# 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 = CrMn2Ni # 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 4.355108112e+02 4.355108112e+02 0.94 4.062894277e+02 4.062894277e+02 0.96 3.789207979e+02 3.789207979e+02 0.98 3.532907773e+02 3.532907773e+02 1.00 3.292921994e+02 3.292921994e+02 1.02 3.068244409e+02 3.068244409e+02 1.04 2.857930157e+02 2.857930157e+02 1.06 2.661091958e+02 2.661091958e+02 1.08 2.476896680e+02 2.476896680e+02 1.10 2.304562003e+02 2.304562003e+02 1.12 2.143353104e+02 2.143353104e+02 1.14 1.992579759e+02 1.992579759e+02 1.16 1.851593639e+02 1.851593639e+02 1.18 1.719785777e+02 1.719785777e+02 1.20 1.596584189e+02 1.596584189e+02 1.22 1.481451640e+02 1.481451640e+02 1.24 1.373883452e+02 1.373883452e+02 1.26 1.273405475e+02 1.273405475e+02 1.28 1.179572487e+02 1.179572487e+02 1.30 1.091966457e+02 1.091966457e+02 1.32 1.010194908e+02 1.010194908e+02 1.34 9.338893615e+01 9.338893615e+01 1.36 8.627038967e+01 8.627038967e+01 1.38 7.963137828e+01 7.963137828e+01 1.40 7.344142033e+01 7.344142033e+01 1.42 6.767190913e+01 6.767190913e+01 1.44 6.229601764e+01 6.229601764e+01 1.46 5.728857238e+01 5.728857238e+01 1.48 5.262594432e+01 5.262594432e+01 1.50 4.828595709e+01 4.828595709e+01 1.52 4.424780047e+01 4.424780047e+01 1.54 4.049194895e+01 4.049194895e+01 1.56 3.700008505e+01 3.700008505e+01 1.58 3.375502709e+01 3.375502709e+01 1.60 3.074066115e+01 3.074066115e+01 1.62 2.794187701e+01 2.794187701e+01 1.64 2.534450190e+01 2.534450190e+01 1.66 2.293522733e+01 2.293522733e+01 1.68 2.070157948e+01 2.070157948e+01 1.70 1.863187527e+01 1.863187527e+01 1.72 1.671517362e+01 1.671517362e+01 1.74 1.494122956e+01 1.494122956e+01 1.76 1.330045126e+01 1.330045126e+01 1.78 1.178385960e+01 1.178385960e+01 1.80 1.038305021e+01 1.038305021e+01 1.82 9.090157841e+00 9.090157841e+00 1.84 7.897822886e+00 7.897822886e+00 1.86 6.799159943e+00 6.799159943e+00 1.88 5.787728871e+00 5.787728871e+00 1.90 4.857523445e+00 4.857523445e+00 1.92 4.002943253e+00 4.002943253e+00 1.94 3.218747514e+00 3.218747514e+00 1.96 2.500032023e+00 2.500032023e+00 1.98 1.842208652e+00 1.842208652e+00 2.00 1.240986050e+00 1.240986050e+00 2.02 6.923514647e-01 6.923514647e-01 2.04 1.925536309e-01 1.925536309e-01 2.06 -2.619133432e-01 -2.619133432e-01 2.08 -6.743251374e-01 -6.743251374e-01 2.10 -1.047741491e+00 -1.047741491e+00 2.12 -1.385019628e+00 -1.385019628e+00 2.14 -1.688826888e+00 -1.688826888e+00 2.16 -1.961652602e+00 -1.961652602e+00 2.18 -2.205824903e+00 -2.205824903e+00 2.20 -2.423529422e+00 -2.423529422e+00 2.22 -2.616798248e+00 -2.616798248e+00 2.24 -2.787522774e+00 -2.787522774e+00 2.26 -2.937463295e+00 -2.937463295e+00 2.28 -3.068257598e+00 -3.068257598e+00 2.30 -3.181429010e+00 -3.181429010e+00 2.32 -3.278393936e+00 -3.278393936e+00 2.34 -3.360468926e+00 -3.360468926e+00 2.36 -3.428877287e+00 -3.428877287e+00 2.38 -3.484755283e+00 -3.484755283e+00 2.40 -3.529157930e+00 -3.529157930e+00 2.42 -3.563064432e+00 -3.563064432e+00 2.44 -3.587383262e+00 -3.587383262e+00 2.46 -3.602956920e+00 -3.602956920e+00 2.48 -3.610566384e+00 -3.610566384e+00 2.50 -3.610935278e+00 -3.610935278e+00 2.52 -3.604733435e+00 -3.604733435e+00 2.54 -3.592566763e+00 -3.592566763e+00 2.56 -3.574978488e+00 -3.574978488e+00 2.58 -3.552472831e+00 -3.552472831e+00 2.60 -3.525518926e+00 -3.525518926e+00 2.62 -3.494553022e+00 -3.494553022e+00 2.64 -3.459980549e+00 -3.459980549e+00 2.66 -3.422178064e+00 -3.422178064e+00 2.68 -3.381495078e+00 -3.381495078e+00 2.70 -3.338255779e+00 -3.338255779e+00 2.72 -3.292760645e+00 -3.292760645e+00 2.74 -3.245287965e+00 -3.245287965e+00 2.76 -3.196095265e+00 -3.196095265e+00 2.78 -3.145420653e+00 -3.145420653e+00 2.80 -3.093484076e+00 -3.093484076e+00 2.82 -3.040488504e+00 -3.040488504e+00 2.84 -2.986621044e+00 -2.986621044e+00 2.86 -2.932053983e+00 -2.932053983e+00 2.88 -2.876945767e+00 -2.876945767e+00 2.90 -2.821441922e+00 -2.821441922e+00 2.92 -2.765675917e+00 -2.765675917e+00 2.94 -2.709769976e+00 -2.709769976e+00 2.96 -2.653835836e+00 -2.653835836e+00 2.98 -2.597975459e+00 -2.597975459e+00 3.00 -2.542281703e+00 -2.542281703e+00 3.02 -2.486838950e+00 -2.486838950e+00 3.04 -2.431723689e+00 -2.431723689e+00 3.06 -2.377005069e+00 -2.377005069e+00 3.08 -2.322745417e+00 -2.322745417e+00 3.10 -2.269000718e+00 -2.269000718e+00 3.12 -2.215821069e+00 -2.215821069e+00 3.14 -2.163251104e+00 -2.163251104e+00 3.16 -2.111330387e+00 -2.111330387e+00 3.18 -2.060093790e+00 -2.060093790e+00 3.20 -2.009571830e+00 -2.009571830e+00 3.22 -1.959791006e+00 -1.959791006e+00 3.24 -1.910774092e+00 -1.910774092e+00 3.26 -1.862540426e+00 -1.862540426e+00 3.28 -1.815106175e+00 -1.815106175e+00 3.30 -1.768484584e+00 -1.768484584e+00 3.32 -1.722686203e+00 -1.722686203e+00 3.34 -1.677719105e+00 -1.677719105e+00 3.36 -1.633589091e+00 -1.633589091e+00 3.38 -1.590299872e+00 -1.590299872e+00 3.40 -1.547853250e+00 -1.547853250e+00 3.42 -1.506249274e+00 -1.506249274e+00 3.44 -1.465486402e+00 -1.465486402e+00 3.46 -1.425561634e+00 -1.425561634e+00 3.48 -1.386470647e+00 -1.386470647e+00 3.50 -1.348207919e+00 -1.348207919e+00 3.52 -1.310766841e+00 -1.310766841e+00 3.54 -1.274139824e+00 -1.274139824e+00 3.56 -1.238318397e+00 -1.238318397e+00 3.58 -1.203293298e+00 -1.203293298e+00 3.60 -1.169054562e+00 -1.169054562e+00 3.62 -1.135591593e+00 -1.135591593e+00 3.64 -1.102893243e+00 -1.102893243e+00 3.66 -1.070947878e+00 -1.070947878e+00 3.68 -1.039743438e+00 -1.039743438e+00 3.70 -1.009267496e+00 -1.009267496e+00 3.72 -9.795073145e-01 -9.795073145e-01 3.74 -9.504498895e-01 -9.504498895e-01 3.76 -9.220820000e-01 -9.220820000e-01 3.78 -8.943902486e-01 -8.943902486e-01 3.80 -8.673611008e-01 -8.673611008e-01 3.82 -8.409660764e-01 -8.409660764e-01 3.84 -8.139116536e-01 -8.139116536e-01 3.86 -7.801700622e-01 -7.801700622e-01 3.88 -7.313370156e-01 -7.313370156e-01 3.90 -6.873866291e-01 -6.873866291e-01 3.92 -6.661004591e-01 -6.661004591e-01 3.94 -6.453002766e-01 -6.453002766e-01 3.96 -6.249751421e-01 -6.249751421e-01 3.98 -6.051141888e-01 -6.051141888e-01 4.00 -5.857066406e-01 -5.857066406e-01 4.02 -5.667418297e-01 -5.667418297e-01 4.04 -5.482092138e-01 -5.482092138e-01 4.06 -5.300983930e-01 -5.300983930e-01 4.08 -5.123991256e-01 -5.123991256e-01 4.10 -4.951013450e-01 -4.951013450e-01 4.12 -4.781951754e-01 -4.781951754e-01 4.14 -4.616709482e-01 -4.616709482e-01 4.16 -4.455192183e-01 -4.455192183e-01 4.18 -4.297307804e-01 -4.297307804e-01 4.20 -4.142966859e-01 -4.142966859e-01 4.22 -3.992082601e-01 -3.992082601e-01 4.24 -3.844571191e-01 -3.844571191e-01 4.26 -3.700351882e-01 -3.700351882e-01 4.28 -3.559347188e-01 -3.559347188e-01 4.30 -3.421483074e-01 -3.421483074e-01 4.32 -3.286689134e-01 -3.286689134e-01 4.34 -3.154898772e-01 -3.154898772e-01 4.36 -3.026049380e-01 -3.026049380e-01 4.38 -2.900082512e-01 -2.900082512e-01 4.40 -2.776944044e-01 -2.776944044e-01 4.42 -2.650495164e-01 -2.650495164e-01 4.44 -2.446210006e-01 -2.446210006e-01 4.46 -1.982097571e-01 -1.982097571e-01 4.48 -1.049579800e-01 -1.049579800e-01 4.50 -1.561766978e-22 -1.562731003e-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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5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00