# 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 = AuMo2Zr # 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 3.696866722e+02 3.696866722e+02 1.30 3.434018341e+02 3.434018341e+02 1.32 3.190292786e+02 3.190292786e+02 1.34 2.964099356e+02 2.964099356e+02 1.36 2.754034154e+02 2.754034154e+02 1.38 2.558850668e+02 2.558850668e+02 1.40 2.377422796e+02 2.377422796e+02 1.42 2.208712487e+02 2.208712487e+02 1.44 2.051749455e+02 2.051749455e+02 1.46 1.905627868e+02 1.905627868e+02 1.48 1.769514927e+02 1.769514927e+02 1.50 1.642660107e+02 1.642660107e+02 1.52 1.524395448e+02 1.524395448e+02 1.54 1.414126839e+02 1.414126839e+02 1.56 1.311318876e+02 1.311318876e+02 1.58 1.215480388e+02 1.215480388e+02 1.60 1.126152890e+02 1.126152890e+02 1.62 1.042902228e+02 1.042902228e+02 1.64 9.653123194e+01 9.653123194e+01 1.66 8.929818345e+01 8.929818345e+01 1.68 8.255246614e+01 8.255246614e+01 1.70 7.625736813e+01 7.625736813e+01 1.72 7.037875015e+01 7.037875015e+01 1.74 6.488573869e+01 6.488573869e+01 1.76 5.975116172e+01 5.975116172e+01 1.78 5.495153352e+01 5.495153352e+01 1.80 5.046654150e+01 5.046654150e+01 1.82 4.627822121e+01 4.627822121e+01 1.84 4.236999255e+01 4.236999255e+01 1.86 3.872589190e+01 3.872589190e+01 1.88 3.533016505e+01 3.533016505e+01 1.90 3.216760206e+01 3.216760206e+01 1.92 2.922778685e+01 2.922778685e+01 1.94 2.650595008e+01 2.650595008e+01 1.96 2.398629172e+01 2.398629172e+01 1.98 2.165351401e+01 2.165351401e+01 2.00 1.949343978e+01 1.949343978e+01 2.02 1.749296049e+01 1.749296049e+01 2.04 1.563993817e+01 1.563993817e+01 2.06 1.392308133e+01 1.392308133e+01 2.08 1.233183928e+01 1.233183928e+01 2.10 1.085631769e+01 1.085631769e+01 2.12 9.487287822e+00 9.487287822e+00 2.14 8.216227840e+00 8.216227840e+00 2.16 7.035392078e+00 7.035392078e+00 2.18 5.937842767e+00 5.937842767e+00 2.20 4.917430603e+00 4.917430603e+00 2.22 3.968709074e+00 3.968709074e+00 2.24 3.086828578e+00 3.086828578e+00 2.26 2.267431878e+00 2.267431878e+00 2.28 1.506577926e+00 1.506577926e+00 2.30 8.006678554e-01 8.006678554e-01 2.32 1.463883549e-01 1.463883549e-01 2.34 -4.593180928e-01 -4.593180928e-01 2.36 -1.019307166e+00 -1.019307166e+00 2.38 -1.536259147e+00 -1.536259147e+00 2.40 -2.012700371e+00 -2.012700371e+00 2.42 -2.451022830e+00 -2.451022830e+00 2.44 -2.853495373e+00 -2.853495373e+00 2.46 -3.222282921e+00 -3.222282921e+00 2.48 -3.559459932e+00 -3.559459932e+00 2.50 -3.867018146e+00 -3.867018146e+00 2.52 -4.146863287e+00 -4.146863287e+00 2.54 -4.400800914e+00 -4.400800914e+00 2.56 -4.630517560e+00 -4.630517560e+00 2.58 -4.837566008e+00 -4.837566008e+00 2.60 -5.023361142e+00 -5.023361142e+00 2.62 -5.189184971e+00 -5.189184971e+00 2.64 -5.336211471e+00 -5.336211471e+00 2.66 -5.465509694e+00 -5.465509694e+00 2.68 -5.578080327e+00 -5.578080327e+00 2.70 -5.674916387e+00 -5.674916387e+00 2.72 -5.756868624e+00 -5.756868624e+00 2.74 -5.824741134e+00 -5.824741134e+00 2.76 -5.879185050e+00 -5.879185050e+00 2.78 -5.920879200e+00 -5.920879200e+00 2.80 -5.950855276e+00 -5.950855276e+00 2.82 -5.970103659e+00 -5.970103659e+00 2.84 -5.979575152e+00 -5.979575152e+00 2.86 -5.980135240e+00 -5.980135240e+00 2.88 -5.972507873e+00 -5.972507873e+00 2.90 -5.957392312e+00 -5.957392312e+00 2.92 -5.935327652e+00 -5.935327652e+00 2.94 -5.906401481e+00 -5.906401481e+00 2.96 -5.870689997e+00 -5.870689997e+00 2.98 -5.828350781e+00 -5.828350781e+00 3.00 -5.779608508e+00 -5.779608508e+00 3.02 -5.724747117e+00 -5.724747117e+00 3.04 -5.664144322e+00 -5.664144322e+00 3.06 -5.598071014e+00 -5.598071014e+00 3.08 -5.526770296e+00 -5.526770296e+00 3.10 -5.450481720e+00 -5.450481720e+00 3.12 -5.369426358e+00 -5.369426358e+00 3.14 -5.283812722e+00 -5.283812722e+00 3.16 -5.193817837e+00 -5.193817837e+00 3.18 -5.099603381e+00 -5.099603381e+00 3.20 -5.001311738e+00 -5.001311738e+00 3.22 -4.899081768e+00 -4.899081768e+00 3.24 -4.793066402e+00 -4.793066402e+00 3.26 -4.683445822e+00 -4.683445822e+00 3.28 -4.570440020e+00 -4.570440020e+00 3.30 -4.454319215e+00 -4.454319215e+00 3.32 -4.335410811e+00 -4.335410811e+00 3.34 -4.214102267e+00 -4.214102267e+00 3.36 -4.090840175e+00 -4.090840175e+00 3.38 -3.966126327e+00 -3.966126327e+00 3.40 -3.840510409e+00 -3.840510409e+00 3.42 -3.714585568e+00 -3.714585568e+00 3.44 -3.588970205e+00 -3.588970205e+00 3.46 -3.464297713e+00 -3.464297713e+00 3.48 -3.341196770e+00 -3.341196770e+00 3.50 -3.220270457e+00 -3.220270457e+00 3.52 -3.102074821e+00 -3.102074821e+00 3.54 -2.987099183e+00 -2.987099183e+00 3.56 -2.875750408e+00 -2.875750408e+00 3.58 -2.768342688e+00 -2.768342688e+00 3.60 -2.665093554e+00 -2.665093554e+00 3.62 -2.566125944e+00 -2.566125944e+00 3.64 -2.471475429e+00 -2.471475429e+00 3.66 -2.381101296e+00 -2.381101296e+00 3.68 -2.294900034e+00 -2.294900034e+00 3.70 -2.212719840e+00 -2.212719840e+00 3.72 -2.134375029e+00 -2.134375029e+00 3.74 -2.059659484e+00 -2.059659484e+00 3.76 -1.988358564e+00 -1.988358564e+00 3.78 -1.920259087e+00 -1.920259087e+00 3.80 -1.855157152e+00 -1.855157152e+00 3.82 -1.792863640e+00 -1.792863640e+00 3.84 -1.733207326e+00 -1.733207326e+00 3.86 -1.676035661e+00 -1.676035661e+00 3.88 -1.621213451e+00 -1.621213451e+00 3.90 -1.568619929e+00 -1.568619929e+00 3.92 -1.518143405e+00 -1.518143405e+00 3.94 -1.469683537e+00 -1.469683537e+00 3.96 -1.423138061e+00 -1.423138061e+00 3.98 -1.378407521e+00 -1.378407521e+00 4.00 -1.335392465e+00 -1.335392465e+00 4.02 -1.293993683e+00 -1.293993683e+00 4.04 -1.254113288e+00 -1.254113288e+00 4.06 -1.215656236e+00 -1.215656236e+00 4.08 -1.178531908e+00 -1.178531908e+00 4.10 -1.142650266e+00 -1.142650266e+00 4.12 -1.107944816e+00 -1.107944816e+00 4.14 -1.074338728e+00 -1.074338728e+00 4.16 -1.041769530e+00 -1.041769530e+00 4.18 -1.010182685e+00 -1.010182685e+00 4.20 -9.795314027e-01 -9.795314027e-01 4.22 -9.497762556e-01 -9.497762556e-01 4.24 -9.208846005e-01 -9.208846005e-01 4.26 -8.928298346e-01 -8.928298346e-01 4.28 -8.655904841e-01 -8.655904841e-01 4.30 -8.391491499e-01 -8.391491499e-01 4.32 -8.134913486e-01 -8.134913486e-01 4.34 -7.886043111e-01 -7.886043111e-01 4.36 -7.644758181e-01 -7.644758181e-01 4.38 -7.410931581e-01 -7.410931581e-01 4.40 -7.184422861e-01 -7.184422861e-01 4.42 -6.965072374e-01 -6.965072374e-01 4.44 -6.752698220e-01 -6.752698220e-01 4.46 -6.547095856e-01 -6.547095856e-01 4.48 -6.348039092e-01 -6.348039092e-01 4.50 -6.155283524e-01 -6.155283524e-01 4.52 -5.968575810e-01 -5.968575810e-01 4.54 -5.787654060e-01 -5.787654060e-01 4.56 -5.612252596e-01 -5.612252596e-01 4.58 -5.442106519e-01 -5.442106519e-01 4.60 -5.276955539e-01 -5.276955539e-01 4.62 -5.116547023e-01 -5.116547023e-01 4.64 -4.960638366e-01 -4.960638366e-01 4.66 -4.808998798e-01 -4.808998798e-01 4.68 -4.661410800e-01 -4.661410800e-01 4.70 -4.517671284e-01 -4.517671284e-01 4.72 -4.377592670e-01 -4.377592670e-01 4.74 -4.241003951e-01 -4.241003951e-01 4.76 -4.107751806e-01 -4.107751806e-01 4.78 -3.977701763e-01 -3.977701763e-01 4.80 -3.850707572e-01 -3.850707572e-01 4.82 -3.726744773e-01 -3.726744773e-01 4.84 -3.605703631e-01 -3.605703631e-01 4.86 -3.487534890e-01 -3.487534890e-01 4.88 -3.372211141e-01 -3.372211141e-01 4.90 -3.259725691e-01 -3.259725691e-01 4.92 -3.150090467e-01 -3.150090467e-01 4.94 -3.043332865e-01 -3.043332865e-01 4.96 -2.939491590e-01 -2.939491590e-01 4.98 -2.838611654e-01 -2.838611654e-01 5.00 -2.740738808e-01 -2.740738808e-01 5.02 -2.645913796e-01 -2.645913796e-01 5.04 -2.554166873e-01 -2.554166873e-01 5.06 -2.465513026e-01 -2.465513026e-01 5.08 -2.379948281e-01 -2.379948281e-01 5.10 -2.297447359e-01 -2.297447359e-01 5.12 -2.217962805e-01 -2.217962805e-01 5.14 -2.141425571e-01 -2.141425571e-01 5.16 -2.067746886e-01 -2.067746886e-01 5.18 -1.996821173e-01 -1.996821173e-01 5.20 -1.928529708e-01 -1.928529708e-01 5.22 -1.862744702e-01 -1.862744702e-01 5.24 -1.799333538e-01 -1.799333538e-01 5.26 -1.738162915e-01 -1.738162915e-01 5.28 -1.679102711e-01 -1.679102711e-01 5.30 -1.622029441e-01 -1.622029441e-01 5.32 -1.566829188e-01 -1.566829188e-01 5.34 -1.513399961e-01 -1.513399961e-01 5.36 -1.461653392e-01 -1.461653392e-01 5.38 -1.411515732e-01 -1.411515732e-01 5.40 -1.362928105e-01 -1.362928105e-01 5.42 -1.315845981e-01 -1.315845981e-01 5.44 -1.270237897e-01 -1.270237897e-01 5.46 -1.226083455e-01 -1.226083455e-01 5.48 -1.183370739e-01 -1.183370739e-01 5.50 -1.142093296e-01 -1.142093296e-01 5.52 -1.102246939e-01 -1.102246939e-01 5.54 -1.063826605e-01 -1.063826605e-01 5.56 -1.026823527e-01 -1.026823527e-01 5.58 -9.912229315e-02 -9.912229315e-02 5.60 -9.570013521e-02 -9.570013521e-02 5.62 -9.241273577e-02 -9.241273577e-02 5.64 -8.925624238e-02 -8.925624238e-02 5.66 -8.622595012e-02 -8.622595012e-02 5.68 -8.331640595e-02 -8.331640595e-02 5.70 -8.052154601e-02 -8.052154601e-02 5.72 -7.783484808e-02 -7.783484808e-02 5.74 -7.524948431e-02 -7.524948431e-02 5.76 -7.275846330e-02 -7.275846330e-02 5.78 -7.035475387e-02 -7.035475387e-02 5.80 -6.803138706e-02 -6.803138706e-02 5.82 -6.578153564e-02 -6.578153564e-02 5.84 -6.359857286e-02 -6.359857286e-02 5.86 -6.147611327e-02 -6.147611327e-02 5.88 -5.940803992e-02 -5.940803992e-02 5.90 -5.738852168e-02 -5.738852168e-02 5.92 -5.541202524e-02 -5.541202524e-02 5.94 -5.347332527e-02 -5.347332527e-02 5.96 -5.156751616e-02 -5.156751616e-02 5.98 -4.969002821e-02 -4.969002821e-02 6.00 -4.783665187e-02 -4.783665187e-02