# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Co # implementation = 2025--Sharifi-H--Cu-Ni-Co--LAMMPS--ipr1 # composition = Co2CuNi # 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 6.513744030e+02 6.513744030e+02 1.00 5.919523941e+02 5.919523941e+02 1.02 5.373083396e+02 5.373083396e+02 1.04 4.871740895e+02 4.871740895e+02 1.06 4.412714567e+02 4.412714567e+02 1.08 3.993203738e+02 3.993203738e+02 1.10 3.610445482e+02 3.610445482e+02 1.12 3.261753293e+02 3.261753293e+02 1.14 2.944542882e+02 2.944542882e+02 1.16 2.656348677e+02 2.656348677e+02 1.18 2.394833715e+02 2.394833715e+02 1.20 2.157794763e+02 2.157794763e+02 1.22 1.943163995e+02 1.943163995e+02 1.24 1.749008273e+02 1.749008273e+02 1.26 1.573526621e+02 1.573526621e+02 1.28 1.415046457e+02 1.415046457e+02 1.30 1.272018964e+02 1.272018964e+02 1.32 1.143013816e+02 1.143013816e+02 1.34 1.026713626e+02 1.026713626e+02 1.36 9.219081065e+01 9.219081065e+01 1.38 8.274880599e+01 8.274880599e+01 1.40 7.424393424e+01 7.424393424e+01 1.42 6.658368612e+01 6.658368612e+01 1.44 5.968386493e+01 5.968386493e+01 1.46 5.346800880e+01 5.346800880e+01 1.48 4.786682962e+01 4.786682962e+01 1.50 4.281767161e+01 4.281767161e+01 1.52 3.826399336e+01 3.826399336e+01 1.54 3.415487301e+01 3.415487301e+01 1.56 3.044453870e+01 3.044453870e+01 1.58 2.709192599e+01 2.709192599e+01 1.60 2.406026089e+01 2.406026089e+01 1.62 2.131666996e+01 2.131666996e+01 1.64 1.883181673e+01 1.883181673e+01 1.66 1.657956335e+01 1.657956335e+01 1.68 1.453665817e+01 1.453665817e+01 1.70 1.268244725e+01 1.268244725e+01 1.72 1.099860902e+01 1.099860902e+01 1.74 9.468911273e+00 9.468911273e+00 1.76 8.078968131e+00 8.078968131e+00 1.78 6.815955126e+00 6.815955126e+00 1.80 5.668368540e+00 5.668368540e+00 1.82 4.625883458e+00 4.625883458e+00 1.84 3.679253099e+00 3.679253099e+00 1.86 2.820197387e+00 2.820197387e+00 1.88 2.041262084e+00 2.041262084e+00 1.90 1.335649664e+00 1.335649664e+00 1.92 6.971303366e-01 6.971303366e-01 1.94 1.199941155e-01 1.199941155e-01 1.96 -4.009924149e-01 -4.009924149e-01 1.98 -8.706257942e-01 -8.706257942e-01 2.00 -1.293302019e+00 -1.293302019e+00 2.02 -1.673049784e+00 -1.673049784e+00 2.04 -2.013561035e+00 -2.013561035e+00 2.06 -2.318218900e+00 -2.318218900e+00 2.08 -2.590123311e+00 -2.590123311e+00 2.10 -2.832114529e+00 -2.832114529e+00 2.12 -3.046794662e+00 -3.046794662e+00 2.14 -3.236547435e+00 -3.236547435e+00 2.16 -3.403556317e+00 -3.403556317e+00 2.18 -3.549820934e+00 -3.549820934e+00 2.20 -3.677170967e+00 -3.677170967e+00 2.22 -3.787281301e+00 -3.787281301e+00 2.24 -3.881685729e+00 -3.881685729e+00 2.26 -3.961788683e+00 -3.961788683e+00 2.28 -4.028875959e+00 -4.028875959e+00 2.30 -4.084124311e+00 -4.084124311e+00 2.32 -4.128600945e+00 -4.128600945e+00 2.34 -4.163240436e+00 -4.163240436e+00 2.36 -4.188854309e+00 -4.188854309e+00 2.38 -4.206191561e+00 -4.206191561e+00 2.40 -4.215947771e+00 -4.215947771e+00 2.42 -4.218768763e+00 -4.218768763e+00 2.44 -4.215254021e+00 -4.215254021e+00 2.46 -4.205959857e+00 -4.205959857e+00 2.48 -4.191402388e+00 -4.191402388e+00 2.50 -4.172060288e+00 -4.172060288e+00 2.52 -4.148377372e+00 -4.148377372e+00 2.54 -4.120764988e+00 -4.120764988e+00 2.56 -4.089604265e+00 -4.089604265e+00 2.58 -4.055290369e+00 -4.055290369e+00 2.60 -4.018503644e+00 -4.018503644e+00 2.62 -3.978978768e+00 -3.978978768e+00 2.64 -3.936872017e+00 -3.936872017e+00 2.66 -3.892738515e+00 -3.892738515e+00 2.68 -3.846817227e+00 -3.846817227e+00 2.70 -3.799328844e+00 -3.799328844e+00 2.72 -3.750477068e+00 -3.750477068e+00 2.74 -3.700449792e+00 -3.700449792e+00 2.76 -3.649420215e+00 -3.649420215e+00 2.78 -3.597547872e+00 -3.597547872e+00 2.80 -3.544979593e+00 -3.544979593e+00 2.82 -3.491850407e+00 -3.491850407e+00 2.84 -3.438284370e+00 -3.438284370e+00 2.86 -3.384395347e+00 -3.384395347e+00 2.88 -3.330287735e+00 -3.330287735e+00 2.90 -3.276057143e+00 -3.276057143e+00 2.92 -3.221791021e+00 -3.221791021e+00 2.94 -3.167569246e+00 -3.167569246e+00 2.96 -3.113464672e+00 -3.113464672e+00 2.98 -3.059543641e+00 -3.059543641e+00 3.00 -3.005866456e+00 -3.005866456e+00 3.02 -2.952487827e+00 -2.952487827e+00 3.04 -2.899457284e+00 -2.899457284e+00 3.06 -2.846819559e+00 -2.846819559e+00 3.08 -2.794614946e+00 -2.794614946e+00 3.10 -2.742879632e+00 -2.742879632e+00 3.12 -2.691646010e+00 -2.691646010e+00 3.14 -2.640942958e+00 -2.640942958e+00 3.16 -2.590796118e+00 -2.590796118e+00 3.18 -2.541228133e+00 -2.541228133e+00 3.20 -2.492258884e+00 -2.492258884e+00 3.22 -2.443905703e+00 -2.443905703e+00 3.24 -2.396183572e+00 -2.396183572e+00 3.26 -2.349105303e+00 -2.349105303e+00 3.28 -2.302681718e+00 -2.302681718e+00 3.30 -2.256921800e+00 -2.256921800e+00 3.32 -2.211832848e+00 -2.211832848e+00 3.34 -2.167420611e+00 -2.167420611e+00 3.36 -2.123689416e+00 -2.123689416e+00 3.38 -2.080642289e+00 -2.080642289e+00 3.40 -2.038281066e+00 -2.038281066e+00 3.42 -1.996606494e+00 -1.996606494e+00 3.44 -1.955618327e+00 -1.955618327e+00 3.46 -1.915315414e+00 -1.915315414e+00 3.48 -1.875695782e+00 -1.875695782e+00 3.50 -1.836756711e+00 -1.836756711e+00 3.52 -1.798494804e+00 -1.798494804e+00 3.54 -1.760906050e+00 -1.760906050e+00 3.56 -1.723985882e+00 -1.723985882e+00 3.58 -1.687729237e+00 -1.687729237e+00 3.60 -1.652130597e+00 -1.652130597e+00 3.62 -1.617184042e+00 -1.617184042e+00 3.64 -1.582883284e+00 -1.582883284e+00 3.66 -1.549221710e+00 -1.549221710e+00 3.68 -1.516192417e+00 -1.516192417e+00 3.70 -1.483788239e+00 -1.483788239e+00 3.72 -1.452001777e+00 -1.452001777e+00 3.74 -1.420825431e+00 -1.420825431e+00 3.76 -1.390251416e+00 -1.390251416e+00 3.78 -1.360271794e+00 -1.360271794e+00 3.80 -1.330878488e+00 -1.330878488e+00 3.82 -1.302063309e+00 -1.302063309e+00 3.84 -1.273817972e+00 -1.273817972e+00 3.86 -1.246134118e+00 -1.246134118e+00 3.88 -1.219003329e+00 -1.219003329e+00 3.90 -1.192417150e+00 -1.192417150e+00 3.92 -1.166367105e+00 -1.166367105e+00 3.94 -1.140844710e+00 -1.140844710e+00 3.96 -1.115841496e+00 -1.115841496e+00 3.98 -1.091349017e+00 -1.091349017e+00 4.00 -1.067358865e+00 -1.067358865e+00 4.02 -1.043862687e+00 -1.043862687e+00 4.04 -1.020852188e+00 -1.020852188e+00 4.06 -9.983191452e-01 -9.983191452e-01 4.08 -9.762554138e-01 -9.762554138e-01 4.10 -9.546529326e-01 -9.546529326e-01 4.12 -9.335037285e-01 -9.335037285e-01 4.14 -9.127999184e-01 -9.127999184e-01 4.16 -8.925337109e-01 -8.925337109e-01 4.18 -8.726974055e-01 -8.726974055e-01 4.20 -8.532833920e-01 -8.532833920e-01 4.22 -8.342841474e-01 -8.342841474e-01 4.24 -8.156922339e-01 -8.156922339e-01 4.26 -7.974707955e-01 -7.974707955e-01 4.28 -7.789749634e-01 -7.789749634e-01 4.30 -7.578930208e-01 -7.578930208e-01 4.32 -7.311350810e-01 -7.311350810e-01 4.34 -7.108099355e-01 -7.108099355e-01 4.36 -6.944672987e-01 -6.944672987e-01 4.38 -6.784640883e-01 -6.784640883e-01 4.40 -6.627943452e-01 -6.627943452e-01 4.42 -6.474521521e-01 -6.474521521e-01 4.44 -6.324316350e-01 -6.324316350e-01 4.46 -6.177269653e-01 -6.177269653e-01 4.48 -6.033323628e-01 -6.033323628e-01 4.50 -5.892420987e-01 -5.892420987e-01 4.52 -5.754504997e-01 -5.754504997e-01 4.54 -5.619519518e-01 -5.619519518e-01 4.56 -5.487409046e-01 -5.487409046e-01 4.58 -5.358118756e-01 -5.358118756e-01 4.60 -5.231594546e-01 -5.231594546e-01 4.62 -5.107783075e-01 -5.107783075e-01 4.64 -4.986631798e-01 -4.986631798e-01 4.66 -4.868089004e-01 -4.868089004e-01 4.68 -4.752103836e-01 -4.752103836e-01 4.70 -4.638626315e-01 -4.638626315e-01 4.72 -4.527607356e-01 -4.527607356e-01 4.74 -4.418998772e-01 -4.418998772e-01 4.76 -4.312753278e-01 -4.312753278e-01 4.78 -4.208824487e-01 -4.208824487e-01 4.80 -4.107166902e-01 -4.107166902e-01 4.82 -4.007735898e-01 -4.007735898e-01 4.84 -3.910487711e-01 -3.910487711e-01 4.86 -3.815379413e-01 -3.815379413e-01 4.88 -3.722368892e-01 -3.722368892e-01 4.90 -3.631414827e-01 -3.631414827e-01 4.92 -3.533380200e-01 -3.533380200e-01 4.94 -3.314248365e-01 -3.314248365e-01 4.96 -2.691868116e-01 -2.691868116e-01 4.98 -1.380495228e-01 -1.380495228e-01 5.00 -8.477129341e-23 -8.480022695e-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 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