# 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 = AgTaW2 # 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 4.299322908e+02 4.299322908e+02 1.30 3.976818774e+02 3.976818774e+02 1.32 3.678939108e+02 3.678939108e+02 1.34 3.403585099e+02 3.403585099e+02 1.36 3.148846384e+02 3.148846384e+02 1.38 2.912993774e+02 2.912993774e+02 1.40 2.694478224e+02 2.694478224e+02 1.42 2.491922313e+02 2.491922313e+02 1.44 2.304097288e+02 2.304097288e+02 1.46 2.129890721e+02 2.129890721e+02 1.48 1.968276951e+02 1.968276951e+02 1.50 1.818300405e+02 1.818300405e+02 1.52 1.679073732e+02 1.679073732e+02 1.54 1.549784557e+02 1.549784557e+02 1.56 1.429701585e+02 1.429701585e+02 1.58 1.318173085e+02 1.318173085e+02 1.60 1.214616236e+02 1.214616236e+02 1.62 1.118500890e+02 1.118500890e+02 1.64 1.029333359e+02 1.029333359e+02 1.66 9.466446020e+01 9.466446020e+01 1.68 8.699844625e+01 8.699844625e+01 1.70 7.989210951e+01 7.989210951e+01 1.72 7.330432956e+01 7.330432956e+01 1.74 6.719634451e+01 6.719634451e+01 1.76 6.153197774e+01 6.153197774e+01 1.78 5.627777518e+01 5.627777518e+01 1.80 5.140307040e+01 5.140307040e+01 1.82 4.687997954e+01 4.687997954e+01 1.84 4.268330449e+01 4.268330449e+01 1.86 3.879031817e+01 3.879031817e+01 1.88 3.518042547e+01 3.518042547e+01 1.90 3.183473080e+01 3.183473080e+01 1.92 2.873662038e+01 2.873662038e+01 1.94 2.587379050e+01 2.587379050e+01 1.96 2.323054568e+01 2.323054568e+01 1.98 2.079152326e+01 2.079152326e+01 2.00 1.854149712e+01 1.854149712e+01 2.02 1.646546984e+01 1.646546984e+01 2.04 1.454936765e+01 1.454936765e+01 2.06 1.278011953e+01 1.278011953e+01 2.08 1.114566189e+01 1.114566189e+01 2.10 9.634891526e+00 9.634891526e+00 2.12 8.237611703e+00 8.237611703e+00 2.14 6.944506136e+00 6.944506136e+00 2.16 5.747144661e+00 5.747144661e+00 2.18 4.637996676e+00 4.637996676e+00 2.20 3.610419334e+00 3.610419334e+00 2.22 2.658598438e+00 2.658598438e+00 2.24 1.777440637e+00 1.777440637e+00 2.26 9.624335802e-01 9.624335802e-01 2.28 2.094989788e-01 2.094989788e-01 2.30 -4.851381544e-01 -4.851381544e-01 2.32 -1.125048473e+00 -1.125048473e+00 2.34 -1.713659094e+00 -1.713659094e+00 2.36 -2.254278081e+00 -2.254278081e+00 2.38 -2.750090447e+00 -2.750090447e+00 2.40 -3.204137056e+00 -3.204137056e+00 2.42 -3.619288282e+00 -3.619288282e+00 2.44 -3.998222120e+00 -3.998222120e+00 2.46 -4.343412328e+00 -4.343412328e+00 2.48 -4.657127840e+00 -4.657127840e+00 2.50 -4.941441502e+00 -4.941441502e+00 2.52 -5.198244797e+00 -5.198244797e+00 2.54 -5.429265485e+00 -5.429265485e+00 2.56 -5.636065701e+00 -5.636065701e+00 2.58 -5.819953358e+00 -5.819953358e+00 2.60 -5.982371957e+00 -5.982371957e+00 2.62 -6.124708240e+00 -6.124708240e+00 2.64 -6.248237249e+00 -6.248237249e+00 2.66 -6.354057181e+00 -6.354057181e+00 2.68 -6.443304186e+00 -6.443304186e+00 2.70 -6.517087859e+00 -6.517087859e+00 2.72 -6.576443259e+00 -6.576443259e+00 2.74 -6.622091609e+00 -6.622091609e+00 2.76 -6.654324056e+00 -6.654324056e+00 2.78 -6.673457098e+00 -6.673457098e+00 2.80 -6.679868072e+00 -6.679868072e+00 2.82 -6.673961140e+00 -6.673961140e+00 2.84 -6.656039607e+00 -6.656039607e+00 2.86 -6.626426471e+00 -6.626426471e+00 2.88 -6.585529771e+00 -6.585529771e+00 2.90 -6.533842031e+00 -6.533842031e+00 2.92 -6.471941370e+00 -6.471941370e+00 2.94 -6.400491466e+00 -6.400491466e+00 2.96 -6.320237237e+00 -6.320237237e+00 2.98 -6.231993582e+00 -6.231993582e+00 3.00 -6.136625727e+00 -6.136625727e+00 3.02 -6.035021372e+00 -6.035021372e+00 3.04 -5.928056739e+00 -5.928056739e+00 3.06 -5.816560146e+00 -5.816560146e+00 3.08 -5.701277636e+00 -5.701277636e+00 3.10 -5.582845086e+00 -5.582845086e+00 3.12 -5.461770184e+00 -5.461770184e+00 3.14 -5.338426061e+00 -5.338426061e+00 3.16 -5.213056482e+00 -5.213056482e+00 3.18 -5.085843350e+00 -5.085843350e+00 3.20 -4.956936984e+00 -4.956936984e+00 3.22 -4.826053648e+00 -4.826053648e+00 3.24 -4.692862677e+00 -4.692862677e+00 3.26 -4.557057159e+00 -4.557057159e+00 3.28 -4.418385369e+00 -4.418385369e+00 3.30 -4.276705402e+00 -4.276705402e+00 3.32 -4.132012767e+00 -4.132012767e+00 3.34 -3.984427329e+00 -3.984427329e+00 3.36 -3.834204269e+00 -3.834204269e+00 3.38 -3.681739104e+00 -3.681739104e+00 3.40 -3.527563782e+00 -3.527563782e+00 3.42 -3.372333426e+00 -3.372333426e+00 3.44 -3.216803951e+00 -3.216803951e+00 3.46 -3.061801629e+00 -3.061801629e+00 3.48 -2.908186575e+00 -2.908186575e+00 3.50 -2.756812999e+00 -2.756812999e+00 3.52 -2.608489659e+00 -2.608489659e+00 3.54 -2.463944152e+00 -2.463944152e+00 3.56 -2.323794334e+00 -2.323794334e+00 3.58 -2.188529316e+00 -2.188529316e+00 3.60 -2.058501282e+00 -2.058501282e+00 3.62 -1.933928024e+00 -1.933928024e+00 3.64 -1.814904878e+00 -1.814904878e+00 3.66 -1.701423824e+00 -1.701423824e+00 3.68 -1.593396997e+00 -1.593396997e+00 3.70 -1.490681795e+00 -1.490681795e+00 3.72 -1.393104968e+00 -1.393104968e+00 3.74 -1.300483624e+00 -1.300483624e+00 3.76 -1.212641663e+00 -1.212641663e+00 3.78 -1.129420851e+00 -1.129420851e+00 3.80 -1.050686379e+00 -1.050686379e+00 3.82 -9.763273285e-01 -9.763273285e-01 3.84 -9.062529414e-01 -9.062529414e-01 3.86 -8.403858965e-01 -8.403858965e-01 3.88 -7.786539573e-01 -7.786539573e-01 3.90 -7.209813379e-01 -7.209813379e-01 3.92 -6.672809567e-01 -6.672809567e-01 3.94 -6.174484521e-01 -6.174484521e-01 3.96 -5.713584633e-01 -5.713584633e-01 3.98 -5.288633304e-01 -5.288633304e-01 4.00 -4.897940298e-01 -4.897940298e-01 4.02 -4.539629447e-01 -4.539629447e-01 4.04 -4.211679378e-01 -4.211679378e-01 4.06 -3.911971629e-01 -3.911971629e-01 4.08 -3.638341083e-01 -3.638341083e-01 4.10 -3.388624428e-01 -3.388624428e-01 4.12 -3.160701300e-01 -3.160701300e-01 4.14 -2.952536713e-01 -2.952536713e-01 4.16 -2.762208614e-01 -2.762208614e-01 4.18 -2.587926870e-01 -2.587926870e-01 4.20 -2.428048086e-01 -2.428048086e-01 4.22 -2.281083529e-01 -2.281083529e-01 4.24 -2.145701027e-01 -2.145701027e-01 4.26 -2.020721667e-01 -2.020721667e-01 4.28 -1.905112084e-01 -1.905112084e-01 4.30 -1.797973116e-01 -1.797973116e-01 4.32 -1.698525636e-01 -1.698525636e-01 4.34 -1.606094569e-01 -1.606094569e-01 4.36 -1.520092020e-01 -1.520092020e-01 4.38 -1.440000625e-01 -1.440000625e-01 4.40 -1.365358102e-01 -1.365358102e-01 4.42 -1.295743786e-01 -1.295743786e-01 4.44 -1.230767810e-01 -1.230767810e-01 4.46 -1.170063147e-01 -1.170063147e-01 4.48 -1.113278614e-01 -1.113278614e-01 4.50 -1.060079421e-01 -1.060079421e-01 4.52 -1.010146132e-01 -1.010146132e-01 4.54 -9.631724533e-02 -9.631724533e-02 4.56 -9.188663404e-02 -9.188663404e-02 4.58 -8.769512946e-02 -8.769512946e-02 4.60 -8.371675321e-02 -8.371675321e-02 4.62 -7.992728740e-02 -7.992728740e-02 4.64 -7.630433083e-02 -7.630433083e-02 4.66 -7.282732599e-02 -7.282732599e-02 4.68 -6.947756525e-02 -6.947756525e-02 4.70 -6.623818699e-02 -6.623818699e-02 4.72 -6.309417175e-02 -6.309417175e-02 4.74 -6.003234710e-02 -6.003234710e-02 4.76 -5.704140685e-02 -5.704140685e-02 4.78 -5.411194635e-02 -5.411194635e-02 4.80 -5.123651124e-02 -5.123651124e-02 4.82 -4.840965668e-02 -4.840965668e-02 4.84 -4.562799618e-02 -4.562799618e-02 4.86 -4.289023909e-02 -4.289023909e-02 4.88 -4.019718842e-02 -4.019718842e-02 4.90 -3.755168529e-02 -3.755168529e-02 4.92 -3.495848185e-02 -3.495848185e-02 4.94 -3.242403016e-02 -3.242403016e-02 4.96 -2.995618048e-02 -2.995618048e-02 4.98 -2.756379470e-02 -2.756379470e-02 5.00 -2.525628846e-02 -2.525628846e-02 5.02 -2.304312790e-02 -2.304312790e-02 5.04 -2.093331515e-02 -2.093331515e-02 5.06 -1.893490082e-02 -1.893490082e-02 5.08 -1.705446954e-02 -1.705446954e-02 5.10 -1.529678893e-02 -1.529678893e-02 5.12 -1.366506828e-02 -1.366506828e-02 5.14 -1.216050328e-02 -1.216050328e-02 5.16 -1.078229284e-02 -1.078229284e-02 5.18 -9.527790089e-03 -9.527790089e-03 5.20 -8.392734976e-03 -8.392734976e-03 5.22 -7.371540023e-03 -7.371540023e-03 5.24 -6.457600892e-03 -6.457600892e-03 5.26 -5.643606898e-03 -5.643606898e-03 5.28 -4.921831743e-03 -4.921831743e-03 5.30 -4.284390816e-03 -4.284390816e-03 5.32 -3.723457231e-03 -3.723457231e-03 5.34 -3.231433794e-03 -3.231433794e-03 5.36 -2.801081962e-03 -2.801081962e-03 5.38 -2.425611500e-03 -2.425611500e-03 5.40 -2.098736126e-03 -2.098736126e-03 5.42 -1.814701043e-03 -1.814701043e-03 5.44 -1.568288288e-03 -1.568288288e-03 5.46 -1.354805373e-03 -1.354805373e-03 5.48 -1.170062010e-03 -1.170062010e-03 5.50 -1.010338937e-03 -1.010338937e-03 5.52 -8.723520596e-04 -8.723520596e-04 5.54 -7.532144027e-04 -7.532144027e-04 5.56 -6.503977216e-04 -6.503977216e-04 5.58 -5.616951001e-04 -5.616951001e-04 5.60 -4.851854168e-04 -4.851854168e-04 5.62 -4.192002349e-04 -4.192002349e-04 5.64 -3.622934131e-04 -3.622934131e-04 5.66 -3.132135472e-04 -3.132135472e-04 5.68 -2.708792227e-04 -2.708792227e-04 5.70 -2.343569678e-04 -2.343569678e-04 5.72 -2.028417434e-04 -2.028417434e-04 5.74 -1.756397700e-04 -1.756397700e-04 5.76 -1.521534827e-04 -1.521534827e-04 5.78 -1.318684001e-04 -1.318684001e-04 5.80 -1.143416993e-04 -1.143416993e-04 5.82 -9.919230407e-05 -9.919230407e-05 5.84 -8.609230163e-05 -8.609230163e-05 5.86 -7.475952672e-05 -7.475952672e-05 5.88 -6.495116187e-05 -6.495116187e-05 5.90 -5.645822246e-05 -5.645822246e-05 5.92 -4.910080872e-05 -4.910080872e-05 5.94 -4.272402140e-05 -4.272402140e-05 5.96 -3.719445043e-05 -3.719445043e-05 5.98 -3.239715778e-05 -3.239715778e-05 6.00 -2.823308575e-05 -2.823308575e-05