# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Mn # implementation = 2025--Sharifi-H--Cu-Co-Mn--LAMMPS--ipr1 # composition = Co2CuMn # 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 1.073092953e+03 1.073092953e+03 1.00 9.730169687e+02 9.730169687e+02 1.02 8.794139318e+02 8.794139318e+02 1.04 7.926163607e+02 7.926163607e+02 1.06 7.127000674e+02 7.127000674e+02 1.08 6.395572605e+02 6.395572605e+02 1.10 5.729521264e+02 5.729521264e+02 1.12 5.125629693e+02 5.125629693e+02 1.14 4.580140551e+02 4.580140551e+02 1.16 4.088995607e+02 4.088995607e+02 1.18 3.648013865e+02 3.648013865e+02 1.20 3.253022350e+02 3.253022350e+02 1.22 2.899950219e+02 2.899950219e+02 1.24 2.584894422e+02 2.584894422e+02 1.26 2.304163499e+02 2.304163499e+02 1.28 2.054304518e+02 2.054304518e+02 1.30 1.832116955e+02 1.832116955e+02 1.32 1.634657040e+02 1.634657040e+02 1.34 1.459235418e+02 1.459235418e+02 1.36 1.303409633e+02 1.303409633e+02 1.38 1.164972944e+02 1.164972944e+02 1.40 1.041940756e+02 1.041940756e+02 1.42 9.325356062e+01 9.325356062e+01 1.44 8.351714109e+01 8.351714109e+01 1.46 7.484375631e+01 7.484375631e+01 1.48 6.710832604e+01 6.710832604e+01 1.50 6.020023649e+01 6.020023649e+01 1.52 5.402190302e+01 5.402190302e+01 1.54 4.848744528e+01 4.848744528e+01 1.56 4.352142862e+01 4.352142862e+01 1.58 3.905766278e+01 3.905766278e+01 1.60 3.503816434e+01 3.503816434e+01 1.62 3.141219311e+01 3.141219311e+01 1.64 2.813537782e+01 2.813537782e+01 1.66 2.516894444e+01 2.516894444e+01 1.68 2.247902622e+01 2.247902622e+01 1.70 2.003602857e+01 2.003602857e+01 1.72 1.781406474e+01 1.781406474e+01 1.74 1.579049052e+01 1.579049052e+01 1.76 1.394549541e+01 1.394549541e+01 1.78 1.226171148e+01 1.226171148e+01 1.80 1.072384227e+01 1.072384227e+01 1.82 9.318392005e+00 9.318392005e+00 1.84 8.033455876e+00 8.033455876e+00 1.86 6.858516943e+00 6.858516943e+00 1.88 5.784229270e+00 5.784229270e+00 1.90 4.802185919e+00 4.802185919e+00 1.92 3.904778407e+00 3.904778407e+00 1.94 3.085106644e+00 3.085106644e+00 1.96 2.336892868e+00 2.336892868e+00 1.98 1.654390088e+00 1.654390088e+00 2.00 1.032324921e+00 1.032324921e+00 2.02 4.658571509e-01 4.658571509e-01 2.04 -4.945706225e-02 -4.945706225e-02 2.06 -5.176988155e-01 -5.176988155e-01 2.08 -9.426172303e-01 -9.426172303e-01 2.10 -1.327639657e+00 -1.327639657e+00 2.12 -1.675859264e+00 -1.675859264e+00 2.14 -1.990118633e+00 -1.990118633e+00 2.16 -2.273044329e+00 -2.273044329e+00 2.18 -2.527063754e+00 -2.527063754e+00 2.20 -2.754419506e+00 -2.754419506e+00 2.22 -2.957184804e+00 -2.957184804e+00 2.24 -3.137277454e+00 -3.137277454e+00 2.26 -3.296471756e+00 -3.296471756e+00 2.28 -3.436409365e+00 -3.436409365e+00 2.30 -3.558609158e+00 -3.558609158e+00 2.32 -3.664475731e+00 -3.664475731e+00 2.34 -3.755276872e+00 -3.755276872e+00 2.36 -3.832140261e+00 -3.832140261e+00 2.38 -3.896113445e+00 -3.896113445e+00 2.40 -3.948173419e+00 -3.948173419e+00 2.42 -3.989230645e+00 -3.989230645e+00 2.44 -4.020114909e+00 -4.020114909e+00 2.46 -4.041573341e+00 -4.041573341e+00 2.48 -4.054306096e+00 -4.054306096e+00 2.50 -4.058972370e+00 -4.058972370e+00 2.52 -4.056193295e+00 -4.056193295e+00 2.54 -4.046554576e+00 -4.046554576e+00 2.56 -4.030608815e+00 -4.030608815e+00 2.58 -4.008877473e+00 -4.008877473e+00 2.60 -3.981852502e+00 -3.981852502e+00 2.62 -3.949997703e+00 -3.949997703e+00 2.64 -3.913749903e+00 -3.913749903e+00 2.66 -3.873520016e+00 -3.873520016e+00 2.68 -3.829694074e+00 -3.829694074e+00 2.70 -3.782634256e+00 -3.782634256e+00 2.72 -3.732679936e+00 -3.732679936e+00 2.74 -3.680148759e+00 -3.680148759e+00 2.76 -3.625337714e+00 -3.625337714e+00 2.78 -3.568524203e+00 -3.568524203e+00 2.80 -3.509967080e+00 -3.509967080e+00 2.82 -3.449907656e+00 -3.449907656e+00 2.84 -3.388570655e+00 -3.388570655e+00 2.86 -3.326165141e+00 -3.326165141e+00 2.88 -3.262885382e+00 -3.262885382e+00 2.90 -3.198911689e+00 -3.198911689e+00 2.92 -3.134411206e+00 -3.134411206e+00 2.94 -3.069538661e+00 -3.069538661e+00 2.96 -3.004437089e+00 -3.004437089e+00 2.98 -2.939238506e+00 -2.939238506e+00 3.00 -2.874064562e+00 -2.874064562e+00 3.02 -2.809113353e+00 -2.809113353e+00 3.04 -2.745538066e+00 -2.745538066e+00 3.06 -2.683754124e+00 -2.683754124e+00 3.08 -2.619647175e+00 -2.619647175e+00 3.10 -2.555987346e+00 -2.555987346e+00 3.12 -2.492899959e+00 -2.492899959e+00 3.14 -2.430449497e+00 -2.430449497e+00 3.16 -2.368694207e+00 -2.368694207e+00 3.18 -2.307686486e+00 -2.307686486e+00 3.20 -2.247473262e+00 -2.247473262e+00 3.22 -2.188096343e+00 -2.188096343e+00 3.24 -2.129592750e+00 -2.129592750e+00 3.26 -2.071995034e+00 -2.071995034e+00 3.28 -2.015331569e+00 -2.015331569e+00 3.30 -1.959626838e+00 -1.959626838e+00 3.32 -1.904901695e+00 -1.904901695e+00 3.34 -1.851173621e+00 -1.851173621e+00 3.36 -1.798456958e+00 -1.798456958e+00 3.38 -1.746763138e+00 -1.746763138e+00 3.40 -1.696100898e+00 -1.696100898e+00 3.42 -1.646476479e+00 -1.646476479e+00 3.44 -1.597893817e+00 -1.597893817e+00 3.46 -1.550354728e+00 -1.550354728e+00 3.48 -1.503859071e+00 -1.503859071e+00 3.50 -1.458404912e+00 -1.458404912e+00 3.52 -1.413988673e+00 -1.413988673e+00 3.54 -1.370605271e+00 -1.370605271e+00 3.56 -1.328248252e+00 -1.328248252e+00 3.58 -1.286909911e+00 -1.286909911e+00 3.60 -1.246581407e+00 -1.246581407e+00 3.62 -1.207252874e+00 -1.207252874e+00 3.64 -1.168913515e+00 -1.168913515e+00 3.66 -1.131551699e+00 -1.131551699e+00 3.68 -1.095155045e+00 -1.095155045e+00 3.70 -1.059710506e+00 -1.059710506e+00 3.72 -1.025204441e+00 -1.025204441e+00 3.74 -9.916226894e-01 -9.916226894e-01 3.76 -9.589506321e-01 -9.589506321e-01 3.78 -9.271732581e-01 -9.271732581e-01 3.80 -8.962752205e-01 -8.962752205e-01 3.82 -8.662408917e-01 -8.662408917e-01 3.84 -8.370544154e-01 -8.370544154e-01 3.86 -8.086997555e-01 -8.086997555e-01 3.88 -7.811607423e-01 -7.811607423e-01 3.90 -7.544211155e-01 -7.544211155e-01 3.92 -7.284645659e-01 -7.284645659e-01 3.94 -7.032747730e-01 -7.032747730e-01 3.96 -6.788354407e-01 -6.788354407e-01 3.98 -6.551303293e-01 -6.551303293e-01 4.00 -6.321432856e-01 -6.321432856e-01 4.02 -6.098582690e-01 -6.098582690e-01 4.04 -5.882593741e-01 -5.882593741e-01 4.06 -5.673308509e-01 -5.673308509e-01 4.08 -5.470571210e-01 -5.470571210e-01 4.10 -5.274227901e-01 -5.274227901e-01 4.12 -5.084126580e-01 -5.084126580e-01 4.14 -4.900117249e-01 -4.900117249e-01 4.16 -4.722051949e-01 -4.722051949e-01 4.18 -4.549784764e-01 -4.549784764e-01 4.20 -4.383171808e-01 -4.383171808e-01 4.22 -4.222071184e-01 -4.222071184e-01 4.24 -4.066342931e-01 -4.066342931e-01 4.26 -3.914170863e-01 -3.914170863e-01 4.28 -3.730933938e-01 -3.730933938e-01 4.30 -3.408882200e-01 -3.408882200e-01 4.32 -2.843808570e-01 -2.843808570e-01 4.34 -2.573859662e-01 -2.573859662e-01 4.36 -2.463027771e-01 -2.463027771e-01 4.38 -2.356160380e-01 -2.356160380e-01 4.40 -2.253147829e-01 -2.253147829e-01 4.42 -2.153881325e-01 -2.153881325e-01 4.44 -2.058252993e-01 -2.058252993e-01 4.46 -1.966155956e-01 -1.966155956e-01 4.48 -1.877484429e-01 -1.877484429e-01 4.50 -1.792133839e-01 -1.792133839e-01 4.52 -1.710000953e-01 -1.710000953e-01 4.54 -1.630984026e-01 -1.630984026e-01 4.56 -1.554982945e-01 -1.554982945e-01 4.58 -1.481899391e-01 -1.481899391e-01 4.60 -1.411636981e-01 -1.411636981e-01 4.62 -1.344101411e-01 -1.344101411e-01 4.64 -1.279200587e-01 -1.279200587e-01 4.66 -1.216844735e-01 -1.216844735e-01 4.68 -1.156946495e-01 -1.156946495e-01 4.70 -1.099420988e-01 -1.099420988e-01 4.72 -1.044185868e-01 -1.044185868e-01 4.74 -9.911613413e-02 -9.911613413e-02 4.76 -9.402701698e-02 -9.402701698e-02 4.78 -8.914376520e-02 -8.914376520e-02 4.80 -8.445915827e-02 -8.445915827e-02 4.82 -7.996621988e-02 -7.996621988e-02 4.84 -7.565821099e-02 -7.565821099e-02 4.86 -7.152862196e-02 -7.152862196e-02 4.88 -6.757116399e-02 -6.757116399e-02 4.90 -6.377976003e-02 -6.377976003e-02 4.92 -6.006081933e-02 -6.006081933e-02 4.94 -5.537090096e-02 -5.537090096e-02 4.96 -4.688378756e-02 -4.688378756e-02 4.98 -2.843711534e-02 -2.843711534e-02 5.00 -7.545189004e-23 -7.548500689e-23 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