# 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 = Mg2PtTi # 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 3.764494888e+02 3.764494888e+02 1.30 3.497643414e+02 3.497643414e+02 1.32 3.249888978e+02 3.249888978e+02 1.34 3.019758303e+02 3.019758303e+02 1.36 2.805953648e+02 2.805953648e+02 1.38 2.607280787e+02 2.607280787e+02 1.40 2.422594137e+02 2.422594137e+02 1.42 2.250785889e+02 2.250785889e+02 1.44 2.090809360e+02 2.090809360e+02 1.46 1.941714968e+02 1.941714968e+02 1.48 1.802673751e+02 1.802673751e+02 1.50 1.672971738e+02 1.672971738e+02 1.52 1.551979640e+02 1.551979640e+02 1.54 1.439116315e+02 1.439116315e+02 1.56 1.333823507e+02 1.333823507e+02 1.58 1.235557560e+02 1.235557560e+02 1.60 1.143793221e+02 1.143793221e+02 1.62 1.058032220e+02 1.058032220e+02 1.64 9.778138346e+01 9.778138346e+01 1.66 9.027255897e+01 9.027255897e+01 1.68 8.324100083e+01 8.324100083e+01 1.70 7.665670674e+01 7.665670674e+01 1.72 7.053583194e+01 7.053583194e+01 1.74 6.487730996e+01 6.487730996e+01 1.76 5.964833823e+01 5.964833823e+01 1.78 5.481725688e+01 5.481725688e+01 1.80 5.035355603e+01 5.035355603e+01 1.82 4.622844165e+01 4.622844165e+01 1.84 4.241524493e+01 4.241524493e+01 1.86 3.888947304e+01 3.888947304e+01 1.88 3.562857911e+01 3.562857911e+01 1.90 3.261166561e+01 3.261166561e+01 1.92 2.981929611e+01 2.981929611e+01 1.94 2.723347447e+01 2.723347447e+01 1.96 2.483775628e+01 2.483775628e+01 1.98 2.261736238e+01 2.261736238e+01 2.00 2.055916943e+01 2.055916943e+01 2.02 1.865152870e+01 1.865152870e+01 2.04 1.688398070e+01 1.688398070e+01 2.06 1.524697477e+01 1.524697477e+01 2.08 1.373166291e+01 1.373166291e+01 2.10 1.232977673e+01 1.232977673e+01 2.12 1.103355591e+01 1.103355591e+01 2.14 9.835706550e+00 9.835706550e+00 2.16 8.729379230e+00 8.729379230e+00 2.18 7.708159396e+00 7.708159396e+00 2.20 6.766062774e+00 6.766062774e+00 2.22 5.897519606e+00 5.897519606e+00 2.24 5.097348758e+00 5.097348758e+00 2.26 4.360726586e+00 4.360726586e+00 2.28 3.683158445e+00 3.683158445e+00 2.30 3.060465064e+00 3.060465064e+00 2.32 2.488771783e+00 2.488771783e+00 2.34 1.964504327e+00 1.964504327e+00 2.36 1.484371566e+00 1.484371566e+00 2.38 1.045335662e+00 1.045335662e+00 2.40 6.445694522e-01 6.445694522e-01 2.42 2.793007972e-01 2.793007972e-01 2.44 -5.421605782e-02 -5.421605782e-02 2.46 -3.584168913e-01 -3.584168913e-01 2.48 -6.353001015e-01 -6.353001015e-01 2.50 -8.868687598e-01 -8.868687598e-01 2.52 -1.115114183e+00 -1.115114183e+00 2.54 -1.321995114e+00 -1.321995114e+00 2.56 -1.509411443e+00 -1.509411443e+00 2.58 -1.679024101e+00 -1.679024101e+00 2.60 -1.832304624e+00 -1.832304624e+00 2.62 -1.970526613e+00 -1.970526613e+00 2.64 -2.094772088e+00 -2.094772088e+00 2.66 -2.205956951e+00 -2.205956951e+00 2.68 -2.304870824e+00 -2.304870824e+00 2.70 -2.392213283e+00 -2.392213283e+00 2.72 -2.468582369e+00 -2.468582369e+00 2.74 -2.534478142e+00 -2.534478142e+00 2.76 -2.590387050e+00 -2.590387050e+00 2.78 -2.636790412e+00 -2.636790412e+00 2.80 -2.674165314e+00 -2.674165314e+00 2.82 -2.702984021e+00 -2.702984021e+00 2.84 -2.723719312e+00 -2.723719312e+00 2.86 -2.736851510e+00 -2.736851510e+00 2.88 -2.742878305e+00 -2.742878305e+00 2.90 -2.742325085e+00 -2.742325085e+00 2.92 -2.735752990e+00 -2.735752990e+00 2.94 -2.723761707e+00 -2.723761707e+00 2.96 -2.706984479e+00 -2.706984479e+00 2.98 -2.686074142e+00 -2.686074142e+00 3.00 -2.661681012e+00 -2.661681012e+00 3.02 -2.634425732e+00 -2.634425732e+00 3.04 -2.604871674e+00 -2.604871674e+00 3.06 -2.573504215e+00 -2.573504215e+00 3.08 -2.540716105e+00 -2.540716105e+00 3.10 -2.506807579e+00 -2.506807579e+00 3.12 -2.471994156e+00 -2.471994156e+00 3.14 -2.436424047e+00 -2.436424047e+00 3.16 -2.400193393e+00 -2.400193393e+00 3.18 -2.363371115e+00 -2.363371115e+00 3.20 -2.326064082e+00 -2.326064082e+00 3.22 -2.288391071e+00 -2.288391071e+00 3.24 -2.250448919e+00 -2.250448919e+00 3.26 -2.212321852e+00 -2.212321852e+00 3.28 -2.174087424e+00 -2.174087424e+00 3.30 -2.135819258e+00 -2.135819258e+00 3.32 -2.097587522e+00 -2.097587522e+00 3.34 -2.059458103e+00 -2.059458103e+00 3.36 -2.021491368e+00 -2.021491368e+00 3.38 -1.983741289e+00 -1.983741289e+00 3.40 -1.946255325e+00 -1.946255325e+00 3.42 -1.909075689e+00 -1.909075689e+00 3.44 -1.872248786e+00 -1.872248786e+00 3.46 -1.835833354e+00 -1.835833354e+00 3.48 -1.799845902e+00 -1.799845902e+00 3.50 -1.764305177e+00 -1.764305177e+00 3.52 -1.729236251e+00 -1.729236251e+00 3.54 -1.694669425e+00 -1.694669425e+00 3.56 -1.660638034e+00 -1.660638034e+00 3.58 -1.627175364e+00 -1.627175364e+00 3.60 -1.594311205e+00 -1.594311205e+00 3.62 -1.562068664e+00 -1.562068664e+00 3.64 -1.530457361e+00 -1.530457361e+00 3.66 -1.499449924e+00 -1.499449924e+00 3.68 -1.469002903e+00 -1.469002903e+00 3.70 -1.439071512e+00 -1.439071512e+00 3.72 -1.409610520e+00 -1.409610520e+00 3.74 -1.380575627e+00 -1.380575627e+00 3.76 -1.351924807e+00 -1.351924807e+00 3.78 -1.323619417e+00 -1.323619417e+00 3.80 -1.295624949e+00 -1.295624949e+00 3.82 -1.267911403e+00 -1.267911403e+00 3.84 -1.240453298e+00 -1.240453298e+00 3.86 -1.213229373e+00 -1.213229373e+00 3.88 -1.186222050e+00 -1.186222050e+00 3.90 -1.159416766e+00 -1.159416766e+00 3.92 -1.132801157e+00 -1.132801157e+00 3.94 -1.106365077e+00 -1.106365077e+00 3.96 -1.080099354e+00 -1.080099354e+00 3.98 -1.053996453e+00 -1.053996453e+00 4.00 -1.028050691e+00 -1.028050691e+00 4.02 -1.002258980e+00 -1.002258980e+00 4.04 -9.766218815e-01 -9.766218815e-01 4.06 -9.511448425e-01 -9.511448425e-01 4.08 -9.258394678e-01 -9.258394678e-01 4.10 -9.007241427e-01 -9.007241427e-01 4.12 -8.758268931e-01 -8.758268931e-01 4.14 -8.511822692e-01 -8.511822692e-01 4.16 -8.268331598e-01 -8.268331598e-01 4.18 -8.028288033e-01 -8.028288033e-01 4.20 -7.792226084e-01 -7.792226084e-01 4.22 -7.560693018e-01 -7.560693018e-01 4.24 -7.334216743e-01 -7.334216743e-01 4.26 -7.113272858e-01 -7.113272858e-01 4.28 -6.898255117e-01 -6.898255117e-01 4.30 -6.689452633e-01 -6.689452633e-01 4.32 -6.487036021e-01 -6.487036021e-01 4.34 -6.291053173e-01 -6.291053173e-01 4.36 -6.101433965e-01 -6.101433965e-01 4.38 -5.918002068e-01 -5.918002068e-01 4.40 -5.740491439e-01 -5.740491439e-01 4.42 -5.568565055e-01 -5.568565055e-01 4.44 -5.401833763e-01 -5.401833763e-01 4.46 -5.239873696e-01 -5.239873696e-01 4.48 -5.082241405e-01 -5.082241405e-01 4.50 -4.928486366e-01 -4.928486366e-01 4.52 -4.778161046e-01 -4.778161046e-01 4.54 -4.630828960e-01 -4.630828960e-01 4.56 -4.486071343e-01 -4.486071343e-01 4.58 -4.343493080e-01 -4.343493080e-01 4.60 -4.202728499e-01 -4.202728499e-01 4.62 -4.063447511e-01 -4.063447511e-01 4.64 -3.925362404e-01 -3.925362404e-01 4.66 -3.788235402e-01 -3.788235402e-01 4.68 -3.651886851e-01 -3.651886851e-01 4.70 -3.516203617e-01 -3.516203617e-01 4.72 -3.381147051e-01 -3.381147051e-01 4.74 -3.246759622e-01 -3.246759622e-01 4.76 -3.113169167e-01 -3.113169167e-01 4.78 -2.980589684e-01 -2.980589684e-01 4.80 -2.849313803e-01 -2.849313803e-01 4.82 -2.719720398e-01 -2.719720398e-01 4.84 -2.592235163e-01 -2.592235163e-01 4.86 -2.467329874e-01 -2.467329874e-01 4.88 -2.345495454e-01 -2.345495454e-01 4.90 -2.227217805e-01 -2.227217805e-01 4.92 -2.112953706e-01 -2.112953706e-01 4.94 -2.003108862e-01 -2.003108862e-01 4.96 -1.898019901e-01 -1.898019901e-01 4.98 -1.797941635e-01 -1.797941635e-01 5.00 -1.703040207e-01 -1.703040207e-01 5.02 -1.613392065e-01 -1.613392065e-01 5.04 -1.528988101e-01 -1.528988101e-01 5.06 -1.449741886e-01 -1.449741886e-01 5.08 -1.375500728e-01 -1.375500728e-01 5.10 -1.306058275e-01 -1.306058275e-01 5.12 -1.241167529e-01 -1.241167529e-01 5.14 -1.180553356e-01 -1.180553356e-01 5.16 -1.123923862e-01 -1.123923862e-01 5.18 -1.070980229e-01 -1.070980229e-01 5.20 -1.021424847e-01 -1.021424847e-01 5.22 -9.749677269e-02 -9.749677269e-02 5.24 -9.313313011e-02 -9.313313011e-02 5.26 -8.902537989e-02 -8.902537989e-02 5.28 -8.514914033e-02 -8.514914033e-02 5.30 -8.148194157e-02 -8.148194157e-02 5.32 -7.800326329e-02 -7.800326329e-02 5.34 -7.469451197e-02 -7.469451197e-02 5.36 -7.153895302e-02 -7.153895302e-02 5.38 -6.852160963e-02 -6.852160963e-02 5.40 -6.562913822e-02 -6.562913822e-02 5.42 -6.284969078e-02 -6.284969078e-02 5.44 -6.017276661e-02 -6.017276661e-02 5.46 -5.758906323e-02 -5.758906323e-02 5.48 -5.509033310e-02 -5.509033310e-02 5.50 -5.266925294e-02 -5.266925294e-02 5.52 -5.031931307e-02 -5.031931307e-02 5.54 -4.803473306e-02 -4.803473306e-02 5.56 -4.581040871e-02 -4.581040871e-02 5.58 -4.364189510e-02 -4.364189510e-02 5.60 -4.152541098e-02 -4.152541098e-02 5.62 -3.945788011e-02 -3.945788011e-02 5.64 -3.743698946e-02 -3.743698946e-02 5.66 -3.546125180e-02 -3.546125180e-02 5.68 -3.353006056e-02 -3.353006056e-02 5.70 -3.164372235e-02 -3.164372235e-02 5.72 -2.980345377e-02 -2.980345377e-02 5.74 -2.801133143e-02 -2.801133143e-02 5.76 -2.627021329e-02 -2.627021329e-02 5.78 -2.458332639e-02 -2.458332639e-02 5.80 -2.295382463e-02 -2.295382463e-02 5.82 -2.138598569e-02 -2.138598569e-02 5.84 -1.988401733e-02 -1.988401733e-02 5.86 -1.845171303e-02 -1.845171303e-02 5.88 -1.709221967e-02 -1.709221967e-02 5.90 -1.580784981e-02 -1.580784981e-02 5.92 -1.459995253e-02 -1.459995253e-02 5.94 -1.346884996e-02 -1.346884996e-02 5.96 -1.241383945e-02 -1.241383945e-02 5.98 -1.143325516e-02 -1.143325516e-02 6.00 -1.052457748e-02 -1.052457748e-02