# 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 = Pd2PtTi # 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 3.520686713e+02 3.520686713e+02 1.30 3.276921973e+02 3.276921973e+02 1.32 3.050010623e+02 3.050010623e+02 1.34 2.838665779e+02 2.838665779e+02 1.36 2.641723762e+02 2.641723762e+02 1.38 2.458111498e+02 2.458111498e+02 1.40 2.286840782e+02 2.286840782e+02 1.42 2.127011060e+02 2.127011060e+02 1.44 1.977797890e+02 1.977797890e+02 1.46 1.838435157e+02 1.838435157e+02 1.48 1.708208534e+02 1.708208534e+02 1.50 1.586457779e+02 1.586457779e+02 1.52 1.472574229e+02 1.472574229e+02 1.54 1.365990580e+02 1.365990580e+02 1.56 1.266172305e+02 1.266172305e+02 1.58 1.172618368e+02 1.172618368e+02 1.60 1.084868191e+02 1.084868191e+02 1.62 1.002506032e+02 1.002506032e+02 1.64 9.251589126e+01 9.251589126e+01 1.66 8.524921176e+01 8.524921176e+01 1.68 7.842070077e+01 7.842070077e+01 1.70 7.200395537e+01 7.200395537e+01 1.72 6.597540620e+01 6.597540620e+01 1.74 6.031305484e+01 6.031305484e+01 1.76 5.499613642e+01 5.499613642e+01 1.78 5.006001653e+01 5.006001653e+01 1.80 4.551373613e+01 4.551373613e+01 1.82 4.132409186e+01 4.132409186e+01 1.84 3.746117244e+01 3.746117244e+01 1.86 3.389842449e+01 3.389842449e+01 1.88 3.061228296e+01 3.061228296e+01 1.90 2.758166512e+01 2.758166512e+01 1.92 2.478751094e+01 2.478751094e+01 1.94 2.221241070e+01 2.221241070e+01 1.96 1.984029660e+01 1.984029660e+01 1.98 1.765620109e+01 1.765620109e+01 2.00 1.564610633e+01 1.564610633e+01 2.02 1.379688107e+01 1.379688107e+01 2.04 1.209626672e+01 1.209626672e+01 2.06 1.053287359e+01 1.053287359e+01 2.08 9.096167384e+00 9.096167384e+00 2.10 7.776437987e+00 7.776437987e+00 2.12 6.564749580e+00 6.564749580e+00 2.14 5.452880067e+00 5.452880067e+00 2.16 4.433265399e+00 4.433265399e+00 2.18 3.498958662e+00 3.498958662e+00 2.20 2.643600106e+00 2.643600106e+00 2.22 1.861385329e+00 1.861385329e+00 2.24 1.147022521e+00 1.147022521e+00 2.26 4.956786541e-01 4.956786541e-01 2.28 -9.707791532e-02 -9.707791532e-02 2.30 -6.353303019e-01 -6.353303019e-01 2.32 -1.122858239e+00 -1.122858239e+00 2.34 -1.563177675e+00 -1.563177675e+00 2.36 -1.959578595e+00 -1.959578595e+00 2.38 -2.315162130e+00 -2.315162130e+00 2.40 -2.632875231e+00 -2.632875231e+00 2.42 -2.915539975e+00 -2.915539975e+00 2.44 -3.165875341e+00 -3.165875341e+00 2.46 -3.386511508e+00 -3.386511508e+00 2.48 -3.579996566e+00 -3.579996566e+00 2.50 -3.749140581e+00 -3.749140581e+00 2.52 -3.897495657e+00 -3.897495657e+00 2.54 -4.026984849e+00 -4.026984849e+00 2.56 -4.139276123e+00 -4.139276123e+00 2.58 -4.235903664e+00 -4.235903664e+00 2.60 -4.318233213e+00 -4.318233213e+00 2.62 -4.387464394e+00 -4.387464394e+00 2.64 -4.444634513e+00 -4.444634513e+00 2.66 -4.490542149e+00 -4.490542149e+00 2.68 -4.525869360e+00 -4.525869360e+00 2.70 -4.551216425e+00 -4.551216425e+00 2.72 -4.567125478e+00 -4.567125478e+00 2.74 -4.574098067e+00 -4.574098067e+00 2.76 -4.572607233e+00 -4.572607233e+00 2.78 -4.563106069e+00 -4.563106069e+00 2.80 -4.546378417e+00 -4.546378417e+00 2.82 -4.523001279e+00 -4.523001279e+00 2.84 -4.493076603e+00 -4.493076603e+00 2.86 -4.456791640e+00 -4.456791640e+00 2.88 -4.414422474e+00 -4.414422474e+00 2.90 -4.366336968e+00 -4.366336968e+00 2.92 -4.312993682e+00 -4.312993682e+00 2.94 -4.254933320e+00 -4.254933320e+00 2.96 -4.192761308e+00 -4.192761308e+00 2.98 -4.127147865e+00 -4.127147865e+00 3.00 -4.058817836e+00 -4.058817836e+00 3.02 -3.988455989e+00 -3.988455989e+00 3.04 -3.916670755e+00 -3.916670755e+00 3.06 -3.843974130e+00 -3.843974130e+00 3.08 -3.770771592e+00 -3.770771592e+00 3.10 -3.697363739e+00 -3.697363739e+00 3.12 -3.623957169e+00 -3.623957169e+00 3.14 -3.550682031e+00 -3.550682031e+00 3.16 -3.477611779e+00 -3.477611779e+00 3.18 -3.404782599e+00 -3.404782599e+00 3.20 -3.332209570e+00 -3.332209570e+00 3.22 -3.259898853e+00 -3.259898853e+00 3.24 -3.187855980e+00 -3.187855980e+00 3.26 -3.116090895e+00 -3.116090895e+00 3.28 -3.044625520e+00 -3.044625520e+00 3.30 -2.973535561e+00 -2.973535561e+00 3.32 -2.902918977e+00 -2.902918977e+00 3.34 -2.832866302e+00 -2.832866302e+00 3.36 -2.763462274e+00 -2.763462274e+00 3.38 -2.694787005e+00 -2.694787005e+00 3.40 -2.626916623e+00 -2.626916623e+00 3.42 -2.559923729e+00 -2.559923729e+00 3.44 -2.493877631e+00 -2.493877631e+00 3.46 -2.428844719e+00 -2.428844719e+00 3.48 -2.364888729e+00 -2.364888729e+00 3.50 -2.302070803e+00 -2.302070803e+00 3.52 -2.240449092e+00 -2.240449092e+00 3.54 -2.180077662e+00 -2.180077662e+00 3.56 -2.121004589e+00 -2.121004589e+00 3.58 -2.063269391e+00 -2.063269391e+00 3.60 -2.006900181e+00 -2.006900181e+00 3.62 -1.951911128e+00 -1.951911128e+00 3.64 -1.898300778e+00 -1.898300778e+00 3.66 -1.846051612e+00 -1.846051612e+00 3.68 -1.795130918e+00 -1.795130918e+00 3.70 -1.745492757e+00 -1.745492757e+00 3.72 -1.697080665e+00 -1.697080665e+00 3.74 -1.649830676e+00 -1.649830676e+00 3.76 -1.603674336e+00 -1.603674336e+00 3.78 -1.558541447e+00 -1.558541447e+00 3.80 -1.514362445e+00 -1.514362445e+00 3.82 -1.471070305e+00 -1.471070305e+00 3.84 -1.428602010e+00 -1.428602010e+00 3.86 -1.386899573e+00 -1.386899573e+00 3.88 -1.345910716e+00 -1.345910716e+00 3.90 -1.305589258e+00 -1.305589258e+00 3.92 -1.265895328e+00 -1.265895328e+00 3.94 -1.226795624e+00 -1.226795624e+00 3.96 -1.188263558e+00 -1.188263558e+00 3.98 -1.150279738e+00 -1.150279738e+00 4.00 -1.112832548e+00 -1.112832548e+00 4.02 -1.075918912e+00 -1.075918912e+00 4.04 -1.039545129e+00 -1.039545129e+00 4.06 -1.003727631e+00 -1.003727631e+00 4.08 -9.684934504e-01 -9.684934504e-01 4.10 -9.338801233e-01 -9.338801233e-01 4.12 -8.999351898e-01 -8.999351898e-01 4.14 -8.667142108e-01 -8.667142108e-01 4.16 -8.342785732e-01 -8.342785732e-01 4.18 -8.026921604e-01 -8.026921604e-01 4.20 -7.720175346e-01 -7.720175346e-01 4.22 -7.423118891e-01 -7.423118891e-01 4.24 -7.136231665e-01 -7.136231665e-01 4.26 -6.859867389e-01 -6.859867389e-01 4.28 -6.594229833e-01 -6.594229833e-01 4.30 -6.339359640e-01 -6.339359640e-01 4.32 -6.095132866e-01 -6.095132866e-01 4.34 -5.861270356e-01 -5.861270356e-01 4.36 -5.637355876e-01 -5.637355876e-01 4.38 -5.422860204e-01 -5.422860204e-01 4.40 -5.217168217e-01 -5.217168217e-01 4.42 -5.019606323e-01 -5.019606323e-01 4.44 -4.829468215e-01 -4.829468215e-01 4.46 -4.646037672e-01 -4.646037672e-01 4.48 -4.468607867e-01 -4.468607867e-01 4.50 -4.296497208e-01 -4.296497208e-01 4.52 -4.129062166e-01 -4.129062166e-01 4.54 -3.965707716e-01 -3.965707716e-01 4.56 -3.805896080e-01 -3.805896080e-01 4.58 -3.649154374e-01 -3.649154374e-01 4.60 -3.495081572e-01 -3.495081572e-01 4.62 -3.343354978e-01 -3.343354978e-01 4.64 -3.193736130e-01 -3.193736130e-01 4.66 -3.046075827e-01 -3.046075827e-01 4.68 -2.900317755e-01 -2.900317755e-01 4.70 -2.756500025e-01 -2.756500025e-01 4.72 -2.614753926e-01 -2.614753926e-01 4.74 -2.475299219e-01 -2.475299219e-01 4.76 -2.338435519e-01 -2.338435519e-01 4.78 -2.204529580e-01 -2.204529580e-01 4.80 -2.073998293e-01 -2.073998293e-01 4.82 -1.947290636e-01 -1.947290636e-01 4.84 -1.824862915e-01 -1.824862915e-01 4.86 -1.707157883e-01 -1.707157883e-01 4.88 -1.594582162e-01 -1.594582162e-01 4.90 -1.487486482e-01 -1.487486482e-01 4.92 -1.386149615e-01 -1.386149615e-01 4.94 -1.290767045e-01 -1.290767045e-01 4.96 -1.201444910e-01 -1.201444910e-01 4.98 -1.118199279e-01 -1.118199279e-01 5.00 -1.040960302e-01 -1.040960302e-01 5.02 -9.695803491e-02 -9.695803491e-02 5.04 -9.038437093e-02 -9.038437093e-02 5.06 -8.434809440e-02 -8.434809440e-02 5.08 -7.881851719e-02 -7.881851719e-02 5.10 -7.376211668e-02 -7.376211668e-02 5.12 -6.914375885e-02 -6.914375885e-02 5.14 -6.492777590e-02 -6.492777590e-02 5.16 -6.107905490e-02 -6.107905490e-02 5.18 -5.756388981e-02 -5.756388981e-02 5.20 -5.434911507e-02 -5.434911507e-02 5.22 -5.140365437e-02 -5.140365437e-02 5.24 -4.869877617e-02 -4.869877617e-02 5.26 -4.620812433e-02 -4.620812433e-02 5.28 -4.390768186e-02 -4.390768186e-02 5.30 -4.177568391e-02 -4.177568391e-02 5.32 -3.979249504e-02 -3.979249504e-02 5.34 -3.794046357e-02 -3.794046357e-02 5.36 -3.620376381e-02 -3.620376381e-02 5.38 -3.456823503e-02 -3.456823503e-02 5.40 -3.302122207e-02 -3.302122207e-02 5.42 -3.155142796e-02 -3.155142796e-02 5.44 -3.014877833e-02 -3.014877833e-02 5.46 -2.880430182e-02 -2.880430182e-02 5.48 -2.751002840e-02 -2.751002840e-02 5.50 -2.625890658e-02 -2.625890658e-02 5.52 -2.504474018e-02 -2.504474018e-02 5.54 -2.386214369e-02 -2.386214369e-02 5.56 -2.270651561e-02 -2.270651561e-02 5.58 -2.157402920e-02 -2.157402920e-02 5.60 -2.046163287e-02 -2.046163287e-02 5.62 -1.936706013e-02 -1.936706013e-02 5.64 -1.828884280e-02 -1.828884280e-02 5.66 -1.722632095e-02 -1.722632095e-02 5.68 -1.617964239e-02 -1.617964239e-02 5.70 -1.514974431e-02 -1.514974431e-02 5.72 -1.413831038e-02 -1.413831038e-02 5.74 -1.314769773e-02 -1.314769773e-02 5.76 -1.218083121e-02 -1.218083121e-02 5.78 -1.124100705e-02 -1.124100705e-02 5.80 -1.033180453e-02 -1.033180453e-02 5.82 -9.456955981e-03 -9.456955981e-03 5.84 -8.620074092e-03 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