# 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 = Ag2MgMo # 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 3.187300648e+02 3.187300648e+02 1.30 2.950691961e+02 2.950691961e+02 1.32 2.732027060e+02 2.732027060e+02 1.34 2.529836859e+02 2.529836859e+02 1.36 2.342766805e+02 2.342766805e+02 1.38 2.169577280e+02 2.169577280e+02 1.40 2.009142387e+02 2.009142387e+02 1.42 1.860442977e+02 1.860442977e+02 1.44 1.722554851e+02 1.722554851e+02 1.46 1.594636183e+02 1.594636183e+02 1.48 1.475918810e+02 1.475918810e+02 1.50 1.365704276e+02 1.365704276e+02 1.52 1.263360664e+02 1.263360664e+02 1.54 1.168316424e+02 1.168316424e+02 1.56 1.080051726e+02 1.080051726e+02 1.58 9.980899641e+01 9.980899641e+01 1.60 9.219905837e+01 9.219905837e+01 1.62 8.513430048e+01 8.513430048e+01 1.64 7.857629700e+01 7.857629700e+01 1.66 7.249080476e+01 7.249080476e+01 1.68 6.684399698e+01 6.684399698e+01 1.70 6.160475826e+01 6.160475826e+01 1.72 5.674458045e+01 5.674458045e+01 1.74 5.223530040e+01 5.223530040e+01 1.76 4.805095007e+01 4.805095007e+01 1.78 4.416762767e+01 4.416762767e+01 1.80 4.056337416e+01 4.056337416e+01 1.82 3.721807953e+01 3.721807953e+01 1.84 3.411338487e+01 3.411338487e+01 1.86 3.123255305e+01 3.123255305e+01 1.88 2.856028786e+01 2.856028786e+01 1.90 2.608251506e+01 2.608251506e+01 1.92 2.378615218e+01 2.378615218e+01 1.94 2.165890771e+01 2.165890771e+01 1.96 1.968914399e+01 1.968914399e+01 1.98 1.786581674e+01 1.786581674e+01 2.00 1.617847285e+01 1.617847285e+01 2.02 1.461726981e+01 1.461726981e+01 2.04 1.317298342e+01 1.317298342e+01 2.06 1.183698546e+01 1.183698546e+01 2.08 1.060119676e+01 1.060119676e+01 2.10 9.458039863e+00 9.458039863e+00 2.12 8.400414319e+00 8.400414319e+00 2.14 7.421702199e+00 7.421702199e+00 2.16 6.515793423e+00 6.515793423e+00 2.18 5.677109422e+00 5.677109422e+00 2.20 4.900609422e+00 4.900609422e+00 2.22 4.181769527e+00 4.181769527e+00 2.24 3.516539206e+00 3.516539206e+00 2.26 2.901283205e+00 2.901283205e+00 2.28 2.332717767e+00 2.332717767e+00 2.30 1.807851602e+00 1.807851602e+00 2.32 1.323931098e+00 1.323931098e+00 2.34 8.784695980e-01 8.784695980e-01 2.36 4.691337681e-01 4.691337681e-01 2.38 9.350084155e-02 9.350084155e-02 2.40 -2.507034552e-01 -2.507034552e-01 2.42 -5.656184057e-01 -5.656184057e-01 2.44 -8.532629947e-01 -8.532629947e-01 2.46 -1.115546291e+00 -1.115546291e+00 2.48 -1.354274159e+00 -1.354274159e+00 2.50 -1.571087898e+00 -1.571087898e+00 2.52 -1.767367410e+00 -1.767367410e+00 2.54 -1.944424038e+00 -1.944424038e+00 2.56 -2.103535757e+00 -2.103535757e+00 2.58 -2.245944845e+00 -2.245944845e+00 2.60 -2.372854628e+00 -2.372854628e+00 2.62 -2.485422050e+00 -2.485422050e+00 2.64 -2.584745661e+00 -2.584745661e+00 2.66 -2.671849201e+00 -2.671849201e+00 2.68 -2.747668545e+00 -2.747668545e+00 2.70 -2.813044677e+00 -2.813044677e+00 2.72 -2.868725931e+00 -2.868725931e+00 2.74 -2.915378102e+00 -2.915378102e+00 2.76 -2.953598861e+00 -2.953598861e+00 2.78 -2.983932614e+00 -2.983932614e+00 2.80 -3.006883941e+00 -3.006883941e+00 2.82 -3.022926768e+00 -3.022926768e+00 2.84 -3.032512098e+00 -3.032512098e+00 2.86 -3.036079626e+00 -3.036079626e+00 2.88 -3.034227236e+00 -3.034227236e+00 2.90 -3.027287170e+00 -3.027287170e+00 2.92 -3.015476219e+00 -3.015476219e+00 2.94 -2.999036161e+00 -2.999036161e+00 2.96 -2.978228906e+00 -2.978228906e+00 2.98 -2.953331685e+00 -2.953331685e+00 3.00 -2.924632087e+00 -2.924632087e+00 3.02 -2.892422764e+00 -2.892422764e+00 3.04 -2.857001203e+00 -2.857001203e+00 3.06 -2.818672711e+00 -2.818672711e+00 3.08 -2.777726198e+00 -2.777726198e+00 3.10 -2.734447455e+00 -2.734447455e+00 3.12 -2.689067308e+00 -2.689067308e+00 3.14 -2.641738349e+00 -2.641738349e+00 3.16 -2.592597321e+00 -2.592597321e+00 3.18 -2.541763097e+00 -2.541763097e+00 3.20 -2.489337018e+00 -2.489337018e+00 3.22 -2.435394512e+00 -2.435394512e+00 3.24 -2.379961600e+00 -2.379961600e+00 3.26 -2.323075873e+00 -2.323075873e+00 3.28 -2.264803825e+00 -2.264803825e+00 3.30 -2.205242034e+00 -2.205242034e+00 3.32 -2.144519180e+00 -2.144519180e+00 3.34 -2.082797770e+00 -2.082797770e+00 3.36 -2.020274768e+00 -2.020274768e+00 3.38 -1.957180507e+00 -1.957180507e+00 3.40 -1.893775430e+00 -1.893775430e+00 3.42 -1.830344694e+00 -1.830344694e+00 3.44 -1.767189994e+00 -1.767189994e+00 3.46 -1.704619905e+00 -1.704619905e+00 3.48 -1.642938699e+00 -1.642938699e+00 3.50 -1.582434884e+00 -1.582434884e+00 3.52 -1.523370493e+00 -1.523370493e+00 3.54 -1.465972114e+00 -1.465972114e+00 3.56 -1.410424423e+00 -1.410424423e+00 3.58 -1.356866634e+00 -1.356866634e+00 3.60 -1.305391889e+00 -1.305391889e+00 3.62 -1.256049293e+00 -1.256049293e+00 3.64 -1.208848030e+00 -1.208848030e+00 3.66 -1.163762927e+00 -1.163762927e+00 3.68 -1.120740762e+00 -1.120740762e+00 3.70 -1.079706770e+00 -1.079706770e+00 3.72 -1.040570838e+00 -1.040570838e+00 3.74 -1.003233111e+00 -1.003233111e+00 3.76 -9.675887912e-01 -9.675887912e-01 3.78 -9.335320621e-01 -9.335320621e-01 3.80 -9.009591360e-01 -9.009591360e-01 3.82 -8.697704637e-01 -8.697704637e-01 3.84 -8.398721907e-01 -8.398721907e-01 3.86 -8.111769577e-01 -8.111769577e-01 3.88 -7.836041577e-01 -7.836041577e-01 3.90 -7.570797803e-01 -7.570797803e-01 3.92 -7.315358489e-01 -7.315358489e-01 3.94 -7.069103693e-01 -7.069103693e-01 3.96 -6.831458647e-01 -6.831458647e-01 3.98 -6.601894038e-01 -6.601894038e-01 4.00 -6.379919676e-01 -6.379919676e-01 4.02 -6.165080933e-01 -6.165080933e-01 4.04 -5.956956310e-01 -5.956956310e-01 4.06 -5.755156017e-01 -5.755156017e-01 4.08 -5.559321405e-01 -5.559321405e-01 4.10 -5.369122174e-01 -5.369122174e-01 4.12 -5.184269678e-01 -5.184269678e-01 4.14 -5.004498587e-01 -5.004498587e-01 4.16 -4.829582633e-01 -4.829582633e-01 4.18 -4.659332865e-01 -4.659332865e-01 4.20 -4.493599450e-01 -4.493599450e-01 4.22 -4.332272826e-01 -4.332272826e-01 4.24 -4.175283678e-01 -4.175283678e-01 4.26 -4.022601172e-01 -4.022601172e-01 4.28 -3.874228997e-01 -3.874228997e-01 4.30 -3.730198975e-01 -3.730198975e-01 4.32 -3.590562293e-01 -3.590562293e-01 4.34 -3.455378837e-01 -3.455378837e-01 4.36 -3.324705430e-01 -3.324705430e-01 4.38 -3.198584086e-01 -3.198584086e-01 4.40 -3.077031450e-01 -3.077031450e-01 4.42 -2.960030506e-01 -2.960030506e-01 4.44 -2.847525286e-01 -2.847525286e-01 4.46 -2.739418898e-01 -2.739418898e-01 4.48 -2.635574734e-01 -2.635574734e-01 4.50 -2.535820332e-01 -2.535820332e-01 4.52 -2.439953129e-01 -2.439953129e-01 4.54 -2.347747291e-01 -2.347747291e-01 4.56 -2.258960834e-01 -2.258960834e-01 4.58 -2.173342455e-01 -2.173342455e-01 4.60 -2.090637675e-01 -2.090637675e-01 4.62 -2.010594098e-01 -2.010594098e-01 4.64 -1.932965777e-01 -1.932965777e-01 4.66 -1.857516782e-01 -1.857516782e-01 4.68 -1.784024151e-01 -1.784024151e-01 4.70 -1.712280420e-01 -1.712280420e-01 4.72 -1.642095934e-01 -1.642095934e-01 4.74 -1.573301101e-01 -1.573301101e-01 4.76 -1.505748705e-01 -1.505748705e-01 4.78 -1.439316310e-01 -1.439316310e-01 4.80 -1.373906797e-01 -1.373906797e-01 4.82 -1.309458977e-01 -1.309458977e-01 4.84 -1.245937006e-01 -1.245937006e-01 4.86 -1.183341115e-01 -1.183341115e-01 4.88 -1.121706208e-01 -1.121706208e-01 4.90 -1.061101696e-01 -1.061101696e-01 4.92 -1.001629898e-01 -1.001629898e-01 4.94 -9.434227593e-02 -9.434227593e-02 4.96 -8.866367770e-02 -8.866367770e-02 4.98 -8.314461984e-02 -8.314461984e-02 5.00 -7.780347679e-02 -7.780347679e-02 5.02 -7.265865000e-02 -7.265865000e-02 5.04 -6.772761203e-02 -6.772761203e-02 5.06 -6.302599041e-02 -6.302599041e-02 5.08 -5.856677186e-02 -5.856677186e-02 5.10 -5.435967253e-02 -5.435967253e-02 5.12 -5.041072219e-02 -5.041072219e-02 5.14 -4.672210813e-02 -4.672210813e-02 5.16 -4.329223689e-02 -4.329223689e-02 5.18 -4.011600303e-02 -4.011600303e-02 5.20 -3.718489226e-02 -3.718489226e-02 5.22 -3.448766837e-02 -3.448766837e-02 5.24 -3.201219413e-02 -3.201219413e-02 5.26 -2.974478443e-02 -2.974478443e-02 5.28 -2.767066266e-02 -2.767066266e-02 5.30 -2.577476070e-02 -2.577476070e-02 5.32 -2.404218175e-02 -2.404218175e-02 5.34 -2.245843960e-02 -2.245843960e-02 5.36 -2.100971543e-02 -2.100971543e-02 5.38 -1.968311359e-02 -1.968311359e-02 5.40 -1.846678485e-02 -1.846678485e-02 5.42 -1.734995433e-02 -1.734995433e-02 5.44 -1.632292099e-02 -1.632292099e-02 5.46 -1.537701543e-02 -1.537701543e-02 5.48 -1.450452769e-02 -1.450452769e-02 5.50 -1.369861568e-02 -1.369861568e-02 5.52 -1.295320399e-02 -1.295320399e-02 5.54 -1.226288104e-02 -1.226288104e-02 5.56 -1.162280136e-02 -1.162280136e-02 5.58 -1.102859768e-02 -1.102859768e-02 5.60 -1.047630581e-02 -1.047630581e-02 5.62 -9.962303333e-03 -9.962303333e-03 5.64 -9.483261834e-03 -9.483261834e-03 5.66 -9.036111044e-03 -9.036111044e-03 5.68 -8.618012677e-03 -8.618012677e-03 5.70 -8.226341547e-03 -8.226341547e-03 5.72 -7.858671584e-03 -7.858671584e-03 5.74 -7.512764784e-03 -7.512764784e-03 5.76 -7.186561575e-03 -7.186561575e-03 5.78 -6.878171603e-03 -6.878171603e-03 5.80 -6.585864351e-03 -6.585864351e-03 5.82 -6.308059408e-03 -6.308059408e-03 5.84 -6.043316406e-03 -6.043316406e-03 5.86 -5.790324831e-03 -5.790324831e-03 5.88 -5.547893986e-03 -5.547893986e-03 5.90 -5.314943409e-03 -5.314943409e-03 5.92 -5.090494012e-03 -5.090494012e-03 5.94 -4.873660207e-03 -4.873660207e-03 5.96 -4.663643192e-03 -4.663643192e-03 5.98 -4.459725545e-03 -4.459725545e-03 6.00 -4.261267194e-03 -4.261267194e-03