# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Al # implementation = 2025--Sharifi-H--Cu-Co-Al--LAMMPS--ipr1 # composition = AlCo2Cu # 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 5.641704743e+02 5.641704743e+02 1.00 5.134172337e+02 5.134172337e+02 1.02 4.666963462e+02 4.666963462e+02 1.04 4.238088108e+02 4.238088108e+02 1.06 3.845346975e+02 3.845346975e+02 1.08 3.486440030e+02 3.486440030e+02 1.10 3.159043175e+02 3.159043175e+02 1.12 2.860861710e+02 2.860861710e+02 1.14 2.589666895e+02 2.589666895e+02 1.16 2.343320192e+02 2.343320192e+02 1.18 2.119788612e+02 2.119788612e+02 1.20 1.917153625e+02 1.917153625e+02 1.22 1.733615423e+02 1.733615423e+02 1.24 1.567493919e+02 1.567493919e+02 1.26 1.417227322e+02 1.417227322e+02 1.28 1.281369040e+02 1.281369040e+02 1.30 1.158583587e+02 1.158583587e+02 1.32 1.047641653e+02 1.047641653e+02 1.34 9.474147830e+01 9.474147830e+01 1.36 8.568697558e+01 8.568697558e+01 1.38 7.750628034e+01 7.750628034e+01 1.40 7.011337873e+01 7.011337873e+01 1.42 6.343004471e+01 6.343004471e+01 1.44 5.738528403e+01 5.738528403e+01 1.46 5.191479119e+01 5.191479119e+01 1.48 4.696043366e+01 4.696043366e+01 1.50 4.246976793e+01 4.246976793e+01 1.52 3.839557164e+01 3.839557164e+01 1.54 3.469539973e+01 3.469539973e+01 1.56 3.133116700e+01 3.133116700e+01 1.58 2.826875763e+01 2.826875763e+01 1.60 2.547766030e+01 2.547766030e+01 1.62 2.293062937e+01 2.293062937e+01 1.64 2.060337113e+01 2.060337113e+01 1.66 1.847425377e+01 1.847425377e+01 1.68 1.652404119e+01 1.652404119e+01 1.70 1.473564861e+01 1.473564861e+01 1.72 1.309391906e+01 1.309391906e+01 1.74 1.158541999e+01 1.158541999e+01 1.76 1.019825726e+01 1.019825726e+01 1.78 8.921896318e+00 8.921896318e+00 1.80 7.746960935e+00 7.746960935e+00 1.82 6.665065439e+00 6.665065439e+00 1.84 5.668724765e+00 5.668724765e+00 1.86 4.751257060e+00 4.751257060e+00 1.88 3.906656190e+00 3.906656190e+00 1.90 3.129435215e+00 3.129435215e+00 1.92 2.414549270e+00 2.414549270e+00 1.94 1.757358728e+00 1.757358728e+00 1.96 1.153596273e+00 1.153596273e+00 1.98 5.993361126e-01 5.993361126e-01 2.00 9.095681346e-02 9.095681346e-02 2.02 -3.748944050e-01 -3.748944050e-01 2.04 -8.013162511e-01 -8.013162511e-01 2.06 -1.191120296e+00 -1.191120296e+00 2.08 -1.546891961e+00 -1.546891961e+00 2.10 -1.871040133e+00 -1.871040133e+00 2.12 -2.165809514e+00 -2.165809514e+00 2.14 -2.433291947e+00 -2.433291947e+00 2.16 -2.675437226e+00 -2.675437226e+00 2.18 -2.894062239e+00 -2.894062239e+00 2.20 -3.090858506e+00 -3.090858506e+00 2.22 -3.267401769e+00 -3.267401769e+00 2.24 -3.425160714e+00 -3.425160714e+00 2.26 -3.565504213e+00 -3.565504213e+00 2.28 -3.689708052e+00 -3.689708052e+00 2.30 -3.798961195e+00 -3.798961195e+00 2.32 -3.894371157e+00 -3.894371157e+00 2.34 -3.976938736e+00 -3.976938736e+00 2.36 -4.047552305e+00 -4.047552305e+00 2.38 -4.107045598e+00 -4.107045598e+00 2.40 -4.156205177e+00 -4.156205177e+00 2.42 -4.195772659e+00 -4.195772659e+00 2.44 -4.226446861e+00 -4.226446861e+00 2.46 -4.248885860e+00 -4.248885860e+00 2.48 -4.263709001e+00 -4.263709001e+00 2.50 -4.271498810e+00 -4.271498810e+00 2.52 -4.272802841e+00 -4.272802841e+00 2.54 -4.268135455e+00 -4.268135455e+00 2.56 -4.257979518e+00 -4.257979518e+00 2.58 -4.242850155e+00 -4.242850155e+00 2.60 -4.223693703e+00 -4.223693703e+00 2.62 -4.200138753e+00 -4.200138753e+00 2.64 -4.172408913e+00 -4.172408913e+00 2.66 -4.141290676e+00 -4.141290676e+00 2.68 -4.107126254e+00 -4.107126254e+00 2.70 -4.070232785e+00 -4.070232785e+00 2.72 -4.030903921e+00 -4.030903921e+00 2.74 -3.989411315e+00 -3.989411315e+00 2.76 -3.946006033e+00 -3.946006033e+00 2.78 -3.900919870e+00 -3.900919870e+00 2.80 -3.854366595e+00 -3.854366595e+00 2.82 -3.806543121e+00 -3.806543121e+00 2.84 -3.757630604e+00 -3.757630604e+00 2.86 -3.707795475e+00 -3.707795475e+00 2.88 -3.657190408e+00 -3.657190408e+00 2.90 -3.605955237e+00 -3.605955237e+00 2.92 -3.554217808e+00 -3.554217808e+00 2.94 -3.502094780e+00 -3.502094780e+00 2.96 -3.449692384e+00 -3.449692384e+00 2.98 -3.397107126e+00 -3.397107126e+00 3.00 -3.344426451e+00 -3.344426451e+00 3.02 -3.291683810e+00 -3.291683810e+00 3.04 -3.238377542e+00 -3.238377542e+00 3.06 -3.184334887e+00 -3.184334887e+00 3.08 -3.131981366e+00 -3.131981366e+00 3.10 -3.079886881e+00 -3.079886881e+00 3.12 -3.028065310e+00 -3.028065310e+00 3.14 -2.976555822e+00 -2.976555822e+00 3.16 -2.925392508e+00 -2.925392508e+00 3.18 -2.874604743e+00 -2.874604743e+00 3.20 -2.824217526e+00 -2.824217526e+00 3.22 -2.774251796e+00 -2.774251796e+00 3.24 -2.724724723e+00 -2.724724723e+00 3.26 -2.675649987e+00 -2.675649987e+00 3.28 -2.627038033e+00 -2.627038033e+00 3.30 -2.578896310e+00 -2.578896310e+00 3.32 -2.531229500e+00 -2.531229500e+00 3.34 -2.484039725e+00 -2.484039725e+00 3.36 -2.437326745e+00 -2.437326745e+00 3.38 -2.391088145e+00 -2.391088145e+00 3.40 -2.345319513e+00 -2.345319513e+00 3.42 -2.300014601e+00 -2.300014601e+00 3.44 -2.255165494e+00 -2.255165494e+00 3.46 -2.210762751e+00 -2.210762751e+00 3.48 -2.166795565e+00 -2.166795565e+00 3.50 -2.123251897e+00 -2.123251897e+00 3.52 -2.080118624e+00 -2.080118624e+00 3.54 -2.037381678e+00 -2.037381678e+00 3.56 -1.995026186e+00 -1.995026186e+00 3.58 -1.953036617e+00 -1.953036617e+00 3.60 -1.911396926e+00 -1.911396926e+00 3.62 -1.870090710e+00 -1.870090710e+00 3.64 -1.829101363e+00 -1.829101363e+00 3.66 -1.788412244e+00 -1.788412244e+00 3.68 -1.748006856e+00 -1.748006856e+00 3.70 -1.707869033e+00 -1.707869033e+00 3.72 -1.667983137e+00 -1.667983137e+00 3.74 -1.628334274e+00 -1.628334274e+00 3.76 -1.588908517e+00 -1.588908517e+00 3.78 -1.549693148e+00 -1.549693148e+00 3.80 -1.510676908e+00 -1.510676908e+00 3.82 -1.471850262e+00 -1.471850262e+00 3.84 -1.433205673e+00 -1.433205673e+00 3.86 -1.394737886e+00 -1.394737886e+00 3.88 -1.356444208e+00 -1.356444208e+00 3.90 -1.318324793e+00 -1.318324793e+00 3.92 -1.280382916e+00 -1.280382916e+00 3.94 -1.242625236e+00 -1.242625236e+00 3.96 -1.205062026e+00 -1.205062026e+00 3.98 -1.167707383e+00 -1.167707383e+00 4.00 -1.130579386e+00 -1.130579386e+00 4.02 -1.093700203e+00 -1.093700203e+00 4.04 -1.057096137e+00 -1.057096137e+00 4.06 -1.020797594e+00 -1.020797594e+00 4.08 -9.848389671e-01 -9.848389671e-01 4.10 -9.492584320e-01 -9.492584320e-01 4.12 -9.140976435e-01 -9.140976435e-01 4.14 -8.794013297e-01 -8.794013297e-01 4.16 -8.452167867e-01 -8.452167867e-01 4.18 -8.115932769e-01 -8.115932769e-01 4.20 -7.785813368e-01 -7.785813368e-01 4.22 -7.462320095e-01 -7.462320095e-01 4.24 -7.145960155e-01 -7.145960155e-01 4.26 -6.830848120e-01 -6.830848120e-01 4.28 -6.387583922e-01 -6.387583922e-01 4.30 -5.455870318e-01 -5.455870318e-01 4.32 -3.911404782e-01 -3.911404782e-01 4.34 -3.291360417e-01 -3.291360417e-01 4.36 -3.078021768e-01 -3.078021768e-01 4.38 -2.874439091e-01 -2.874439091e-01 4.40 -2.680476284e-01 -2.680476284e-01 4.42 -2.495947806e-01 -2.495947806e-01 4.44 -2.320622677e-01 -2.320622677e-01 4.46 -2.154229172e-01 -2.154229172e-01 4.48 -1.996460078e-01 -1.996460078e-01 4.50 -1.846978326e-01 -1.846978326e-01 4.52 -1.705422861e-01 -1.705422861e-01 4.54 -1.571414557e-01 -1.571414557e-01 4.56 -1.444562063e-01 -1.444562063e-01 4.58 -1.324467417e-01 -1.324467417e-01 4.60 -1.210731328e-01 -1.210731328e-01 4.62 -1.102958025e-01 -1.102958025e-01 4.64 -1.000759597e-01 -1.000759597e-01 4.66 -9.037597714e-02 -9.037597714e-02 4.68 -8.115970980e-02 -8.115970980e-02 4.70 -7.239275307e-02 -7.239275307e-02 4.72 -6.404264060e-02 -6.404264060e-02 4.74 -5.607898438e-02 -5.607898438e-02 4.76 -4.847356056e-02 -4.847356056e-02 4.78 -4.120034550e-02 -4.120034550e-02 4.80 -3.423550735e-02 -3.423550735e-02 4.82 -2.755735939e-02 -2.755735939e-02 4.84 -2.114628108e-02 -2.114628108e-02 4.86 -1.498461334e-02 -1.498461334e-02 4.88 -9.056534153e-03 -9.056534153e-03 4.90 -3.347920427e-03 -3.347920427e-03 4.92 2.031550045e-03 2.031550045e-03 4.94 5.352030054e-03 5.352030054e-03 4.96 2.341756212e-03 2.341756212e-03 4.98 -6.105337670e-03 -6.105337670e-03 5.00 -2.011857187e-22 -2.065571660e-22 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