# 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 = AuNi2Pt # 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 2.332256755e+02 2.332256755e+02 1.30 2.159750650e+02 2.159750650e+02 1.32 1.999446025e+02 1.999446025e+02 1.34 1.850518703e+02 1.850518703e+02 1.36 1.712212547e+02 1.712212547e+02 1.38 1.583765804e+02 1.583765804e+02 1.40 1.464403789e+02 1.464403789e+02 1.42 1.353375389e+02 1.353375389e+02 1.44 1.249988252e+02 1.249988252e+02 1.46 1.153629960e+02 1.153629960e+02 1.48 1.063778685e+02 1.063778685e+02 1.50 9.799970811e+01 9.799970811e+01 1.52 9.019028810e+01 9.019028810e+01 1.54 8.291286345e+01 8.291286345e+01 1.56 7.612958128e+01 7.612958128e+01 1.58 6.980145652e+01 6.980145652e+01 1.60 6.388989933e+01 6.388989933e+01 1.62 5.835840815e+01 5.835840815e+01 1.64 5.317383918e+01 5.317383918e+01 1.66 4.830720750e+01 4.830720750e+01 1.68 4.373407587e+01 4.373407587e+01 1.70 3.944404958e+01 3.944404958e+01 1.72 3.547754333e+01 3.547754333e+01 1.74 3.183540783e+01 3.183540783e+01 1.76 2.849512637e+01 2.849512637e+01 1.78 2.543500192e+01 2.543500192e+01 1.80 2.263400593e+01 2.263400593e+01 1.82 2.007195739e+01 2.007195739e+01 1.84 1.772977411e+01 1.772977411e+01 1.86 1.558970049e+01 1.558970049e+01 1.88 1.363540378e+01 1.363540378e+01 1.90 1.185184438e+01 1.185184438e+01 1.92 1.022498446e+01 1.022498446e+01 1.94 8.741536075e+00 8.741536075e+00 1.96 7.388910066e+00 7.388910066e+00 1.98 6.155358869e+00 6.155358869e+00 2.00 5.030175727e+00 5.030175727e+00 2.02 4.003811357e+00 4.003811357e+00 2.04 3.067855176e+00 3.067855176e+00 2.06 2.214909101e+00 2.214909101e+00 2.08 1.438412232e+00 1.438412232e+00 2.10 7.324660393e-01 7.324660393e-01 2.12 9.168926174e-02 9.168926174e-02 2.14 -4.888856069e-01 -4.888856069e-01 2.16 -1.013875145e+00 -1.013875145e+00 2.18 -1.487577373e+00 -1.487577373e+00 2.20 -1.913987212e+00 -1.913987212e+00 2.22 -2.296804719e+00 -2.296804719e+00 2.24 -2.639439934e+00 -2.639439934e+00 2.26 -2.945016692e+00 -2.945016692e+00 2.28 -3.216381601e+00 -3.216381601e+00 2.30 -3.456126916e+00 -3.456126916e+00 2.32 -3.666630967e+00 -3.666630967e+00 2.34 -3.850108133e+00 -3.850108133e+00 2.36 -4.008651712e+00 -4.008651712e+00 2.38 -4.144264596e+00 -4.144264596e+00 2.40 -4.260036746e+00 -4.260036746e+00 2.42 -4.358173042e+00 -4.358173042e+00 2.44 -4.439830774e+00 -4.439830774e+00 2.46 -4.506182555e+00 -4.506182555e+00 2.48 -4.558421603e+00 -4.558421603e+00 2.50 -4.597765477e+00 -4.597765477e+00 2.52 -4.625449330e+00 -4.625449330e+00 2.54 -4.642703135e+00 -4.642703135e+00 2.56 -4.650714578e+00 -4.650714578e+00 2.58 -4.650582568e+00 -4.650582568e+00 2.60 -4.643278199e+00 -4.643278199e+00 2.62 -4.629628440e+00 -4.629628440e+00 2.64 -4.610315022e+00 -4.610315022e+00 2.66 -4.585909395e+00 -4.585909395e+00 2.68 -4.556926787e+00 -4.556926787e+00 2.70 -4.523699057e+00 -4.523699057e+00 2.72 -4.486472776e+00 -4.486472776e+00 2.74 -4.445290652e+00 -4.445290652e+00 2.76 -4.400198094e+00 -4.400198094e+00 2.78 -4.351297546e+00 -4.351297546e+00 2.80 -4.298726362e+00 -4.298726362e+00 2.82 -4.242639066e+00 -4.242639066e+00 2.84 -4.183196074e+00 -4.183196074e+00 2.86 -4.120560922e+00 -4.120560922e+00 2.88 -4.054914706e+00 -4.054914706e+00 2.90 -3.986471029e+00 -3.986471029e+00 2.92 -3.915489767e+00 -3.915489767e+00 2.94 -3.842286094e+00 -3.842286094e+00 2.96 -3.767230669e+00 -3.767230669e+00 2.98 -3.690738822e+00 -3.690738822e+00 3.00 -3.613249491e+00 -3.613249491e+00 3.02 -3.535197747e+00 -3.535197747e+00 3.04 -3.456986794e+00 -3.456986794e+00 3.06 -3.378965376e+00 -3.378965376e+00 3.08 -3.301414471e+00 -3.301414471e+00 3.10 -3.224544226e+00 -3.224544226e+00 3.12 -3.148519076e+00 -3.148519076e+00 3.14 -3.073530667e+00 -3.073530667e+00 3.16 -2.999719052e+00 -2.999719052e+00 3.18 -2.927162114e+00 -2.927162114e+00 3.20 -2.855896405e+00 -2.855896405e+00 3.22 -2.785932897e+00 -2.785932897e+00 3.24 -2.717268079e+00 -2.717268079e+00 3.26 -2.649891238e+00 -2.649891238e+00 3.28 -2.583788865e+00 -2.583788865e+00 3.30 -2.518947046e+00 -2.518947046e+00 3.32 -2.455352501e+00 -2.455352501e+00 3.34 -2.392992748e+00 -2.392992748e+00 3.36 -2.331855738e+00 -2.331855738e+00 3.38 -2.271929177e+00 -2.271929177e+00 3.40 -2.213199698e+00 -2.213199698e+00 3.42 -2.155652036e+00 -2.155652036e+00 3.44 -2.099268288e+00 -2.099268288e+00 3.46 -2.044027404e+00 -2.044027404e+00 3.48 -1.989904955e+00 -1.989904955e+00 3.50 -1.936873235e+00 -1.936873235e+00 3.52 -1.884901691e+00 -1.884901691e+00 3.54 -1.833957628e+00 -1.833957628e+00 3.56 -1.784007088e+00 -1.784007088e+00 3.58 -1.735015789e+00 -1.735015789e+00 3.60 -1.686950012e+00 -1.686950012e+00 3.62 -1.639777343e+00 -1.639777343e+00 3.64 -1.593467251e+00 -1.593467251e+00 3.66 -1.547991516e+00 -1.547991516e+00 3.68 -1.503324592e+00 -1.503324592e+00 3.70 -1.459444000e+00 -1.459444000e+00 3.72 -1.416330846e+00 -1.416330846e+00 3.74 -1.373970504e+00 -1.373970504e+00 3.76 -1.332353446e+00 -1.332353446e+00 3.78 -1.291476092e+00 -1.291476092e+00 3.80 -1.251341480e+00 -1.251341480e+00 3.82 -1.211959496e+00 -1.211959496e+00 3.84 -1.173346400e+00 -1.173346400e+00 3.86 -1.135523481e+00 -1.135523481e+00 3.88 -1.098514807e+00 -1.098514807e+00 3.90 -1.062344261e+00 -1.062344261e+00 3.92 -1.027032236e+00 -1.027032236e+00 3.94 -9.925925093e-01 -9.925925093e-01 3.96 -9.590298186e-01 -9.590298186e-01 3.98 -9.263385724e-01 -9.263385724e-01 4.00 -8.945028911e-01 -8.945028911e-01 4.02 -8.634979581e-01 -8.634979581e-01 4.04 -8.332924362e-01 -8.332924362e-01 4.06 -8.038515684e-01 -8.038515684e-01 4.08 -7.751405263e-01 -7.751405263e-01 4.10 -7.471275783e-01 -7.471275783e-01 4.12 -7.197867383e-01 -7.197867383e-01 4.14 -6.930995560e-01 -6.930995560e-01 4.16 -6.670559571e-01 -6.670559571e-01 4.18 -6.416540078e-01 -6.416540078e-01 4.20 -6.168986973e-01 -6.168986973e-01 4.22 -5.927999214e-01 -5.927999214e-01 4.24 -5.693699724e-01 -5.693699724e-01 4.26 -5.466209008e-01 -5.466209008e-01 4.28 -5.245621289e-01 -5.245621289e-01 4.30 -5.031986310e-01 -5.031986310e-01 4.32 -4.825298836e-01 -4.825298836e-01 4.34 -4.625496343e-01 -4.625496343e-01 4.36 -4.432463964e-01 -4.432463964e-01 4.38 -4.246044586e-01 -4.246044586e-01 4.40 -4.066051357e-01 -4.066051357e-01 4.42 -3.892279804e-01 -3.892279804e-01 4.44 -3.724517237e-01 -3.724517237e-01 4.46 -3.562547942e-01 -3.562547942e-01 4.48 -3.406153747e-01 -3.406153747e-01 4.50 -3.255110582e-01 -3.255110582e-01 4.52 -3.109182485e-01 -3.109182485e-01 4.54 -2.968115044e-01 -2.968115044e-01 4.56 -2.831630295e-01 -2.831630295e-01 4.58 -2.699424804e-01 -2.699424804e-01 4.60 -2.571172035e-01 -2.571172035e-01 4.62 -2.446529320e-01 -2.446529320e-01 4.64 -2.325149076e-01 -2.325149076e-01 4.66 -2.206693244e-01 -2.206693244e-01 4.68 -2.090849818e-01 -2.090849818e-01 4.70 -1.977349674e-01 -1.977349674e-01 4.72 -1.865982234e-01 -1.865982234e-01 4.74 -1.756610232e-01 -1.756610232e-01 4.76 -1.649181274e-01 -1.649181274e-01 4.78 -1.543719039e-01 -1.543719039e-01 4.80 -1.440335512e-01 -1.440335512e-01 4.82 -1.339224115e-01 -1.339224115e-01 4.84 -1.240647313e-01 -1.240647313e-01 4.86 -1.144920005e-01 -1.144920005e-01 4.88 -1.052389639e-01 -1.052389639e-01 4.90 -9.634145799e-02 -9.634145799e-02 4.92 -8.783424176e-02 -8.783424176e-02 4.94 -7.974899081e-02 -7.974899081e-02 4.96 -7.211259887e-02 -7.211259887e-02 4.98 -6.494589049e-02 -6.494589049e-02 5.00 -5.826279854e-02 -5.826279854e-02 5.02 -5.207000976e-02 -5.207000976e-02 5.04 -4.636703972e-02 -4.636703972e-02 5.06 -4.114666838e-02 -4.114666838e-02 5.08 -3.639565142e-02 -3.639565142e-02 5.10 -3.209561777e-02 -3.209561777e-02 5.12 -2.822406910e-02 -2.822406910e-02 5.14 -2.475540806e-02 -2.475540806e-02 5.16 -2.166193316e-02 -2.166193316e-02 5.18 -1.891475738e-02 -1.891475738e-02 5.20 -1.648462167e-02 -1.648462167e-02 5.22 -1.434258131e-02 -1.434258131e-02 5.24 -1.246037582e-02 -1.246037582e-02 5.26 -1.081099093e-02 -1.081099093e-02 5.28 -9.369555996e-03 -9.369555996e-03 5.30 -8.112857481e-03 -8.112857481e-03 5.32 -7.019480791e-03 -7.019480791e-03 5.34 -6.069885397e-03 -6.069885397e-03 5.36 -5.246404932e-03 -5.246404932e-03 5.38 -4.533192688e-03 -4.533192688e-03 5.40 -3.916129482e-03 -3.916129482e-03 5.42 -3.382707546e-03 -3.382707546e-03 5.44 -2.921901106e-03 -2.921901106e-03 5.46 -2.524031694e-03 -2.524031694e-03 5.48 -2.180634060e-03 -2.180634060e-03 5.50 -1.884326776e-03 -1.884326776e-03 5.52 -1.628690203e-03 -1.628690203e-03 5.54 -1.408153427e-03 -1.408153427e-03 5.56 -1.217890952e-03 -1.217890952e-03 5.58 -1.053729366e-03 -1.053729366e-03 5.60 -9.120637742e-04 -9.120637742e-04 5.62 -7.897835494e-04 -7.897835494e-04 5.64 -6.842067584e-04 -6.842067584e-04 5.66 -5.930225552e-04 -5.930225552e-04 5.68 -5.142407897e-04 -5.142407897e-04 5.70 -4.461480863e-04 -4.461480863e-04 5.72 -3.872696772e-04 -3.872696772e-04 5.74 -3.363363187e-04 -3.363363187e-04 5.76 -2.922556745e-04 -2.922556745e-04 5.78 -2.540876038e-04 -2.540876038e-04 5.80 -2.210228535e-04 -2.210228535e-04 5.82 -1.923647044e-04 -1.923647044e-04 5.84 -1.675131790e-04 -1.675131790e-04 5.86 -1.459514599e-04 -1.459514599e-04 5.88 -1.272342192e-04 -1.272342192e-04 5.90 -1.109775909e-04 -1.109775909e-04 5.92 -9.685056029e-05 -9.685056029e-05 5.94 -8.456756847e-05 -8.456756847e-05 5.96 -7.388216317e-05 -7.388216317e-05 5.98 -6.458154655e-05 -6.458154655e-05 6.00 -5.648189321e-05 -5.648189321e-05