# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Mn # implementation = 2025--Sharifi-H--Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuMn2Ni # 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 2025-07-01 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 1.496382742e+03 1.496382742e+03 1.00 1.365522432e+03 1.365522432e+03 1.02 1.237145696e+03 1.237145696e+03 1.04 1.114378218e+03 1.114378218e+03 1.06 9.991282423e+02 9.991282423e+02 1.08 8.924405260e+02 8.924405260e+02 1.10 7.947501588e+02 7.947501588e+02 1.12 7.060705999e+02 7.060705999e+02 1.14 6.261322663e+02 6.261322663e+02 1.16 5.544839933e+02 5.544839933e+02 1.18 4.905665163e+02 4.905665163e+02 1.20 4.337650994e+02 4.337650994e+02 1.22 3.834465923e+02 3.834465923e+02 1.24 3.389849228e+02 3.389849228e+02 1.26 2.997780748e+02 2.997780748e+02 1.28 2.652588128e+02 2.652588128e+02 1.30 2.349008840e+02 2.349008840e+02 1.32 2.082213022e+02 2.082213022e+02 1.34 1.852525619e+02 1.852525619e+02 1.36 1.659822306e+02 1.659822306e+02 1.38 1.493333971e+02 1.493333971e+02 1.40 1.346130575e+02 1.346130575e+02 1.42 1.213970884e+02 1.213970884e+02 1.44 1.094262204e+02 1.094262204e+02 1.46 9.853857534e+01 9.853857534e+01 1.48 8.862709479e+01 8.862709479e+01 1.50 7.961361896e+01 7.961361896e+01 1.52 7.143386386e+01 7.143386386e+01 1.54 6.402933124e+01 6.402933124e+01 1.56 5.734347553e+01 5.734347553e+01 1.58 5.132034205e+01 5.132034205e+01 1.60 4.590446017e+01 4.590446017e+01 1.62 4.104137152e+01 4.104137152e+01 1.64 3.667843302e+01 3.667843302e+01 1.66 3.276558285e+01 3.276558285e+01 1.68 2.925594808e+01 2.925594808e+01 1.70 2.610625332e+01 2.610625332e+01 1.72 2.327703463e+01 2.327703463e+01 1.74 2.073268439e+01 2.073268439e+01 1.76 1.844136592e+01 1.844136592e+01 1.78 1.637486768e+01 1.637486768e+01 1.80 1.450831457e+01 1.450831457e+01 1.82 1.281984319e+01 1.281984319e+01 1.84 1.129031862e+01 1.129031862e+01 1.86 9.903030058e+00 9.903030058e+00 1.88 8.643384662e+00 8.643384662e+00 1.90 7.498616111e+00 7.498616111e+00 1.92 6.457487362e+00 6.457487362e+00 1.94 5.510067551e+00 5.510067551e+00 1.96 4.647536270e+00 4.647536270e+00 1.98 3.862022081e+00 3.862022081e+00 2.00 3.146584604e+00 3.146584604e+00 2.02 2.495103255e+00 2.495103255e+00 2.04 1.902037401e+00 1.902037401e+00 2.06 1.362359494e+00 1.362359494e+00 2.08 8.715048311e-01 8.715048311e-01 2.10 4.253264277e-01 4.253264277e-01 2.12 2.005427606e-02 2.005427606e-02 2.14 -3.477412607e-01 -3.477412607e-01 2.16 -6.811871485e-01 -6.811871485e-01 2.18 -9.831480222e-01 -9.831480222e-01 2.20 -1.256234660e+00 -1.256234660e+00 2.22 -1.502824367e+00 -1.502824367e+00 2.24 -1.725083990e+00 -1.725083990e+00 2.26 -1.924990488e+00 -1.924990488e+00 2.28 -2.104349417e+00 -2.104349417e+00 2.30 -2.264811499e+00 -2.264811499e+00 2.32 -2.407887468e+00 -2.407887468e+00 2.34 -2.534961413e+00 -2.534961413e+00 2.36 -2.647302757e+00 -2.647302757e+00 2.38 -2.746076992e+00 -2.746076992e+00 2.40 -2.832355392e+00 -2.832355392e+00 2.42 -2.907111406e+00 -2.907111406e+00 2.44 -2.971190218e+00 -2.971190218e+00 2.46 -3.025364257e+00 -3.025364257e+00 2.48 -3.070356602e+00 -3.070356602e+00 2.50 -3.106844403e+00 -3.106844403e+00 2.52 -3.135461155e+00 -3.135461155e+00 2.54 -3.156799908e+00 -3.156799908e+00 2.56 -3.171416200e+00 -3.171416200e+00 2.58 -3.179830660e+00 -3.179830660e+00 2.60 -3.182531312e+00 -3.182531312e+00 2.62 -3.179975621e+00 -3.179975621e+00 2.64 -3.172592251e+00 -3.172592251e+00 2.66 -3.160782602e+00 -3.160782602e+00 2.68 -3.144922138e+00 -3.144922138e+00 2.70 -3.125361533e+00 -3.125361533e+00 2.72 -3.102427723e+00 -3.102427723e+00 2.74 -3.076424887e+00 -3.076424887e+00 2.76 -3.047635450e+00 -3.047635450e+00 2.78 -3.016321164e+00 -3.016321164e+00 2.80 -2.982724308e+00 -2.982724308e+00 2.82 -2.947069037e+00 -2.947069037e+00 2.84 -2.909562862e+00 -2.909562862e+00 2.86 -2.870398214e+00 -2.870398214e+00 2.88 -2.829754028e+00 -2.829754028e+00 2.90 -2.787797247e+00 -2.787797247e+00 2.92 -2.744684186e+00 -2.744684186e+00 2.94 -2.700561678e+00 -2.700561678e+00 2.96 -2.655567983e+00 -2.655567983e+00 2.98 -2.609833450e+00 -2.609833450e+00 3.00 -2.563480965e+00 -2.563480965e+00 3.02 -2.516625989e+00 -2.516625989e+00 3.04 -2.469374353e+00 -2.469374353e+00 3.06 -2.421827396e+00 -2.421827396e+00 3.08 -2.374091310e+00 -2.374091310e+00 3.10 -2.326246932e+00 -2.326246932e+00 3.12 -2.278375980e+00 -2.278375980e+00 3.14 -2.230554044e+00 -2.230554044e+00 3.16 -2.182850714e+00 -2.182850714e+00 3.18 -2.135329885e+00 -2.135329885e+00 3.20 -2.088050089e+00 -2.088050089e+00 3.22 -2.041064848e+00 -2.041064848e+00 3.24 -1.994423024e+00 -1.994423024e+00 3.26 -1.948169182e+00 -1.948169182e+00 3.28 -1.902343943e+00 -1.902343943e+00 3.30 -1.856984324e+00 -1.856984324e+00 3.32 -1.812124073e+00 -1.812124073e+00 3.34 -1.767793973e+00 -1.767793973e+00 3.36 -1.724022122e+00 -1.724022122e+00 3.38 -1.680834182e+00 -1.680834182e+00 3.40 -1.638253572e+00 -1.638253572e+00 3.42 -1.596301636e+00 -1.596301636e+00 3.44 -1.554997748e+00 -1.554997748e+00 3.46 -1.514359382e+00 -1.514359382e+00 3.48 -1.474402139e+00 -1.474402139e+00 3.50 -1.435139753e+00 -1.435139753e+00 3.52 -1.396584074e+00 -1.396584074e+00 3.54 -1.358745048e+00 -1.358745048e+00 3.56 -1.321630714e+00 -1.321630714e+00 3.58 -1.285247203e+00 -1.285247203e+00 3.60 -1.249598777e+00 -1.249598777e+00 3.62 -1.214687889e+00 -1.214687889e+00 3.64 -1.180515268e+00 -1.180515268e+00 3.66 -1.147080034e+00 -1.147080034e+00 3.68 -1.114379826e+00 -1.114379826e+00 3.70 -1.082410949e+00 -1.082410949e+00 3.72 -1.051168519e+00 -1.051168519e+00 3.74 -1.020646610e+00 -1.020646610e+00 3.76 -9.908383925e-01 -9.908383925e-01 3.78 -9.617362633e-01 -9.617362633e-01 3.80 -9.333319576e-01 -9.333319576e-01 3.82 -9.056166505e-01 -9.056166505e-01 3.84 -8.785810418e-01 -8.785810418e-01 3.86 -8.522154296e-01 -8.522154296e-01 3.88 -8.265097715e-01 -8.265097715e-01 3.90 -8.014537380e-01 -8.014537380e-01 3.92 -7.770367575e-01 -7.770367575e-01 3.94 -7.532480566e-01 -7.532480566e-01 3.96 -7.300766955e-01 -7.300766955e-01 3.98 -7.075116003e-01 -7.075116003e-01 4.00 -6.855415923e-01 -6.855415923e-01 4.02 -6.641554150e-01 -6.641554150e-01 4.04 -6.433417587e-01 -6.433417587e-01 4.06 -6.230892835e-01 -6.230892835e-01 4.08 -6.033866405e-01 -6.033866405e-01 4.10 -5.842224914e-01 -5.842224914e-01 4.12 -5.655855257e-01 -5.655855257e-01 4.14 -5.474644779e-01 -5.474644779e-01 4.16 -5.298481420e-01 -5.298481420e-01 4.18 -5.127253857e-01 -5.127253857e-01 4.20 -4.960851625e-01 -4.960851625e-01 4.22 -4.799165231e-01 -4.799165231e-01 4.24 -4.642086263e-01 -4.642086263e-01 4.26 -4.487447048e-01 -4.487447048e-01 4.28 -4.293875336e-01 -4.293875336e-01 4.30 -3.944901046e-01 -3.944901046e-01 4.32 -3.365548148e-01 -3.365548148e-01 4.34 -3.093790115e-01 -3.093790115e-01 4.36 -2.989806029e-01 -2.989806029e-01 4.38 -2.888859844e-01 -2.888859844e-01 4.40 -2.790876396e-01 -2.790876396e-01 4.42 -2.695781802e-01 -2.695781802e-01 4.44 -2.603503481e-01 -2.603503481e-01 4.46 -2.513970164e-01 -2.513970164e-01 4.48 -2.427111910e-01 -2.427111910e-01 4.50 -2.342860112e-01 -2.342860112e-01 4.52 -2.261147501e-01 -2.261147501e-01 4.54 -2.181908150e-01 -2.181908150e-01 4.56 -2.105077472e-01 -2.105077472e-01 4.58 -2.030592220e-01 -2.030592220e-01 4.60 -1.958390483e-01 -1.958390483e-01 4.62 -1.888411676e-01 -1.888411676e-01 4.64 -1.820596534e-01 -1.820596534e-01 4.66 -1.754887104e-01 -1.754887104e-01 4.68 -1.691226731e-01 -1.691226731e-01 4.70 -1.629560048e-01 -1.629560048e-01 4.72 -1.569832957e-01 -1.569832957e-01 4.74 -1.511992621e-01 -1.511992621e-01 4.76 -1.455987443e-01 -1.455987443e-01 4.78 -1.401767049e-01 -1.401767049e-01 4.80 -1.349282275e-01 -1.349282275e-01 4.82 -1.298485142e-01 -1.298485142e-01 4.84 -1.249328840e-01 -1.249328840e-01 4.86 -1.201767709e-01 -1.201767709e-01 4.88 -1.155757215e-01 -1.155757215e-01 4.90 -1.111253934e-01 -1.111253934e-01 4.92 -1.065014391e-01 -1.065014391e-01 4.94 -9.778594112e-02 -9.778594112e-02 4.96 -7.600583980e-02 -7.600583980e-02 4.98 -3.515077079e-02 -3.515077079e-02 5.00 -1.724519258e-24 -1.707561875e-24 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 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 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