# 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 = Au2MoTi # 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 3.494582095e+02 3.494582095e+02 1.30 3.243467083e+02 3.243467083e+02 1.32 3.010674348e+02 3.010674348e+02 1.34 2.794746160e+02 2.794746160e+02 1.36 2.594375303e+02 2.594375303e+02 1.38 2.408382534e+02 2.408382534e+02 1.40 2.235697229e+02 2.235697229e+02 1.42 2.075333752e+02 2.075333752e+02 1.44 1.926370002e+02 1.926370002e+02 1.46 1.787935904e+02 1.787935904e+02 1.48 1.659213482e+02 1.659213482e+02 1.50 1.539444933e+02 1.539444933e+02 1.52 1.427940699e+02 1.427940699e+02 1.54 1.324079991e+02 1.324079991e+02 1.56 1.227302165e+02 1.227302165e+02 1.58 1.137093531e+02 1.137093531e+02 1.60 1.052976048e+02 1.052976048e+02 1.62 9.745011416e+01 9.745011416e+01 1.64 9.012477271e+01 9.012477271e+01 1.66 8.328225089e+01 8.328225089e+01 1.68 7.688620058e+01 7.688620058e+01 1.70 7.090358400e+01 7.090358400e+01 1.72 6.530493951e+01 6.530493951e+01 1.74 6.006437187e+01 6.006437187e+01 1.76 5.515923745e+01 5.515923745e+01 1.78 5.056962113e+01 5.056962113e+01 1.80 4.627767554e+01 4.627767554e+01 1.82 4.226896784e+01 4.226896784e+01 1.84 3.855057956e+01 3.855057956e+01 1.86 3.511055271e+01 3.511055271e+01 1.88 3.193010425e+01 3.193010425e+01 1.90 2.899108942e+01 2.899108942e+01 1.92 2.627621633e+01 2.627621633e+01 1.94 2.376915230e+01 2.376915230e+01 1.96 2.145449553e+01 2.145449553e+01 1.98 1.931768302e+01 1.931768302e+01 2.00 1.734493950e+01 1.734493950e+01 2.02 1.552330850e+01 1.552330850e+01 2.04 1.384072216e+01 1.384072216e+01 2.06 1.228604505e+01 1.228604505e+01 2.08 1.084906740e+01 1.084906740e+01 2.10 9.520463816e+00 9.520463816e+00 2.12 8.291739699e+00 8.291739699e+00 2.14 7.155176848e+00 7.155176848e+00 2.16 6.103778423e+00 6.103778423e+00 2.18 5.131210021e+00 5.131210021e+00 2.20 4.231735033e+00 4.231735033e+00 2.22 3.400146333e+00 3.400146333e+00 2.24 2.631701292e+00 2.631701292e+00 2.26 1.922067058e+00 1.922067058e+00 2.28 1.267277735e+00 1.267277735e+00 2.30 6.636986279e-01 6.636986279e-01 2.32 1.079890877e-01 1.079890877e-01 2.34 -4.029384195e-01 -4.029384195e-01 2.36 -8.719578932e-01 -8.719578932e-01 2.38 -1.301761185e+00 -1.301761185e+00 2.40 -1.694878220e+00 -1.694878220e+00 2.42 -2.053688843e+00 -2.053688843e+00 2.44 -2.380431060e+00 -2.380431060e+00 2.46 -2.677209734e+00 -2.677209734e+00 2.48 -2.946007139e+00 -2.946007139e+00 2.50 -3.188695118e+00 -3.188695118e+00 2.52 -3.407047399e+00 -3.407047399e+00 2.54 -3.602750222e+00 -3.602750222e+00 2.56 -3.777409421e+00 -3.777409421e+00 2.58 -3.932442948e+00 -3.932442948e+00 2.60 -4.069310458e+00 -4.069310458e+00 2.62 -4.189512182e+00 -4.189512182e+00 2.64 -4.294421829e+00 -4.294421829e+00 2.66 -4.385279307e+00 -4.385279307e+00 2.68 -4.463213837e+00 -4.463213837e+00 2.70 -4.529241947e+00 -4.529241947e+00 2.72 -4.584163089e+00 -4.584163089e+00 2.74 -4.628629624e+00 -4.628629624e+00 2.76 -4.663093482e+00 -4.663093482e+00 2.78 -4.687992560e+00 -4.687992560e+00 2.80 -4.703779750e+00 -4.703779750e+00 2.82 -4.710909510e+00 -4.710909510e+00 2.84 -4.709715486e+00 -4.709715486e+00 2.86 -4.700494112e+00 -4.700494112e+00 2.88 -4.683686063e+00 -4.683686063e+00 2.90 -4.659529518e+00 -4.659529518e+00 2.92 -4.628280830e+00 -4.628280830e+00 2.94 -4.590259924e+00 -4.590259924e+00 2.96 -4.545845663e+00 -4.545845663e+00 2.98 -4.495470849e+00 -4.495470849e+00 3.00 -4.439615673e+00 -4.439615673e+00 3.02 -4.378798043e+00 -4.378798043e+00 3.04 -4.313551142e+00 -4.313551142e+00 3.06 -4.244404088e+00 -4.244404088e+00 3.08 -4.171873960e+00 -4.171873960e+00 3.10 -4.096446118e+00 -4.096446118e+00 3.12 -4.018556617e+00 -4.018556617e+00 3.14 -3.938581115e+00 -3.938581115e+00 3.16 -3.856830939e+00 -3.856830939e+00 3.18 -3.773556422e+00 -3.773556422e+00 3.20 -3.688955322e+00 -3.688955322e+00 3.22 -3.603184458e+00 -3.603184458e+00 3.24 -3.516372611e+00 -3.516372611e+00 3.26 -3.428633350e+00 -3.428633350e+00 3.28 -3.340076908e+00 -3.340076908e+00 3.30 -3.250820645e+00 -3.250820645e+00 3.32 -3.160997793e+00 -3.160997793e+00 3.34 -3.070764234e+00 -3.070764234e+00 3.36 -2.980303055e+00 -2.980303055e+00 3.38 -2.889826607e+00 -2.889826607e+00 3.40 -2.799575857e+00 -2.799575857e+00 3.42 -2.709817090e+00 -2.709817090e+00 3.44 -2.620835904e+00 -2.620835904e+00 3.46 -2.532929245e+00 -2.532929245e+00 3.48 -2.446395867e+00 -2.446395867e+00 3.50 -2.361526060e+00 -2.361526060e+00 3.52 -2.278591392e+00 -2.278591392e+00 3.54 -2.197835167e+00 -2.197835167e+00 3.56 -2.119464223e+00 -2.119464223e+00 3.58 -2.043642639e+00 -2.043642639e+00 3.60 -1.970487826e+00 -1.970487826e+00 3.62 -1.900069348e+00 -1.900069348e+00 3.64 -1.832410564e+00 -1.832410564e+00 3.66 -1.767492836e+00 -1.767492836e+00 3.68 -1.705261698e+00 -1.705261698e+00 3.70 -1.645634177e+00 -1.645634177e+00 3.72 -1.588506398e+00 -1.588506398e+00 3.74 -1.533760750e+00 -1.533760750e+00 3.76 -1.481272125e+00 -1.481272125e+00 3.78 -1.430912973e+00 -1.430912973e+00 3.80 -1.382557164e+00 -1.382557164e+00 3.82 -1.336082737e+00 -1.336082737e+00 3.84 -1.291373715e+00 -1.291373715e+00 3.86 -1.248321186e+00 -1.248321186e+00 3.88 -1.206823811e+00 -1.206823811e+00 3.90 -1.166787927e+00 -1.166787927e+00 3.92 -1.128127330e+00 -1.128127330e+00 3.94 -1.090763016e+00 -1.090763016e+00 3.96 -1.054622497e+00 -1.054622497e+00 3.98 -1.019639393e+00 -1.019639393e+00 4.00 -9.857528385e-01 -9.857528385e-01 4.02 -9.529069733e-01 -9.529069733e-01 4.04 -9.210504908e-01 -9.210504908e-01 4.06 -8.901362855e-01 -8.901362855e-01 4.08 -8.601212087e-01 -8.601212087e-01 4.10 -8.309658766e-01 -8.309658766e-01 4.12 -8.026349311e-01 -8.026349311e-01 4.14 -7.750966951e-01 -7.750966951e-01 4.16 -7.483236314e-01 -7.483236314e-01 4.18 -7.222924410e-01 -7.222924410e-01 4.20 -6.969842084e-01 -6.969842084e-01 4.22 -6.723844454e-01 -6.723844454e-01 4.24 -6.484829630e-01 -6.484829630e-01 4.26 -6.252735107e-01 -6.252735107e-01 4.28 -6.027531448e-01 -6.027531448e-01 4.30 -5.809213206e-01 -5.809213206e-01 4.32 -5.597787504e-01 -5.597787504e-01 4.34 -5.393261094e-01 -5.393261094e-01 4.36 -5.195627106e-01 -5.195627106e-01 4.38 -5.004852834e-01 -5.004852834e-01 4.40 -4.820869823e-01 -4.820869823e-01 4.42 -4.643567219e-01 -4.643567219e-01 4.44 -4.472788841e-01 -4.472788841e-01 4.46 -4.308333918e-01 -4.308333918e-01 4.48 -4.149960974e-01 -4.149960974e-01 4.50 -3.997394021e-01 -3.997394021e-01 4.52 -3.850330122e-01 -3.850330122e-01 4.54 -3.708447421e-01 -3.708447421e-01 4.56 -3.571412934e-01 -3.571412934e-01 4.58 -3.438889588e-01 -3.438889588e-01 4.60 -3.310542299e-01 -3.310542299e-01 4.62 -3.186043022e-01 -3.186043022e-01 4.64 -3.065074904e-01 -3.065074904e-01 4.66 -2.947335749e-01 -2.947335749e-01 4.68 -2.832541031e-01 -2.832541031e-01 4.70 -2.720426740e-01 -2.720426740e-01 4.72 -2.610752239e-01 -2.610752239e-01 4.74 -2.503303333e-01 -2.503303333e-01 4.76 -2.397895604e-01 -2.397895604e-01 4.78 -2.294378029e-01 -2.294378029e-01 4.80 -2.192636333e-01 -2.192636333e-01 4.82 -2.092598467e-01 -2.092598467e-01 4.84 -1.994235197e-01 -1.994235197e-01 4.86 -1.897564560e-01 -1.897564560e-01 4.88 -1.802652606e-01 -1.802652606e-01 4.90 -1.709612847e-01 -1.709612847e-01 4.92 -1.618603456e-01 -1.618603456e-01 4.94 -1.529821891e-01 -1.529821891e-01 4.96 -1.443496826e-01 -1.443496826e-01 4.98 -1.359877554e-01 -1.359877554e-01 5.00 -1.279221349e-01 -1.279221349e-01 5.02 -1.201779576e-01 -1.201779576e-01 5.04 -1.127783586e-01 -1.127783586e-01 5.06 -1.057431543e-01 -1.057431543e-01 5.08 -9.908773129e-02 -9.908773129e-02 5.10 -9.282222971e-02 -9.282222971e-02 5.12 -8.695108856e-02 -8.695108856e-02 5.14 -8.147295419e-02 -8.147295419e-02 5.16 -7.638094108e-02 -7.638094108e-02 5.18 -7.166317849e-02 -7.166317849e-02 5.20 -6.730355770e-02 -6.730355770e-02 5.22 -6.328244188e-02 -6.328244188e-02 5.24 -5.957809939e-02 -5.957809939e-02 5.26 -5.616723015e-02 -5.616723015e-02 5.28 -5.302567653e-02 -5.302567653e-02 5.30 -5.012956662e-02 -5.012956662e-02 5.32 -4.745545033e-02 -4.745545033e-02 5.34 -4.498073588e-02 -4.498073588e-02 5.36 -4.268401895e-02 -4.268401895e-02 5.38 -4.054529246e-02 -4.054529246e-02 5.40 -3.854606034e-02 -3.854606034e-02 5.42 -3.666937849e-02 -3.666937849e-02 5.44 -3.489984389e-02 -3.489984389e-02 5.46 -3.322355008e-02 -3.322355008e-02 5.48 -3.162802379e-02 -3.162802379e-02 5.50 -3.010215465e-02 -3.010215465e-02 5.52 -2.863612661e-02 -2.863612661e-02 5.54 -2.722135742e-02 -2.722135742e-02 5.56 -2.585044919e-02 -2.585044919e-02 5.58 -2.451715209e-02 -2.451715209e-02 5.60 -2.321633996e-02 -2.321633996e-02 5.62 -2.194399489e-02 -2.194399489e-02 5.64 -2.069719618e-02 -2.069719618e-02 5.66 -1.947410701e-02 -1.947410701e-02 5.68 -1.827395155e-02 -1.827395155e-02 5.70 -1.709697427e-02 -1.709697427e-02 5.72 -1.594437380e-02 -1.594437380e-02 5.74 -1.481820538e-02 -1.481820538e-02 5.76 -1.372124580e-02 -1.372124580e-02 5.78 -1.265668612e-02 -1.265668612e-02 5.80 -1.162819500e-02 -1.162819500e-02 5.82 -1.063968394e-02 -1.063968394e-02 5.84 -9.694974944e-03 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