# 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 = AuMg2W # 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 4.793551637e+02 4.793551637e+02 1.30 4.440215549e+02 4.440215549e+02 1.32 4.113315591e+02 4.113315591e+02 1.34 3.810840277e+02 3.810840277e+02 1.36 3.530953520e+02 3.530953520e+02 1.38 3.271948647e+02 3.271948647e+02 1.40 3.032215111e+02 3.032215111e+02 1.42 2.810227499e+02 2.810227499e+02 1.44 2.604553347e+02 2.604553347e+02 1.46 2.413866650e+02 2.413866650e+02 1.48 2.236957289e+02 2.236957289e+02 1.50 2.072733212e+02 2.072733212e+02 1.52 1.920214725e+02 1.920214725e+02 1.54 1.778521853e+02 1.778521853e+02 1.56 1.646858774e+02 1.646858774e+02 1.58 1.524499261e+02 1.524499261e+02 1.60 1.410775404e+02 1.410775404e+02 1.62 1.305069651e+02 1.305069651e+02 1.64 1.206809645e+02 1.206809645e+02 1.66 1.115465070e+02 1.115465070e+02 1.68 1.030546067e+02 1.030546067e+02 1.70 9.516036546e+01 9.516036546e+01 1.72 8.782305289e+01 8.782305289e+01 1.74 8.100618736e+01 8.100618736e+01 1.76 7.468586105e+01 7.468586105e+01 1.78 6.882951885e+01 6.882951885e+01 1.80 6.340345238e+01 6.340345238e+01 1.82 5.837525210e+01 5.837525210e+01 1.84 5.371471565e+01 5.371471565e+01 1.86 4.939382629e+01 4.939382629e+01 1.88 4.538692716e+01 4.538692716e+01 1.90 4.167072772e+01 4.167072772e+01 1.92 3.822410735e+01 3.822410735e+01 1.94 3.502781195e+01 3.502781195e+01 1.96 3.206415850e+01 3.206415850e+01 1.98 2.931680337e+01 2.931680337e+01 2.00 2.677057797e+01 2.677057797e+01 2.02 2.441136113e+01 2.441136113e+01 2.04 2.222596271e+01 2.222596271e+01 2.06 2.020200935e+01 2.020200935e+01 2.08 1.832784219e+01 1.832784219e+01 2.10 1.659245001e+01 1.659245001e+01 2.12 1.498544713e+01 1.498544713e+01 2.14 1.349709555e+01 1.349709555e+01 2.16 1.211834960e+01 1.211834960e+01 2.18 1.084089434e+01 1.084089434e+01 2.20 9.657158768e+00 9.657158768e+00 2.22 8.560290722e+00 8.560290722e+00 2.24 7.544102873e+00 7.544102873e+00 2.26 6.603089449e+00 6.603089449e+00 2.28 5.732148930e+00 5.732148930e+00 2.30 4.926495599e+00 4.926495599e+00 2.32 4.181757848e+00 4.181757848e+00 2.34 3.493907297e+00 3.493907297e+00 2.36 2.859199416e+00 2.859199416e+00 2.38 2.274130319e+00 2.274130319e+00 2.40 1.735533178e+00 1.735533178e+00 2.42 1.240657674e+00 1.240657674e+00 2.44 7.868520539e-01 7.868520539e-01 2.46 3.715353501e-01 3.715353501e-01 2.48 -7.787511151e-03 -7.787511151e-03 2.50 -3.535139530e-01 -3.535139530e-01 2.52 -6.679345644e-01 -6.679345644e-01 2.54 -9.532262821e-01 -9.532262821e-01 2.56 -1.211447680e+00 -1.211447680e+00 2.58 -1.444535887e+00 -1.444535887e+00 2.60 -1.654304461e+00 -1.654304461e+00 2.62 -1.842441416e+00 -1.842441416e+00 2.64 -2.010509390e+00 -2.010509390e+00 2.66 -2.159944667e+00 -2.159944667e+00 2.68 -2.292063018e+00 -2.292063018e+00 2.70 -2.408113527e+00 -2.408113527e+00 2.72 -2.509239432e+00 -2.509239432e+00 2.74 -2.596345485e+00 -2.596345485e+00 2.76 -2.670277168e+00 -2.670277168e+00 2.78 -2.731832625e+00 -2.731832625e+00 2.80 -2.781768561e+00 -2.781768561e+00 2.82 -2.820803133e+00 -2.820803133e+00 2.84 -2.849616256e+00 -2.849616256e+00 2.86 -2.868846557e+00 -2.868846557e+00 2.88 -2.879113590e+00 -2.879113590e+00 2.90 -2.881029713e+00 -2.881029713e+00 2.92 -2.875209664e+00 -2.875209664e+00 2.94 -2.862279492e+00 -2.862279492e+00 2.96 -2.842883259e+00 -2.842883259e+00 2.98 -2.817685881e+00 -2.817685881e+00 3.00 -2.787370798e+00 -2.787370798e+00 3.02 -2.752631738e+00 -2.752631738e+00 3.04 -2.714158630e+00 -2.714158630e+00 3.06 -2.672620572e+00 -2.672620572e+00 3.08 -2.628644164e+00 -2.628644164e+00 3.10 -2.582795921e+00 -2.582795921e+00 3.12 -2.535566714e+00 -2.535566714e+00 3.14 -2.487365367e+00 -2.487365367e+00 3.16 -2.438514073e+00 -2.438514073e+00 3.18 -2.389256207e+00 -2.389256207e+00 3.20 -2.339766319e+00 -2.339766319e+00 3.22 -2.290163906e+00 -2.290163906e+00 3.24 -2.240528210e+00 -2.240528210e+00 3.26 -2.190912290e+00 -2.190912290e+00 3.28 -2.141355074e+00 -2.141355074e+00 3.30 -2.091890707e+00 -2.091890707e+00 3.32 -2.042555021e+00 -2.042555021e+00 3.34 -1.993442780e+00 -1.993442780e+00 3.36 -1.944575727e+00 -1.944575727e+00 3.38 -1.895915073e+00 -1.895915073e+00 3.40 -1.847450533e+00 -1.847450533e+00 3.42 -1.799201494e+00 -1.799201494e+00 3.44 -1.751202295e+00 -1.751202295e+00 3.46 -1.703337234e+00 -1.703337234e+00 3.48 -1.655438780e+00 -1.655438780e+00 3.50 -1.607435534e+00 -1.607435534e+00 3.52 -1.559345061e+00 -1.559345061e+00 3.54 -1.511258884e+00 -1.511258884e+00 3.56 -1.463324066e+00 -1.463324066e+00 3.58 -1.415723283e+00 -1.415723283e+00 3.60 -1.368655344e+00 -1.368655344e+00 3.62 -1.322317917e+00 -1.322317917e+00 3.64 -1.276893676e+00 -1.276893676e+00 3.66 -1.232540495e+00 -1.232540495e+00 3.68 -1.189385701e+00 -1.189385701e+00 3.70 -1.147523948e+00 -1.147523948e+00 3.72 -1.107018017e+00 -1.107018017e+00 3.74 -1.067901683e+00 -1.067901683e+00 3.76 -1.030183872e+00 -1.030183872e+00 3.78 -9.938533799e-01 -9.938533799e-01 3.80 -9.588836106e-01 -9.588836106e-01 3.82 -9.252369222e-01 -9.252369222e-01 3.84 -8.928683198e-01 -8.928683198e-01 3.86 -8.617283691e-01 -8.617283691e-01 3.88 -8.317653160e-01 -8.317653160e-01 3.90 -8.029264989e-01 -8.029264989e-01 3.92 -7.751590037e-01 -7.751590037e-01 3.94 -7.484110143e-01 -7.484110143e-01 3.96 -7.226307675e-01 -7.226307675e-01 3.98 -6.977677727e-01 -6.977677727e-01 4.00 -6.737728517e-01 -6.737728517e-01 4.02 -6.505984889e-01 -6.505984889e-01 4.04 -6.281992209e-01 -6.281992209e-01 4.06 -6.065320354e-01 -6.065320354e-01 4.08 -5.855567498e-01 -5.855567498e-01 4.10 -5.652356761e-01 -5.652356761e-01 4.12 -5.455367493e-01 -5.455367493e-01 4.14 -5.264292853e-01 -5.264292853e-01 4.16 -5.078873455e-01 -5.078873455e-01 4.18 -4.898890213e-01 -4.898890213e-01 4.20 -4.724164844e-01 -4.724164844e-01 4.22 -4.554559273e-01 -4.554559273e-01 4.24 -4.389973625e-01 -4.389973625e-01 4.26 -4.230342493e-01 -4.230342493e-01 4.28 -4.075629323e-01 -4.075629323e-01 4.30 -3.925818968e-01 -3.925818968e-01 4.32 -3.780908735e-01 -3.780908735e-01 4.34 -3.640898548e-01 -3.640898548e-01 4.36 -3.505781071e-01 -3.505781071e-01 4.38 -3.375532732e-01 -3.375532732e-01 4.40 -3.250106505e-01 -3.250106505e-01 4.42 -3.129427084e-01 -3.129427084e-01 4.44 -3.013388763e-01 -3.013388763e-01 4.46 -2.901855922e-01 -2.901855922e-01 4.48 -2.794665757e-01 -2.794665757e-01 4.50 -2.691632630e-01 -2.691632630e-01 4.52 -2.592553382e-01 -2.592553382e-01 4.54 -2.497212963e-01 -2.497212963e-01 4.56 -2.405389864e-01 -2.405389864e-01 4.58 -2.316861008e-01 -2.316861008e-01 4.60 -2.231405911e-01 -2.231405911e-01 4.62 -2.148810088e-01 -2.148810088e-01 4.64 -2.068867739e-01 -2.068867739e-01 4.66 -1.991383880e-01 -1.991383880e-01 4.68 -1.916176038e-01 -1.916176038e-01 4.70 -1.843075692e-01 -1.843075692e-01 4.72 -1.771929569e-01 -1.771929569e-01 4.74 -1.702600916e-01 -1.702600916e-01 4.76 -1.634970772e-01 -1.634970772e-01 4.78 -1.568939266e-01 -1.568939266e-01 4.80 -1.504422928e-01 -1.504422928e-01 4.82 -1.441372299e-01 -1.441372299e-01 4.84 -1.379746881e-01 -1.379746881e-01 4.86 -1.319533658e-01 -1.319533658e-01 4.88 -1.260742022e-01 -1.260742022e-01 4.90 -1.203402648e-01 -1.203402648e-01 4.92 -1.147565378e-01 -1.147565378e-01 4.94 -1.093296039e-01 -1.093296039e-01 4.96 -1.040672247e-01 -1.040672247e-01 4.98 -9.897783398e-02 -9.897783398e-02 5.00 -9.406997296e-02 -9.406997296e-02 5.02 -8.935170623e-02 -8.935170623e-02 5.04 -8.483006476e-02 -8.483006476e-02 5.06 -8.051055507e-02 -8.051055507e-02 5.08 -7.639676176e-02 -7.639676176e-02 5.10 -7.249011047e-02 -7.249011047e-02 5.12 -6.878976511e-02 -6.878976511e-02 5.14 -6.529266713e-02 -6.529266713e-02 5.16 -6.199370099e-02 -6.199370099e-02 5.18 -5.888595934e-02 -5.888595934e-02 5.20 -5.596062364e-02 -5.596062364e-02 5.22 -5.320768197e-02 -5.320768197e-02 5.24 -5.061748236e-02 -5.061748236e-02 5.26 -4.817986206e-02 -4.817986206e-02 5.28 -4.588448707e-02 -4.588448707e-02 5.30 -4.372116805e-02 -4.372116805e-02 5.32 -4.168011402e-02 -4.168011402e-02 5.34 -3.975212346e-02 -3.975212346e-02 5.36 -3.792871598e-02 -3.792871598e-02 5.38 -3.620220903e-02 -3.620220903e-02 5.40 -3.456574558e-02 -3.456574558e-02 5.42 -3.301327908e-02 -3.301327908e-02 5.44 -3.153952260e-02 -3.153952260e-02 5.46 -3.013986949e-02 -3.013986949e-02 5.48 -2.881029402e-02 -2.881029402e-02 5.50 -2.754724052e-02 -2.754724052e-02 5.52 -2.634751013e-02 -2.634751013e-02 5.54 -2.520815347e-02 -2.520815347e-02 5.56 -2.412637638e-02 -2.412637638e-02 5.58 -2.309946414e-02 -2.309946414e-02 5.60 -2.212472687e-02 -2.212472687e-02 5.62 -2.119946658e-02 -2.119946658e-02 5.64 -2.032096392e-02 -2.032096392e-02 5.66 -1.948648122e-02 -1.948648122e-02 5.68 -1.869327721e-02 -1.869327721e-02 5.70 -1.793862904e-02 -1.793862904e-02 5.72 -1.721985712e-02 -1.721985712e-02 5.74 -1.653434915e-02 -1.653434915e-02 5.76 -1.587955074e-02 -1.587955074e-02 5.78 -1.525303330e-02 -1.525303330e-02 5.80 -1.465250874e-02 -1.465250874e-02 5.82 -1.407581468e-02 -1.407581468e-02 5.84 -1.352091822e-02 -1.352091822e-02 5.86 -1.298591637e-02 -1.298591637e-02 5.88 -1.246903419e-02 -1.246903419e-02 5.90 -1.196862147e-02 -1.196862147e-02 5.92 -1.148314899e-02 -1.148314899e-02 5.94 -1.101120497e-02 -1.101120497e-02 5.96 -1.055149249e-02 -1.055149249e-02 5.98 -1.010282827e-02 -1.010282827e-02 6.00 -9.664143301e-03 -9.664143301e-03