# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoCr2Ni # 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 2022-05-24 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 5.583346098e+02 5.583346098e+02 0.94 5.188874151e+02 5.188874151e+02 0.96 4.820668184e+02 4.820668184e+02 0.98 4.477048376e+02 4.477048376e+02 1.00 4.156438849e+02 4.156438849e+02 1.02 3.857361423e+02 3.857361423e+02 1.04 3.578429736e+02 3.578429736e+02 1.06 3.318343709e+02 3.318343709e+02 1.08 3.075884225e+02 3.075884225e+02 1.10 2.849908242e+02 2.849908242e+02 1.12 2.639344342e+02 2.639344342e+02 1.14 2.443188380e+02 2.443188380e+02 1.16 2.260499374e+02 2.260499374e+02 1.18 2.090395641e+02 2.090395641e+02 1.20 1.932051169e+02 1.932051169e+02 1.22 1.784692201e+02 1.784692201e+02 1.24 1.647594118e+02 1.647594118e+02 1.26 1.520078464e+02 1.520078464e+02 1.28 1.401509917e+02 1.401509917e+02 1.30 1.291293616e+02 1.291293616e+02 1.32 1.188872674e+02 1.188872674e+02 1.34 1.093725839e+02 1.093725839e+02 1.36 1.005365290e+02 1.005365290e+02 1.38 9.233345739e+01 9.233345739e+01 1.40 8.472066555e+01 8.472066555e+01 1.42 7.765820611e+01 7.765820611e+01 1.44 7.110870123e+01 7.110870123e+01 1.46 6.503719814e+01 6.503719814e+01 1.48 5.941102540e+01 5.941102540e+01 1.50 5.419964887e+01 5.419964887e+01 1.52 4.937453659e+01 4.937453659e+01 1.54 4.490903193e+01 4.490903193e+01 1.56 4.077823456e+01 4.077823456e+01 1.58 3.695888882e+01 3.695888882e+01 1.60 3.342927900e+01 3.342927900e+01 1.62 3.016913103e+01 3.016913103e+01 1.64 2.715952531e+01 2.715952531e+01 1.66 2.438282415e+01 2.438282415e+01 1.68 2.182257048e+01 2.182257048e+01 1.70 1.946340643e+01 1.946340643e+01 1.72 1.729100326e+01 1.729100326e+01 1.74 1.529199549e+01 1.529199549e+01 1.76 1.345391915e+01 1.345391915e+01 1.78 1.176515377e+01 1.176515377e+01 1.80 1.021486797e+01 1.021486797e+01 1.82 8.792968416e+00 8.792968416e+00 1.84 7.490051955e+00 7.490051955e+00 1.86 6.297360688e+00 6.297360688e+00 1.88 5.206739379e+00 5.206739379e+00 1.90 4.210582181e+00 4.210582181e+00 1.92 3.301797367e+00 3.301797367e+00 1.94 2.473790960e+00 2.473790960e+00 1.96 1.720434314e+00 1.720434314e+00 1.98 1.036032776e+00 1.036032776e+00 2.00 4.152963822e-01 4.152963822e-01 2.02 -1.466875487e-01 -1.466875487e-01 2.04 -6.544800309e-01 -6.544800309e-01 2.06 -1.112314357e+00 -1.112314357e+00 2.08 -1.524118474e+00 -1.524118474e+00 2.10 -1.893535901e+00 -1.893535901e+00 2.12 -2.223945257e+00 -2.223945257e+00 2.14 -2.518478520e+00 -2.518478520e+00 2.16 -2.780038056e+00 -2.780038056e+00 2.18 -3.011307365e+00 -3.011307365e+00 2.20 -3.214750005e+00 -3.214750005e+00 2.22 -3.392644126e+00 -3.392644126e+00 2.24 -3.547101736e+00 -3.547101736e+00 2.26 -3.680080026e+00 -3.680080026e+00 2.28 -3.793391966e+00 -3.793391966e+00 2.30 -3.888716201e+00 -3.888716201e+00 2.32 -3.967606311e+00 -3.967606311e+00 2.34 -4.031499460e+00 -4.031499460e+00 2.36 -4.081724485e+00 -4.081724485e+00 2.38 -4.119509446e+00 -4.119509446e+00 2.40 -4.145988687e+00 -4.145988687e+00 2.42 -4.162209426e+00 -4.162209426e+00 2.44 -4.169137901e+00 -4.169137901e+00 2.46 -4.167658266e+00 -4.167658266e+00 2.48 -4.158559745e+00 -4.158559745e+00 2.50 -4.142565999e+00 -4.142565999e+00 2.52 -4.120344844e+00 -4.120344844e+00 2.54 -4.092499742e+00 -4.092499742e+00 2.56 -4.059582686e+00 -4.059582686e+00 2.58 -4.022105245e+00 -4.022105245e+00 2.60 -3.980541283e+00 -3.980541283e+00 2.62 -3.935329452e+00 -3.935329452e+00 2.64 -3.886875530e+00 -3.886875530e+00 2.66 -3.835554608e+00 -3.835554608e+00 2.68 -3.781713143e+00 -3.781713143e+00 2.70 -3.725670880e+00 -3.725670880e+00 2.72 -3.667722653e+00 -3.667722653e+00 2.74 -3.608140072e+00 -3.608140072e+00 2.76 -3.547173100e+00 -3.547173100e+00 2.78 -3.485051538e+00 -3.485051538e+00 2.80 -3.421986404e+00 -3.421986404e+00 2.82 -3.358171232e+00 -3.358171232e+00 2.84 -3.293783284e+00 -3.293783284e+00 2.86 -3.228984686e+00 -3.228984686e+00 2.88 -3.163923490e+00 -3.163923490e+00 2.90 -3.098734667e+00 -3.098734667e+00 2.92 -3.033541033e+00 -3.033541033e+00 2.94 -2.968454125e+00 -2.968454125e+00 2.96 -2.903575006e+00 -2.903575006e+00 2.98 -2.838995029e+00 -2.838995029e+00 3.00 -2.774796546e+00 -2.774796546e+00 3.02 -2.711053570e+00 -2.711053570e+00 3.04 -2.647832395e+00 -2.647832395e+00 3.06 -2.585192178e+00 -2.585192178e+00 3.08 -2.523185477e+00 -2.523185477e+00 3.10 -2.461858760e+00 -2.461858760e+00 3.12 -2.401252874e+00 -2.401252874e+00 3.14 -2.341403486e+00 -2.341403486e+00 3.16 -2.282341501e+00 -2.282341501e+00 3.18 -2.224093440e+00 -2.224093440e+00 3.20 -2.166681803e+00 -2.166681803e+00 3.22 -2.110125404e+00 -2.110125404e+00 3.24 -2.054439685e+00 -2.054439685e+00 3.26 -1.999637011e+00 -1.999637011e+00 3.28 -1.945726940e+00 -1.945726940e+00 3.30 -1.892716483e+00 -1.892716483e+00 3.32 -1.840610340e+00 -1.840610340e+00 3.34 -1.789411127e+00 -1.789411127e+00 3.36 -1.739119582e+00 -1.739119582e+00 3.38 -1.689734762e+00 -1.689734762e+00 3.40 -1.641254225e+00 -1.641254225e+00 3.42 -1.593674205e+00 -1.593674205e+00 3.44 -1.546989764e+00 -1.546989764e+00 3.46 -1.501194951e+00 -1.501194951e+00 3.48 -1.456282934e+00 -1.456282934e+00 3.50 -1.412246136e+00 -1.412246136e+00 3.52 -1.369076355e+00 -1.369076355e+00 3.54 -1.326764878e+00 -1.326764878e+00 3.56 -1.285302588e+00 -1.285302588e+00 3.58 -1.244680061e+00 -1.244680061e+00 3.60 -1.204887660e+00 -1.204887660e+00 3.62 -1.165915620e+00 -1.165915620e+00 3.64 -1.127754120e+00 -1.127754120e+00 3.66 -1.090393363e+00 -1.090393363e+00 3.68 -1.053823634e+00 -1.053823634e+00 3.70 -1.018035363e+00 -1.018035363e+00 3.72 -9.830191714e-01 -9.830191714e-01 3.74 -9.487659240e-01 -9.487659240e-01 3.76 -9.152667620e-01 -9.152667620e-01 3.78 -8.825131379e-01 -8.825131379e-01 3.80 -8.504968404e-01 -8.504968404e-01 3.82 -8.191680184e-01 -8.191680184e-01 3.84 -7.848450918e-01 -7.848450918e-01 3.86 -7.298054053e-01 -7.298054053e-01 3.88 -6.270378082e-01 -6.270378082e-01 3.90 -5.322936258e-01 -5.322936258e-01 3.92 -5.090240491e-01 -5.090240491e-01 3.94 -4.863514441e-01 -4.863514441e-01 3.96 -4.642712887e-01 -4.642712887e-01 3.98 -4.427793282e-01 -4.427793282e-01 4.00 -4.218715321e-01 -4.218715321e-01 4.02 -4.015440468e-01 -4.015440468e-01 4.04 -3.817931437e-01 -3.817931437e-01 4.06 -3.626151648e-01 -3.626151648e-01 4.08 -3.440064651e-01 -3.440064651e-01 4.10 -3.259633539e-01 -3.259633539e-01 4.12 -3.084820351e-01 -3.084820351e-01 4.14 -2.915585472e-01 -2.915585472e-01 4.16 -2.751887045e-01 -2.751887045e-01 4.18 -2.593680408e-01 -2.593680408e-01 4.20 -2.440917548e-01 -2.440917548e-01 4.22 -2.293546608e-01 -2.293546608e-01 4.24 -2.151511424e-01 -2.151511424e-01 4.26 -2.014751135e-01 -2.014751135e-01 4.28 -1.883199841e-01 -1.883199841e-01 4.30 -1.756786334e-01 -1.756786334e-01 4.32 -1.635433906e-01 -1.635433906e-01 4.34 -1.519060228e-01 -1.519060228e-01 4.36 -1.407577310e-01 -1.407577310e-01 4.38 -1.300891536e-01 -1.300891536e-01 4.40 -1.198903787e-01 -1.198903787e-01 4.42 -1.098547985e-01 -1.098547985e-01 4.44 -9.656153815e-02 -9.656153815e-02 4.46 -7.286051223e-02 -7.286051223e-02 4.48 -3.423077518e-02 -3.423077518e-02 4.50 -1.529917059e-22 -1.530354621e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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