# 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 = PbPtTi2 # 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 3.891185019e+02 3.891185019e+02 1.30 3.634340839e+02 3.634340839e+02 1.32 3.395049524e+02 3.395049524e+02 1.34 3.172041790e+02 3.172041790e+02 1.36 2.964133830e+02 2.964133830e+02 1.38 2.770190234e+02 2.770190234e+02 1.40 2.589137200e+02 2.589137200e+02 1.42 2.419989827e+02 2.419989827e+02 1.44 2.261855624e+02 2.261855624e+02 1.46 2.113921549e+02 2.113921549e+02 1.48 1.975448232e+02 1.975448232e+02 1.50 1.845769746e+02 1.845769746e+02 1.52 1.724283884e+02 1.724283884e+02 1.54 1.610434801e+02 1.610434801e+02 1.56 1.503697389e+02 1.503697389e+02 1.58 1.403568703e+02 1.403568703e+02 1.60 1.309566337e+02 1.309566337e+02 1.62 1.221233586e+02 1.221233586e+02 1.64 1.138148552e+02 1.138148552e+02 1.66 1.059934461e+02 1.059934461e+02 1.68 9.862679179e+01 9.862679179e+01 1.70 9.168804659e+01 9.168804659e+01 1.72 8.515491354e+01 8.515491354e+01 1.74 7.900754141e+01 7.900754141e+01 1.76 7.322617835e+01 7.322617835e+01 1.78 6.778981873e+01 6.778981873e+01 1.80 6.267631330e+01 6.267631330e+01 1.82 5.786360881e+01 5.786360881e+01 1.84 5.333740773e+01 5.333740773e+01 1.86 4.912465190e+01 4.912465190e+01 1.88 4.521175362e+01 4.521175362e+01 1.90 4.157667758e+01 4.157667758e+01 1.92 3.819967960e+01 3.819967960e+01 1.94 3.506268272e+01 3.506268272e+01 1.96 3.214881060e+01 3.214881060e+01 1.98 2.944214062e+01 2.944214062e+01 2.00 2.692764245e+01 2.692764245e+01 2.02 2.459123076e+01 2.459123076e+01 2.04 2.241983915e+01 2.241983915e+01 2.06 2.040145955e+01 2.040145955e+01 2.08 1.852513844e+01 1.852513844e+01 2.10 1.678091964e+01 1.678091964e+01 2.12 1.515974987e+01 1.515974987e+01 2.14 1.365334351e+01 1.365334351e+01 2.16 1.225404770e+01 1.225404770e+01 2.18 1.095473826e+01 1.095473826e+01 2.20 9.748753338e+00 9.748753338e+00 2.22 8.629860837e+00 8.629860837e+00 2.24 7.592242851e+00 7.592242851e+00 2.26 6.630489041e+00 6.630489041e+00 2.28 5.739591445e+00 5.739591445e+00 2.30 4.914924172e+00 4.914924172e+00 2.32 4.152203581e+00 4.152203581e+00 2.34 3.447437109e+00 3.447437109e+00 2.36 2.796867439e+00 2.796867439e+00 2.38 2.196937295e+00 2.196937295e+00 2.40 1.644272578e+00 1.644272578e+00 2.42 1.135675650e+00 1.135675650e+00 2.44 6.681163855e-01 6.681163855e-01 2.46 2.387173855e-01 2.387173855e-01 2.48 -1.552655762e-01 -1.552655762e-01 2.50 -5.164597210e-01 -5.164597210e-01 2.52 -8.473795228e-01 -8.473795228e-01 2.54 -1.150413887e+00 -1.150413887e+00 2.56 -1.427798193e+00 -1.427798193e+00 2.58 -1.681580823e+00 -1.681580823e+00 2.60 -1.913597537e+00 -1.913597537e+00 2.62 -2.125514789e+00 -2.125514789e+00 2.64 -2.319736126e+00 -2.319736126e+00 2.66 -2.497616380e+00 -2.497616380e+00 2.68 -2.659946759e+00 -2.659946759e+00 2.70 -2.807461071e+00 -2.807461071e+00 2.72 -2.940855878e+00 -2.940855878e+00 2.74 -3.060877111e+00 -3.060877111e+00 2.76 -3.168171989e+00 -3.168171989e+00 2.78 -3.263292526e+00 -3.263292526e+00 2.80 -3.346792214e+00 -3.346792214e+00 2.82 -3.419221708e+00 -3.419221708e+00 2.84 -3.481128368e+00 -3.481128368e+00 2.86 -3.533058965e+00 -3.533058965e+00 2.88 -3.575565563e+00 -3.575565563e+00 2.90 -3.609213201e+00 -3.609213201e+00 2.92 -3.634546608e+00 -3.634546608e+00 2.94 -3.652023446e+00 -3.652023446e+00 2.96 -3.662140409e+00 -3.662140409e+00 2.98 -3.665451729e+00 -3.665451729e+00 3.00 -3.662553543e+00 -3.662553543e+00 3.02 -3.654061967e+00 -3.654061967e+00 3.04 -3.640586191e+00 -3.640586191e+00 3.06 -3.622704911e+00 -3.622704911e+00 3.08 -3.600938575e+00 -3.600938575e+00 3.10 -3.575738220e+00 -3.575738220e+00 3.12 -3.547479308e+00 -3.547479308e+00 3.14 -3.516469031e+00 -3.516469031e+00 3.16 -3.482954161e+00 -3.482954161e+00 3.18 -3.447138154e+00 -3.447138154e+00 3.20 -3.409194167e+00 -3.409194167e+00 3.22 -3.369275900e+00 -3.369275900e+00 3.24 -3.327524886e+00 -3.327524886e+00 3.26 -3.284074680e+00 -3.284074680e+00 3.28 -3.239052930e+00 -3.239052930e+00 3.30 -3.192582338e+00 -3.192582338e+00 3.32 -3.144781227e+00 -3.144781227e+00 3.34 -3.095764105e+00 -3.095764105e+00 3.36 -3.045642355e+00 -3.045642355e+00 3.38 -2.994525096e+00 -2.994525096e+00 3.40 -2.942520068e+00 -2.942520068e+00 3.42 -2.889735290e+00 -2.889735290e+00 3.44 -2.836279874e+00 -2.836279874e+00 3.46 -2.782290565e+00 -2.782290565e+00 3.48 -2.727894766e+00 -2.727894766e+00 3.50 -2.673239195e+00 -2.673239195e+00 3.52 -2.618476286e+00 -2.618476286e+00 3.54 -2.563756153e+00 -2.563756153e+00 3.56 -2.509224129e+00 -2.509224129e+00 3.58 -2.455016863e+00 -2.455016863e+00 3.60 -2.401257701e+00 -2.401257701e+00 3.62 -2.348052378e+00 -2.348052378e+00 3.64 -2.295484715e+00 -2.295484715e+00 3.66 -2.243610791e+00 -2.243610791e+00 3.68 -2.192465172e+00 -2.192465172e+00 3.70 -2.142066261e+00 -2.142066261e+00 3.72 -2.092419701e+00 -2.092419701e+00 3.74 -2.043522076e+00 -2.043522076e+00 3.76 -1.995364249e+00 -1.995364249e+00 3.78 -1.947934013e+00 -1.947934013e+00 3.80 -1.901217964e+00 -1.901217964e+00 3.82 -1.855202649e+00 -1.855202649e+00 3.84 -1.809875161e+00 -1.809875161e+00 3.86 -1.765223333e+00 -1.765223333e+00 3.88 -1.721235695e+00 -1.721235695e+00 3.90 -1.677901299e+00 -1.677901299e+00 3.92 -1.635209163e+00 -1.635209163e+00 3.94 -1.593149539e+00 -1.593149539e+00 3.96 -1.551711563e+00 -1.551711563e+00 3.98 -1.510884942e+00 -1.510884942e+00 4.00 -1.470659815e+00 -1.470659815e+00 4.02 -1.431027275e+00 -1.431027275e+00 4.04 -1.391980141e+00 -1.391980141e+00 4.06 -1.353513937e+00 -1.353513937e+00 4.08 -1.315628012e+00 -1.315628012e+00 4.10 -1.278325489e+00 -1.278325489e+00 4.12 -1.241619161e+00 -1.241619161e+00 4.14 -1.205524358e+00 -1.205524358e+00 4.16 -1.170064445e+00 -1.170064445e+00 4.18 -1.135268746e+00 -1.135268746e+00 4.20 -1.101171128e+00 -1.101171128e+00 4.22 -1.067807879e+00 -1.067807879e+00 4.24 -1.035215054e+00 -1.035215054e+00 4.26 -1.003425584e+00 -1.003425584e+00 4.28 -9.724665081e-01 -9.724665081e-01 4.30 -9.423566684e-01 -9.423566684e-01 4.32 -9.131051253e-01 -9.131051253e-01 4.34 -8.847104307e-01 -8.847104307e-01 4.36 -8.571607494e-01 -8.571607494e-01 4.38 -8.304347018e-01 -8.304347018e-01 4.40 -8.045027229e-01 -8.045027229e-01 4.42 -7.793287089e-01 -7.793287089e-01 4.44 -7.548717395e-01 -7.548717395e-01 4.46 -7.310877124e-01 -7.310877124e-01 4.48 -7.079307871e-01 -7.079307871e-01 4.50 -6.853545936e-01 -6.853545936e-01 4.52 -6.633132091e-01 -6.633132091e-01 4.54 -6.417619394e-01 -6.417619394e-01 4.56 -6.206579604e-01 -6.206579604e-01 4.58 -5.999608813e-01 -5.999608813e-01 4.60 -5.796332848e-01 -5.796332848e-01 4.62 -5.596412908e-01 -5.596412908e-01 4.64 -5.399551715e-01 -5.399551715e-01 4.66 -5.205500246e-01 -5.205500246e-01 4.68 -5.014064900e-01 -5.014064900e-01 4.70 -4.825114716e-01 -4.825114716e-01 4.72 -4.638588006e-01 -4.638588006e-01 4.74 -4.454497644e-01 -4.454497644e-01 4.76 -4.272934087e-01 -4.272934087e-01 4.78 -4.094065282e-01 -4.094065282e-01 4.80 -3.918124766e-01 -3.918124766e-01 4.82 -3.745436580e-01 -3.745436580e-01 4.84 -3.576351179e-01 -3.576351179e-01 4.86 -3.411265482e-01 -3.411265482e-01 4.88 -3.250594837e-01 -3.250594837e-01 4.90 -3.094753281e-01 -3.094753281e-01 4.92 -2.944134204e-01 -2.944134204e-01 4.94 -2.799092900e-01 -2.799092900e-01 4.96 -2.659932172e-01 -2.659932172e-01 4.98 -2.526891682e-01 -2.526891682e-01 5.00 -2.400141254e-01 -2.400141254e-01 5.02 -2.279777908e-01 -2.279777908e-01 5.04 -2.165826124e-01 -2.165826124e-01 5.06 -2.058240747e-01 -2.058240747e-01 5.08 -1.956911949e-01 -1.956911949e-01 5.10 -1.861671766e-01 -1.861671766e-01 5.12 -1.772301826e-01 -1.772301826e-01 5.14 -1.688541912e-01 -1.688541912e-01 5.16 -1.610099035e-01 -1.610099035e-01 5.18 -1.536656633e-01 -1.536656633e-01 5.20 -1.467883517e-01 -1.467883517e-01 5.22 -1.403442188e-01 -1.403442188e-01 5.24 -1.342996187e-01 -1.342996187e-01 5.26 -1.286216255e-01 -1.286216255e-01 5.28 -1.232785186e-01 -1.232785186e-01 5.30 -1.182401354e-01 -1.182401354e-01 5.32 -1.134781015e-01 -1.134781015e-01 5.34 -1.089659546e-01 -1.089659546e-01 5.36 -1.046791822e-01 -1.046791822e-01 5.38 -1.005951942e-01 -1.005951942e-01 5.40 -9.669325106e-02 -9.669325106e-02 5.42 -9.295436686e-02 -9.295436686e-02 5.44 -8.936120058e-02 -8.936120058e-02 5.46 -8.589794956e-02 -8.589794956e-02 5.48 -8.255025296e-02 -8.255025296e-02 5.50 -7.930511210e-02 -7.930511210e-02 5.52 -7.615083132e-02 -7.615083132e-02 5.54 -7.307698140e-02 -7.307698140e-02 5.56 -7.007438536e-02 -7.007438536e-02 5.58 -6.713512471e-02 -6.713512471e-02 5.60 -6.425256235e-02 -6.425256235e-02 5.62 -6.142137607e-02 -6.142137607e-02 5.64 -5.863759485e-02 -5.863759485e-02 5.66 -5.589862827e-02 -5.589862827e-02 5.68 -5.320327622e-02 -5.320327622e-02 5.70 -5.055171087e-02 -5.055171087e-02 5.72 -4.794541770e-02 -4.794541770e-02 5.74 -4.538708742e-02 -4.538708742e-02 5.76 -4.288045469e-02 -4.288045469e-02 5.78 -4.043008411e-02 -4.043008411e-02 5.80 -3.804111343e-02 -3.804111343e-02 5.82 -3.571896685e-02 -3.571896685e-02 5.84 -3.346905122e-02 -3.346905122e-02 5.86 -3.129646605e-02 -3.129646605e-02 5.88 -2.920574629e-02 -2.920574629e-02 5.90 -2.720065698e-02 -2.720065698e-02 5.92 -2.528399849e-02 -2.528399849e-02 5.94 -2.345770505e-02 -2.345770505e-02 5.96 -2.172260452e-02 -2.172260452e-02 5.98 -2.007865151e-02 -2.007865151e-02 6.00 -1.852502182e-02 -1.852502182e-02