666616160e+00 2.60 -4.804683593e+00 -4.804683593e+00 2.62 -4.928171058e+00 -4.928171058e+00 2.64 -5.038130103e+00 -5.038130103e+00 2.66 -5.135589775e+00 -5.135589775e+00 2.68 -5.221409871e+00 -5.221409871e+00 2.70 -5.296225863e+00 -5.296225863e+00 2.72 -5.360638583e+00 -5.360638583e+00 2.74 -5.415213258e+00 -5.415213258e+00 2.76 -5.460478508e+00 -5.460478508e+00 2.78 -5.496922973e+00 -5.496922973e+00 2.80 -5.525008321e+00 -5.525008321e+00 2.82 -5.545074546e+00 -5.545074546e+00 2.84 -5.557208355e+00 -5.557208355e+00 2.86 -5.561498888e+00 -5.561498888e+00 2.88 -5.558095136e+00 -5.558095136e+00 2.90 -5.547201540e+00 -5.547201540e+00 2.92 -5.529073514e+00 -5.529073514e+00 2.94 -5.504011942e+00 -5.504011942e+00 2.96 -5.472356299e+00 -5.472356299e+00 2.98 -5.434476570e+00 -5.434476570e+00 3.00 -5.390764488e+00 -5.390764488e+00 3.02 -5.341624830e+00 -5.341624830e+00 3.04 -5.287462935e+00 -5.287462935e+00 3.06 -5.228698089e+00 -5.228698089e+00 3.08 -5.165728090e+00 -5.165728090e+00 3.10 -5.098949770e+00 -5.098949770e+00 3.12 -5.028750054e+00 -5.028750054e+00 3.14 -4.955524367e+00 -4.955524367e+00 3.16 -4.879650878e+00 -4.879650878e+00 3.18 -4.801509963e+00 -4.801509963e+00 3.20 -4.721483692e+00 -4.721483692e+00 3.22 -4.639955827e+00 -4.639955827e+00 3.24 -4.557311172e+00 -4.557311172e+00 3.26 -4.473934213e+00 -4.473934213e+00 3.28 -4.390237152e+00 -4.390237152e+00 3.30 -4.306644175e+00 -4.306644175e+00 3.32 -4.223447299e+00 -4.223447299e+00 3.34 -4.140867377e+00 -4.140867377e+00 3.36 -4.059068667e+00 -4.059068667e+00 3.38 -3.978196015e+00 -3.978196015e+00 3.40 -3.898365118e+00 -3.898365118e+00 3.42 -3.819665459e+00 -3.819665459e+00 3.44 -3.742146974e+00 -3.742146974e+00 3.46 -3.665832065e+00 -3.665832065e+00 3.48 -3.590719211e+00 -3.590719211e+00 3.50 -3.516791269e+00 -3.516791269e+00 3.52 -3.444017647e+00 -3.444017647e+00 3.54 -3.372358337e+00 -3.372358337e+00 3.56 -3.301767781e+00 -3.301767781e+00 3.58 -3.232197643e+00 -3.232197643e+00 3.60 -3.163598678e+00 -3.163598678e+00 3.62 -3.095921970e+00 -3.095921970e+00 3.64 -3.029119792e+00 -3.029119792e+00 3.66 -2.963146370e+00 -2.963146370e+00 3.68 -2.897958775e+00 -2.897958775e+00 3.70 -2.833518125e+00 -2.833518125e+00 3.72 -2.769791237e+00 -2.769791237e+00 3.74 -2.706752733e+00 -2.706752733e+00 3.76 -2.644387520e+00 -2.644387520e+00 3.78 -2.582693364e+00 -2.582693364e+00 3.80 -2.521683141e+00 -2.521683141e+00 3.82 -2.461386191e+00 -2.461386191e+00 3.84 -2.401848195e+00 -2.401848195e+00 3.86 -2.343129127e+00 -2.343129127e+00 3.88 -2.285299134e+00 -2.285299134e+00 3.90 -2.228432698e+00 -2.228432698e+00 3.92 -2.172598284e+00 -2.172598284e+00 3.94 -2.117866857e+00 -2.117866857e+00 3.96 -2.064282721e+00 -2.064282721e+00 3.98 -2.011877186e+00 -2.011877186e+00 4.00 -1.960663250e+00 -1.960663250e+00 4.02 -1.910636926e+00 -1.910636926e+00 4.04 -1.861780117e+00 -1.861780117e+00 4.06 -1.814064282e+00 -1.814064282e+00 4.08 -1.767454228e+00 -1.767454228e+00 4.10 -1.721904264e+00 -1.721904264e+00 4.12 -1.677391438e+00 -1.677391438e+00 4.14 -1.633869654e+00 -1.633869654e+00 4.16 -1.591304809e+00 -1.591304809e+00 4.18 -1.549666692e+00 -1.549666692e+00 4.20 -1.508929390e+00 -1.508929390e+00 4.22 -1.469071369e+00 -1.469071369e+00 4.24 -1.430075312e+00 -1.430075312e+00 4.26 -1.391927766e+00 -1.391927766e+00 4.28 -1.354618644e+00 -1.354618644e+00 4.30 -1.318140608e+00 -1.318140608e+00 4.32 -1.282488355e+00 -1.282488355e+00 4.34 -1.247657836e+00 -1.247657836e+00 4.36 -1.213645454e+00 -1.213645454e+00 4.38 -1.180447286e+00 -1.180447286e+00 4.40 -1.148058392e+00 -1.148058392e+00 4.42 -1.116472249e+00 -1.116472249e+00 4.44 -1.085680356e+00 -1.085680356e+00 4.46 -1.055672019e+00 -1.055672019e+00 4.48 -1.026434320e+00 -1.026434320e+00 4.50 -9.979522361e-01 -9.979522361e-01 4.52 -9.702088778e-01 -9.702088778e-01 4.54 -9.431858019e-01 -9.431858019e-01 4.56 -9.168633620e-01 -9.168633620e-01 4.58 -8.912210597e-01 -8.912210597e-01 4.60 -8.662378762e-01 -8.662378762e-01 4.62 -8.418925690e-01 -8.418925690e-01 4.64 -8.181639294e-01 -8.181639294e-01 4.66 -7.950310033e-01 -7.950310033e-01 4.68 -7.724732798e-01 -7.724732798e-01 4.70 -7.504708573e-01 -7.504708573e-01 4.72 -7.290045940e-01 -7.290045940e-01 4.74 -7.080562510e-01 -7.080562510e-01 4.76 -6.876086317e-01 -6.876086317e-01 4.78 -6.676457201e-01 -6.676457201e-01 4.80 -6.481466572e-01 -6.481466572e-01 4.82 -6.291115480e-01 -6.291115480e-01 4.84 -6.105213065e-01 -6.105213065e-01 4.86 -5.923658965e-01 -5.923658965e-01 4.88 -5.746369482e-01 -5.746369482e-01 4.90 -5.573277378e-01 -5.573277378e-01 4.92 -5.404330938e-01 -5.404330938e-01 4.94 -5.239492209e-01 -5.239492209e-01 4.96 -5.078734361e-01 -5.078734361e-01 4.98 -4.922038238e-01 -4.922038238e-01 5.00 -4.769388245e-01 -4.769388245e-01 5.02 -4.620767815e-01 -4.620767815e-01 5.04 -4.476154800e-01 -4.476154800e-01 5.06 -4.335517141e-01 -4.335517141e-01 5.08 -4.198809198e-01 -4.198809198e-01 5.10 -4.065969059e-01 -4.065969059e-01 5.12 -3.936917046e-01 -3.936917046e-01 5.14 -3.811555546e-01 -3.811555546e-01 5.16 -3.689770147e-01 -3.689770147e-01 5.18 -3.571431985e-01 -3.571431985e-01 5.20 -3.456401108e-01 -3.456401108e-01 5.22 -3.344530618e-01 -3.344530618e-01 5.24 -3.235671352e-01 -3.235671352e-01 5.26 -3.129676844e-01 -3.129676844e-01 5.28 -3.026408326e-01 -3.026408326e-01 5.30 -2.925739552e-01 -2.925739552e-01 5.32 -2.827561196e-01 -2.827561196e-01 5.34 -2.731784613e-01 -2.731784613e-01 5.36 -2.638344701e-01 -2.638344701e-01 5.38 -2.547201640e-01 -2.547201640e-01 5.40 -2.458341260e-01 -2.458341260e-01 5.42 -2.371773883e-01 -2.371773883e-01 5.44 -2.287531546e-01 -2.287531546e-01 5.46 -2.205663661e-01 -2.205663661e-01 5.48 -2.126231321e-01 -2.126231321e-01 5.50 -2.049300622e-01 -2.049300622e-01 5.52 -1.974935546e-01 -1.974935546e-01 5.54 -1.903190984e-01 -1.903190984e-01 5.56 -1.834106501e-01 -1.834106501e-01 5.58 -1.767701376e-01 -1.767701376e-01 5.60 -1.703969934e-01 -1.703969934e-01 5.62 -1.642880032e-01 -1.642880032e-01 5.64 -1.584379365e-01 -1.584379365e-01 5.66 -1.528391794e-01 -1.528391794e-01 5.68 -1.474820050e-01 -1.474820050e-01 5.70 -1.423549522e-01 -1.423549522e-01 5.72 -1.374452387e-01 -1.374452387e-01 5.74 -1.327391688e-01 -1.327391688e-01 5.76 -1.282225113e-01 -1.282225113e-01 5.78 -1.238808282e-01 -1.238808282e-01 5.80 -1.196997460e-01 -1.196997460e-01 5.82 -1.156651675e-01 -1.156651675e-01 5.84 -1.117634289e-01 -1.117634289e-01 5.86 -1.079814088e-01 -1.079814088e-01 5.88 -1.043065994e-01 -1.043065994e-01 5.90 -1.007271487e-01 -1.007271487e-01 5.92 -9.723188480e-02 -9.723188480e-02 5.94 -9.381033108e-02 -9.381033108e-02 5.96 -9.045271904e-02 -9.045271904e-02 5.98 -8.715000668e-02 -8.715000668e-02 6.00 -8.389390694e-02 -8.389390694e-02