# 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 = Au2MoW # 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 4.096734100e+02 4.096734100e+02 1.30 3.799816877e+02 3.799816877e+02 1.32 3.524695150e+02 3.524695150e+02 1.34 3.269549563e+02 3.269549563e+02 1.36 3.032804812e+02 3.032804812e+02 1.38 2.813094305e+02 2.813094305e+02 1.40 2.609206828e+02 2.609206828e+02 1.42 2.420025703e+02 2.420025703e+02 1.44 2.244485006e+02 2.244485006e+02 1.46 2.081554828e+02 2.081554828e+02 1.48 1.930249199e+02 1.930249199e+02 1.50 1.789644140e+02 1.789644140e+02 1.52 1.658893884e+02 1.658893884e+02 1.54 1.537236471e+02 1.537236471e+02 1.56 1.423987189e+02 1.423987189e+02 1.58 1.318524921e+02 1.318524921e+02 1.60 1.220277670e+02 1.220277670e+02 1.62 1.128710885e+02 1.128710885e+02 1.64 1.043319862e+02 1.043319862e+02 1.66 9.636268127e+01 9.636268127e+01 1.68 8.891829656e+01 8.891829656e+01 1.70 8.195749174e+01 8.195749174e+01 1.72 7.544328330e+01 7.544328330e+01 1.74 6.934372253e+01 6.934372253e+01 1.76 6.363213728e+01 6.363213728e+01 1.78 5.828674431e+01 5.828674431e+01 1.80 5.328960913e+01 5.328960913e+01 1.82 4.862516533e+01 4.862516533e+01 1.84 4.427907766e+01 4.427907766e+01 1.86 4.023697896e+01 4.023697896e+01 1.88 3.650098017e+01 3.650098017e+01 1.90 3.306525075e+01 3.306525075e+01 1.92 2.990759418e+01 2.990759418e+01 1.94 2.700627324e+01 2.700627324e+01 1.96 2.434042989e+01 2.434042989e+01 1.98 2.189033713e+01 2.189033713e+01 2.00 1.963754596e+01 1.963754596e+01 2.02 1.756497461e+01 1.756497461e+01 2.04 1.565693796e+01 1.565693796e+01 2.06 1.389910255e+01 1.389910255e+01 2.08 1.227838222e+01 1.227838222e+01 2.10 1.078282048e+01 1.078282048e+01 2.12 9.401504523e+00 9.401504523e+00 2.14 8.124526656e+00 8.124526656e+00 2.16 6.942976289e+00 6.942976289e+00 2.18 5.848930201e+00 5.848930201e+00 2.20 4.835413855e+00 4.835413855e+00 2.22 3.896323883e+00 3.896323883e+00 2.24 3.026318916e+00 3.026318916e+00 2.26 2.220695043e+00 2.220695043e+00 2.28 1.475262872e+00 1.475262872e+00 2.30 7.862387332e-01 7.862387332e-01 2.32 1.501566534e-01 1.501566534e-01 2.34 -4.361974707e-01 -4.361974707e-01 2.36 -9.758316612e-01 -9.758316612e-01 2.38 -1.471577447e+00 -1.471577447e+00 2.40 -1.926107571e+00 -1.926107571e+00 2.42 -2.341945905e+00 -2.341945905e+00 2.44 -2.721470052e+00 -2.721470052e+00 2.46 -3.066841574e+00 -3.066841574e+00 2.48 -3.380208265e+00 -3.380208265e+00 2.50 -3.663642902e+00 -3.663642902e+00 2.52 -3.919092639e+00 -3.919092639e+00 2.54 -4.148393417e+00 -4.148393417e+00 2.56 -4.353282012e+00 -4.353282012e+00 2.58 -4.535402956e+00 -4.535402956e+00 2.60 -4.696297881e+00 -4.696297881e+00 2.62 -4.837105314e+00 -4.837105314e+00 2.64 -4.958799966e+00 -4.958799966e+00 2.66 -5.062491893e+00 -5.062491893e+00 2.68 -5.149210551e+00 -5.149210551e+00 2.70 -5.219905222e+00 -5.219905222e+00 2.72 -5.275455711e+00 -5.275455711e+00 2.74 -5.316688674e+00 -5.316688674e+00 2.76 -5.344373912e+00 -5.344373912e+00 2.78 -5.359033036e+00 -5.359033036e+00 2.80 -5.361078009e+00 -5.361078009e+00 2.82 -5.350971300e+00 -5.350971300e+00 2.84 -5.329226461e+00 -5.329226461e+00 2.86 -5.296409165e+00 -5.296409165e+00 2.88 -5.253141183e+00 -5.253141183e+00 2.90 -5.200106028e+00 -5.200106028e+00 2.92 -5.138096790e+00 -5.138096790e+00 2.94 -5.068052425e+00 -5.068052425e+00 2.96 -4.990718174e+00 -4.990718174e+00 2.98 -4.906894076e+00 -4.906894076e+00 3.00 -4.817440572e+00 -4.817440572e+00 3.02 -4.723246310e+00 -4.723246310e+00 3.04 -4.625191352e+00 -4.625191352e+00 3.06 -4.524109277e+00 -4.524109277e+00 3.08 -4.420749313e+00 -4.420749313e+00 3.10 -4.315733760e+00 -4.315733760e+00 3.12 -4.209553492e+00 -4.209553492e+00 3.14 -4.102567797e+00 -4.102567797e+00 3.16 -3.995008024e+00 -3.995008024e+00 3.18 -3.886990754e+00 -3.886990754e+00 3.20 -3.778538062e+00 -3.778538062e+00 3.22 -3.669602133e+00 -3.669602133e+00 3.24 -3.560091801e+00 -3.560091801e+00 3.26 -3.449899162e+00 -3.449899162e+00 3.28 -3.338925033e+00 -3.338925033e+00 3.30 -3.227102433e+00 -3.227102433e+00 3.32 -3.114417476e+00 -3.114417476e+00 3.34 -3.000926960e+00 -3.000926960e+00 3.36 -2.886771805e+00 -2.886771805e+00 3.38 -2.772185291e+00 -2.772185291e+00 3.40 -2.657495032e+00 -2.657495032e+00 3.42 -2.543117865e+00 -2.543117865e+00 3.44 -2.429547330e+00 -2.429547330e+00 3.46 -2.317334190e+00 -2.317334190e+00 3.48 -2.207061332e+00 -2.207061332e+00 3.50 -2.099315199e+00 -2.099315199e+00 3.52 -1.994656445e+00 -1.994656445e+00 3.54 -1.893592695e+00 -1.893592695e+00 3.56 -1.796555939e+00 -1.796555939e+00 3.58 -1.703886424e+00 -1.703886424e+00 3.60 -1.615823949e+00 -1.615823949e+00 3.62 -1.532506508e+00 -1.532506508e+00 3.64 -1.453975387e+00 -1.453975387e+00 3.66 -1.380185261e+00 -1.380185261e+00 3.68 -1.311017585e+00 -1.311017585e+00 3.70 -1.246295580e+00 -1.246295580e+00 3.72 -1.185799387e+00 -1.185799387e+00 3.74 -1.129280248e+00 -1.129280248e+00 3.76 -1.076473013e+00 -1.076473013e+00 3.78 -1.027106559e+00 -1.027106559e+00 3.80 -9.809120401e-01 -9.809120401e-01 3.82 -9.376290490e-01 -9.376290490e-01 3.84 -8.970099221e-01 -8.970099221e-01 3.86 -8.588224781e-01 -8.588224781e-01 3.88 -8.228514935e-01 -8.228514935e-01 3.90 -7.888992138e-01 -7.888992138e-01 3.92 -7.567851574e-01 -7.567851574e-01 3.94 -7.263454436e-01 -7.263454436e-01 3.96 -6.974318125e-01 -6.974318125e-01 3.98 -6.699104953e-01 -6.699104953e-01 4.00 -6.436610320e-01 -6.436610320e-01 4.02 -6.185751212e-01 -6.185751212e-01 4.04 -5.945555586e-01 -5.945555586e-01 4.06 -5.715153010e-01 -5.715153010e-01 4.08 -5.493766793e-01 -5.493766793e-01 4.10 -5.280707657e-01 -5.280707657e-01 4.12 -5.075369032e-01 -5.075369032e-01 4.14 -4.877223430e-01 -4.877223430e-01 4.16 -4.685820052e-01 -4.685820052e-01 4.18 -4.500782741e-01 -4.500782741e-01 4.20 -4.321807830e-01 -4.321807830e-01 4.22 -4.148661137e-01 -4.148661137e-01 4.24 -3.981173369e-01 -3.981173369e-01 4.26 -3.819233317e-01 -3.819233317e-01 4.28 -3.662778462e-01 -3.662778462e-01 4.30 -3.511782965e-01 -3.511782965e-01 4.32 -3.366243507e-01 -3.366243507e-01 4.34 -3.226163878e-01 -3.226163878e-01 4.36 -3.091539577e-01 -3.091539577e-01 4.38 -2.962343850e-01 -2.962343850e-01 4.40 -2.838516440e-01 -2.838516440e-01 4.42 -2.719956038e-01 -2.719956038e-01 4.44 -2.606516872e-01 -2.606516872e-01 4.46 -2.498009296e-01 -2.498009296e-01 4.48 -2.394202098e-01 -2.394202098e-01 4.50 -2.294829075e-01 -2.294829075e-01 4.52 -2.199605423e-01 -2.199605423e-01 4.54 -2.108227951e-01 -2.108227951e-01 4.56 -2.020383290e-01 -2.020383290e-01 4.58 -1.935755779e-01 -1.935755779e-01 4.60 -1.854034107e-01 -1.854034107e-01 4.62 -1.774916736e-01 -1.774916736e-01 4.64 -1.698116236e-01 -1.698116236e-01 4.66 -1.623362780e-01 -1.623362780e-01 4.68 -1.550407078e-01 -1.550407078e-01 4.70 -1.479023014e-01 -1.479023014e-01 4.72 -1.409010204e-01 -1.409010204e-01 4.74 -1.340196635e-01 -1.340196635e-01 4.76 -1.272441436e-01 -1.272441436e-01 4.78 -1.205637770e-01 -1.205637770e-01 4.80 -1.139715698e-01 -1.139715698e-01 4.82 -1.074644835e-01 -1.074644835e-01 4.84 -1.010436336e-01 -1.010436336e-01 4.86 -9.471440132e-02 -9.471440132e-02 4.88 -8.848640234e-02 -8.848640234e-02 4.90 -8.237327769e-02 -8.237327769e-02 4.92 -7.639227729e-02 -7.639227729e-02 4.94 -7.056362151e-02 -7.056362151e-02 4.96 -6.490964938e-02 -6.490964938e-02 4.98 -5.945378804e-02 -5.945378804e-02 5.00 -5.421940318e-02 -5.421940318e-02 5.02 -4.922861026e-02 -4.922861026e-02 5.04 -4.450114214e-02 -4.450114214e-02 5.06 -4.005336071e-02 -4.005336071e-02 5.08 -3.589748664e-02 -3.589748664e-02 5.10 -3.204110891e-02 -3.204110891e-02 5.12 -2.848698545e-02 -2.848698545e-02 5.14 -2.523314181e-02 -2.523314181e-02 5.16 -2.227322392e-02 -2.227322392e-02 5.18 -1.959704159e-02 -1.959704159e-02 5.20 -1.719121042e-02 -1.719121042e-02 5.22 -1.503955700e-02 -1.503955700e-02 5.24 -1.312478598e-02 -1.312478598e-02 5.26 -1.142867883e-02 -1.142867883e-02 5.28 -9.932524223e-03 -9.932524223e-03 5.30 -8.617678884e-03 -8.617678884e-03 5.32 -7.466010849e-03 -7.466010849e-03 5.34 -6.460229893e-03 -6.460229893e-03 5.36 -5.584116022e-03 -5.584116022e-03 5.38 -4.822660672e-03 -4.822660672e-03 5.40 -4.162136485e-03 -4.162136485e-03 5.42 -3.590111195e-03 -3.590111195e-03 5.44 -3.095419792e-03 -3.095419792e-03 5.46 -2.668107214e-03 -2.668107214e-03 5.48 -2.299351683e-03 -2.299351683e-03 5.50 -1.981376752e-03 -1.981376752e-03 5.52 -1.707358237e-03 -1.707358237e-03 5.54 -1.471330585e-03 -1.471330585e-03 5.56 -1.268095888e-03 -1.268095888e-03 5.58 -1.093137678e-03 -1.093137678e-03 5.60 -9.425408076e-04 -9.425408076e-04 5.62 -8.129180999e-04 -8.129180999e-04 5.64 -7.013439898e-04 -7.013439898e-04 5.66 -6.052950753e-04 -6.052950753e-04 5.68 -5.225972786e-04 -5.225972786e-04 5.70 -4.513791886e-04 -4.513791886e-04 5.72 -3.900310850e-04 -3.900310850e-04 5.74 -3.371691153e-04 -3.371691153e-04 5.76 -2.916040943e-04 -2.916040943e-04 5.78 -2.523144148e-04 -2.523144148e-04 5.80 -2.184225912e-04 -2.184225912e-04 5.82 -1.891749917e-04 -1.891749917e-04 5.84 -1.639243587e-04 -1.639243587e-04 5.86 -1.421147547e-04 -1.421147547e-04 5.88 -1.232686155e-04 -1.232686155e-04 5.90 -1.069756244e-04 -1.069756244e-04 5.92 -9.288316022e-05 -9.288316022e-05 5.94 -8.068810107e-05 -8.068810107e-05 5.96 -7.012979446e-05 -7.012979446e-05 5.98 -6.098403053e-05 -6.098403053e-05 6.00 -5.305787564e-05 -5.305787564e-05