# 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 = AuMgW2 # 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 5.065346222e+02 5.065346222e+02 1.30 4.690347599e+02 4.690347599e+02 1.32 4.343723203e+02 4.343723203e+02 1.34 4.023092920e+02 4.023092920e+02 1.36 3.726313871e+02 3.726313871e+02 1.38 3.451462923e+02 3.451462923e+02 1.40 3.196812696e+02 3.196812696e+02 1.42 2.960798699e+02 2.960798699e+02 1.44 2.741987244e+02 2.741987244e+02 1.46 2.539054823e+02 2.539054823e+02 1.48 2.350780871e+02 2.350780871e+02 1.50 2.176047606e+02 2.176047606e+02 1.52 2.013838611e+02 2.013838611e+02 1.54 1.863231994e+02 1.863231994e+02 1.56 1.723388879e+02 1.723388879e+02 1.58 1.593540330e+02 1.593540330e+02 1.60 1.472975107e+02 1.472975107e+02 1.62 1.361029445e+02 1.361029445e+02 1.64 1.257079399e+02 1.257079399e+02 1.66 1.160536198e+02 1.160536198e+02 1.68 1.070844903e+02 1.070844903e+02 1.70 9.874860409e+01 9.874860409e+01 1.72 9.099790040e+01 9.099790040e+01 1.74 8.378854746e+01 8.378854746e+01 1.76 7.708112207e+01 7.708112207e+01 1.78 7.084050651e+01 7.084050651e+01 1.80 6.503545410e+01 6.503545410e+01 1.82 5.963792897e+01 5.963792897e+01 1.84 5.462328270e+01 5.462328270e+01 1.86 4.996795822e+01 4.996795822e+01 1.88 4.565060064e+01 4.565060064e+01 1.90 4.165968424e+01 4.165968424e+01 1.92 3.797390368e+01 3.797390368e+01 1.94 3.457080248e+01 3.457080248e+01 1.96 3.142926019e+01 3.142926019e+01 1.98 2.852948021e+01 2.852948021e+01 2.00 2.585300424e+01 2.585300424e+01 2.02 2.338266227e+01 2.338266227e+01 2.04 2.110246588e+01 2.110246588e+01 2.06 1.899747117e+01 1.899747117e+01 2.08 1.705365200e+01 1.705365200e+01 2.10 1.525782167e+01 1.525782167e+01 2.12 1.359762853e+01 1.359762853e+01 2.14 1.206161417e+01 1.206161417e+01 2.16 1.063930134e+01 1.063930134e+01 2.18 9.321263669e+00 9.321263669e+00 2.20 8.099142250e+00 8.099142250e+00 2.22 6.965594223e+00 6.965594223e+00 2.24 5.914186031e+00 5.914186031e+00 2.26 4.939254670e+00 4.939254670e+00 2.28 4.035762979e+00 4.035762979e+00 2.30 3.199166504e+00 3.199166504e+00 2.32 2.425303095e+00 2.425303095e+00 2.34 1.710310607e+00 1.710310607e+00 2.36 1.050566733e+00 1.050566733e+00 2.38 4.426509708e-01 4.426509708e-01 2.40 -1.166783510e-01 -1.166783510e-01 2.42 -6.304965171e-01 -6.304965171e-01 2.44 -1.101569504e+00 -1.101569504e+00 2.46 -1.532687833e+00 -1.532687833e+00 2.48 -1.926639509e+00 -1.926639509e+00 2.50 -2.286023031e+00 -2.286023031e+00 2.52 -2.613252047e+00 -2.613252047e+00 2.54 -2.910559647e+00 -2.910559647e+00 2.56 -3.180004203e+00 -3.180004203e+00 2.58 -3.423462055e+00 -3.423462055e+00 2.60 -3.642271335e+00 -3.642271335e+00 2.62 -3.837310330e+00 -3.837310330e+00 2.64 -4.009453817e+00 -4.009453817e+00 2.66 -4.159582005e+00 -4.159582005e+00 2.68 -4.288572624e+00 -4.288572624e+00 2.70 -4.397296148e+00 -4.397296148e+00 2.72 -4.486614967e+00 -4.486614967e+00 2.74 -4.557384930e+00 -4.557384930e+00 2.76 -4.610457832e+00 -4.610457832e+00 2.78 -4.646683969e+00 -4.646683969e+00 2.80 -4.666915806e+00 -4.666915806e+00 2.82 -4.672011861e+00 -4.672011861e+00 2.84 -4.662844529e+00 -4.662844529e+00 2.86 -4.640310219e+00 -4.640310219e+00 2.88 -4.605342198e+00 -4.605342198e+00 2.90 -4.558924280e+00 -4.558924280e+00 2.92 -4.502102664e+00 -4.502102664e+00 2.94 -4.436016338e+00 -4.436016338e+00 2.96 -4.361905956e+00 -4.361905956e+00 2.98 -4.280934970e+00 -4.280934970e+00 3.00 -4.194299331e+00 -4.194299331e+00 3.02 -4.103203729e+00 -4.103203729e+00 3.04 -4.008817306e+00 -4.008817306e+00 3.06 -3.912228237e+00 -3.912228237e+00 3.08 -3.814401569e+00 -3.814401569e+00 3.10 -3.716144903e+00 -3.716144903e+00 3.12 -3.618081923e+00 -3.618081923e+00 3.14 -3.520657249e+00 -3.520657249e+00 3.16 -3.424145598e+00 -3.424145598e+00 3.18 -3.328672612e+00 -3.328672612e+00 3.20 -3.234241406e+00 -3.234241406e+00 3.22 -3.140763343e+00 -3.140763343e+00 3.24 -3.048089500e+00 -3.048089500e+00 3.26 -2.956040512e+00 -2.956040512e+00 3.28 -2.864433296e+00 -2.864433296e+00 3.30 -2.773103923e+00 -2.773103923e+00 3.32 -2.681926382e+00 -2.681926382e+00 3.34 -2.590827326e+00 -2.590827326e+00 3.36 -2.499796912e+00 -2.499796912e+00 3.38 -2.408895736e+00 -2.408895736e+00 3.40 -2.318293455e+00 -2.318293455e+00 3.42 -2.228162406e+00 -2.228162406e+00 3.44 -2.138653567e+00 -2.138653567e+00 3.46 -2.050005199e+00 -2.050005199e+00 3.48 -1.962450488e+00 -1.962450488e+00 3.50 -1.876017104e+00 -1.876017104e+00 3.52 -1.790812267e+00 -1.790812267e+00 3.54 -1.707074222e+00 -1.707074222e+00 3.56 -1.625131155e+00 -1.625131155e+00 3.58 -1.545357488e+00 -1.545357488e+00 3.60 -1.468132303e+00 -1.468132303e+00 3.62 -1.393803984e+00 -1.393803984e+00 3.64 -1.322663742e+00 -1.322663742e+00 3.66 -1.254929102e+00 -1.254929102e+00 3.68 -1.190736937e+00 -1.190736937e+00 3.70 -1.130144575e+00 -1.130144575e+00 3.72 -1.073136917e+00 -1.073136917e+00 3.74 -1.019637369e+00 -1.019637369e+00 3.76 -9.695205986e-01 -9.695205986e-01 3.78 -9.226255223e-01 -9.226255223e-01 3.80 -8.787673775e-01 -8.787673775e-01 3.82 -8.377481852e-01 -8.377481852e-01 3.84 -7.993652646e-01 -7.993652646e-01 3.86 -7.634177441e-01 -7.634177441e-01 3.88 -7.297112089e-01 -7.297112089e-01 3.90 -6.980607487e-01 -6.980607487e-01 3.92 -6.682926245e-01 -6.682926245e-01 3.94 -6.402455425e-01 -6.402455425e-01 3.96 -6.137701467e-01 -6.137701467e-01 3.98 -5.887293180e-01 -5.887293180e-01 4.00 -5.649976257e-01 -5.649976257e-01 4.02 -5.424608081e-01 -5.424608081e-01 4.04 -5.210152142e-01 -5.210152142e-01 4.06 -5.005672412e-01 -5.005672412e-01 4.08 -4.810327870e-01 -4.810327870e-01 4.10 -4.623363432e-01 -4.623363432e-01 4.12 -4.444121492e-01 -4.444121492e-01 4.14 -4.272011660e-01 -4.272011660e-01 4.16 -4.106525022e-01 -4.106525022e-01 4.18 -3.947225423e-01 -3.947225423e-01 4.20 -3.793745591e-01 -3.793745591e-01 4.22 -3.645782823e-01 -3.645782823e-01 4.24 -3.503093865e-01 -3.503093865e-01 4.26 -3.365488587e-01 -3.365488587e-01 4.28 -3.232822230e-01 -3.232822230e-01 4.30 -3.104986177e-01 -3.104986177e-01 4.32 -2.981897507e-01 -2.981897507e-01 4.34 -2.863487875e-01 -2.863487875e-01 4.36 -2.749692483e-01 -2.749692483e-01 4.38 -2.640440062e-01 -2.640440062e-01 4.40 -2.535644589e-01 -2.535644589e-01 4.42 -2.435199385e-01 -2.435199385e-01 4.44 -2.338974184e-01 -2.338974184e-01 4.46 -2.246814733e-01 -2.246814733e-01 4.48 -2.158541630e-01 -2.158541630e-01 4.50 -2.073952458e-01 -2.073952458e-01 4.52 -1.992845957e-01 -1.992845957e-01 4.54 -1.915009528e-01 -1.915009528e-01 4.56 -1.840223895e-01 -1.840223895e-01 4.58 -1.768268720e-01 -1.768268720e-01 4.60 -1.698927204e-01 -1.698927204e-01 4.62 -1.631989691e-01 -1.631989691e-01 4.64 -1.567256412e-01 -1.567256412e-01 4.66 -1.504539553e-01 -1.504539553e-01 4.68 -1.443664867e-01 -1.443664867e-01 4.70 -1.384472986e-01 -1.384472986e-01 4.72 -1.326820620e-01 -1.326820620e-01 4.74 -1.270581738e-01 -1.270581738e-01 4.76 -1.215648783e-01 -1.215648783e-01 4.78 -1.161933941e-01 -1.161933941e-01 4.80 -1.109368326e-01 -1.109368326e-01 4.82 -1.057911733e-01 -1.057911733e-01 4.84 -1.007539872e-01 -1.007539872e-01 4.86 -9.582541032e-02 -9.582541032e-02 4.88 -9.100790316e-02 -9.100790316e-02 4.90 -8.630610366e-02 -8.630610366e-02 4.92 -8.172659548e-02 -8.172659548e-02 4.94 -7.727756881e-02 -7.727756881e-02 4.96 -7.296837411e-02 -7.296837411e-02 4.98 -6.880898672e-02 -6.880898672e-02 5.00 -6.480941304e-02 -6.480941304e-02 5.02 -6.097907927e-02 -6.097907927e-02 5.04 -5.732624976e-02 -5.732624976e-02 5.06 -5.385752089e-02 -5.385752089e-02 5.08 -5.057742997e-02 -5.057742997e-02 5.10 -4.748820583e-02 -4.748820583e-02 5.12 -4.458967235e-02 -4.458967235e-02 5.14 -4.187930002e-02 -4.187930002e-02 5.16 -3.935238675e-02 -3.935238675e-02 5.18 -3.700233930e-02 -3.700233930e-02 5.20 -3.482102072e-02 -3.482102072e-02 5.22 -3.279913108e-02 -3.279913108e-02 5.24 -3.092659039e-02 -3.092659039e-02 5.26 -2.919289914e-02 -2.919289914e-02 5.28 -2.758745924e-02 -2.758745924e-02 5.30 -2.609984504e-02 -2.609984504e-02 5.32 -2.472001983e-02 -2.472001983e-02 5.34 -2.343849804e-02 -2.343849804e-02 5.36 -2.224645661e-02 -2.224645661e-02 5.38 -2.113580076e-02 -2.113580076e-02 5.40 -2.009919043e-02 -2.009919043e-02 5.42 -1.913001305e-02 -1.913001305e-02 5.44 -1.822234500e-02 -1.822234500e-02 5.46 -1.737099531e-02 -1.737099531e-02 5.48 -1.657137061e-02 -1.657137061e-02 5.50 -1.581939916e-02 -1.581939916e-02 5.52 -1.511145673e-02 -1.511145673e-02 5.54 -1.444429449e-02 -1.444429449e-02 5.56 -1.381497278e-02 -1.381497278e-02 5.58 -1.322080358e-02 -1.322080358e-02 5.60 -1.265930332e-02 -1.265930332e-02 5.62 -1.212815625e-02 -1.212815625e-02 5.64 -1.162518790e-02 -1.162518790e-02 5.66 -1.114834713e-02 -1.114834713e-02 5.68 -1.069569494e-02 -1.069569494e-02 5.70 -1.026539812e-02 -1.026539812e-02 5.72 -9.855725873e-03 -9.855725873e-03 5.74 -9.465047967e-03 -9.465047967e-03 5.76 -9.091833198e-03 -9.091833198e-03 5.78 -8.734647546e-03 -8.734647546e-03 5.80 -8.392151613e-03 -8.392151613e-03 5.82 -8.063097281e-03 -8.063097281e-03 5.84 -7.746323687e-03 -7.746323687e-03 5.86 -7.440752780e-03 -7.440752780e-03 5.88 -7.145384743e-03 -7.145384743e-03 5.90 -6.859293588e-03 -6.859293588e-03 5.92 -6.581623252e-03 -6.581623252e-03 5.94 -6.311584417e-03 -6.311584417e-03 5.96 -6.048452308e-03 -6.048452308e-03 5.98 -5.791565604e-03 -5.791565604e-03 6.00 -5.540326586e-03 -5.540326586e-03