# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgMo2Ta # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.015447029e+02 4.015447029e+02 1.30 3.720447180e+02 3.720447180e+02 1.32 3.447625000e+02 3.447625000e+02 1.34 3.195127645e+02 3.195127645e+02 1.36 2.961257234e+02 2.961257234e+02 1.38 2.744466305e+02 2.744466305e+02 1.40 2.543357935e+02 2.543357935e+02 1.42 2.356680999e+02 2.356680999e+02 1.44 2.183314450e+02 2.183314450e+02 1.46 2.022243914e+02 2.022243914e+02 1.48 1.872539911e+02 1.872539911e+02 1.50 1.733345548e+02 1.733345548e+02 1.52 1.603874810e+02 1.603874810e+02 1.54 1.483415925e+02 1.483415925e+02 1.56 1.371332272e+02 1.371332272e+02 1.58 1.267056355e+02 1.267056355e+02 1.60 1.170077263e+02 1.170077263e+02 1.62 1.079925592e+02 1.079925592e+02 1.64 9.961603613e+01 9.961603613e+01 1.66 9.183606120e+01 9.183606120e+01 1.68 8.461219596e+01 8.461219596e+01 1.70 7.790566112e+01 7.790566112e+01 1.72 7.167948154e+01 7.167948154e+01 1.74 6.589862791e+01 6.589862791e+01 1.76 6.053010088e+01 6.053010088e+01 1.78 5.554298243e+01 5.554298243e+01 1.80 5.090849875e+01 5.090849875e+01 1.82 4.660292303e+01 4.660292303e+01 1.84 4.260561129e+01 4.260561129e+01 1.86 3.889780956e+01 3.889780956e+01 1.88 3.545945488e+01 3.545945488e+01 1.90 3.227163204e+01 3.227163204e+01 1.92 2.931715102e+01 2.931715102e+01 1.94 2.658008162e+01 2.658008162e+01 1.96 2.404546681e+01 2.404546681e+01 1.98 2.169914352e+01 2.169914352e+01 2.00 1.952766089e+01 1.952766089e+01 2.02 1.751826332e+01 1.751826332e+01 2.04 1.565890377e+01 1.565890377e+01 2.06 1.393825960e+01 1.393825960e+01 2.08 1.234573800e+01 1.234573800e+01 2.10 1.087147491e+01 1.087147491e+01 2.12 9.506339230e+00 9.506339230e+00 2.14 8.241946670e+00 8.241946670e+00 2.16 7.070675644e+00 7.070675644e+00 2.18 5.985664846e+00 5.985664846e+00 2.20 4.980777971e+00 4.980777971e+00 2.22 4.050529436e+00 4.050529436e+00 2.24 3.189982790e+00 3.189982790e+00 2.26 2.394638065e+00 2.394638065e+00 2.28 1.660324523e+00 1.660324523e+00 2.30 9.831131737e-01 9.831131737e-01 2.32 3.592533279e-01 3.592533279e-01 2.34 -2.148586698e-01 -2.148586698e-01 2.36 -7.426852813e-01 -7.426852813e-01 2.38 -1.227530752e+00 -1.227530752e+00 2.40 -1.672512836e+00 -1.672512836e+00 2.42 -2.080534484e+00 -2.080534484e+00 2.44 -2.454263156e+00 -2.454263156e+00 2.46 -2.796123674e+00 -2.796123674e+00 2.48 -3.108303211e+00 -3.108303211e+00 2.50 -3.392760233e+00 -3.392760233e+00 2.52 -3.651161237e+00 -3.651161237e+00 2.54 -3.885141743e+00 -3.885141743e+00 2.56 -4.096219272e+00 -4.096219272e+00 2.58 -4.285754160e+00 -4.285754160e+00 2.60 -4.454977237e+00 -4.454977237e+00 2.62 -4.605015192e+00 -4.605015192e+00 2.64 -4.736781186e+00 -4.736781186e+00 2.66 -4.851156701e+00 -4.851156701e+00 2.68 -4.949268974e+00 -4.949268974e+00 2.70 -5.032057973e+00 -5.032057973e+00 2.72 -5.100426338e+00 -5.100426338e+00 2.74 -5.155275026e+00 -5.155275026e+00 2.76 -5.197500808e+00 -5.197500808e+00 2.78 -5.227992658e+00 -5.227992658e+00 2.80 -5.247583472e+00 -5.247583472e+00 2.82 -5.256706695e+00 -5.256706695e+00 2.84 -5.255635054e+00 -5.255635054e+00 2.86 -5.244695309e+00 -5.244695309e+00 2.88 -5.224267848e+00 -5.224267848e+00 2.90 -5.194786687e+00 -5.194786687e+00 2.92 -5.156739795e+00 -5.156739795e+00 2.94 -5.110667392e+00 -5.110667392e+00 2.96 -5.057156109e+00 -5.057156109e+00 2.98 -4.996827730e+00 -4.996827730e+00 3.00 -4.930322377e+00 -4.930322377e+00 3.02 -4.858277389e+00 -4.858277389e+00 3.04 -4.781304102e+00 -4.781304102e+00 3.06 -4.699966789e+00 -4.699966789e+00 3.08 -4.614763550e+00 -4.614763550e+00 3.10 -4.526115828e+00 -4.526115828e+00 3.12 -4.434363929e+00 -4.434363929e+00 3.14 -4.339771162e+00 -4.339771162e+00 3.16 -4.242531881e+00 -4.242531881e+00 3.18 -4.142786499e+00 -4.142786499e+00 3.20 -4.040638044e+00 -4.040638044e+00 3.22 -3.936170240e+00 -3.936170240e+00 3.24 -3.829465535e+00 -3.829465535e+00 3.26 -3.720622028e+00 -3.720622028e+00 3.28 -3.609768373e+00 -3.609768373e+00 3.30 -3.497075905e+00 -3.497075905e+00 3.32 -3.382767312e+00 -3.382767312e+00 3.34 -3.267124718e+00 -3.267124718e+00 3.36 -3.150535874e+00 -3.150535874e+00 3.38 -3.033256158e+00 -3.033256158e+00 3.40 -2.915564601e+00 -2.915564601e+00 3.42 -2.797767432e+00 -2.797767432e+00 3.44 -2.679853521e+00 -2.679853521e+00 3.46 -2.561863860e+00 -2.561863860e+00 3.48 -2.444065362e+00 -2.444065362e+00 3.50 -2.326892664e+00 -2.326892664e+00 3.52 -2.210883160e+00 -2.210883160e+00 3.54 -2.096613283e+00 -2.096613283e+00 3.56 -1.984642521e+00 -1.984642521e+00 3.58 -1.875469844e+00 -1.875469844e+00 3.60 -1.769504976e+00 -1.769504976e+00 3.62 -1.667054705e+00 -1.667054705e+00 3.64 -1.568322568e+00 -1.568322568e+00 3.66 -1.473419049e+00 -1.473419049e+00 3.68 -1.382378785e+00 -1.382378785e+00 3.70 -1.295181303e+00 -1.295181303e+00 3.72 -1.211772170e+00 -1.211772170e+00 3.74 -1.132082093e+00 -1.132082093e+00 3.76 -1.056042242e+00 -1.056042242e+00 3.78 -9.835947898e-01 -9.835947898e-01 3.80 -9.146983836e-01 -9.146983836e-01 3.82 -8.493288176e-01 -8.493288176e-01 3.84 -7.874756678e-01 -7.874756678e-01 3.86 -7.291359853e-01 -7.291359853e-01 3.88 -6.743063307e-01 -6.743063307e-01 3.90 -6.229744536e-01 -6.229744536e-01 3.92 -5.751116533e-01 -5.751116533e-01 3.94 -5.306675856e-01 -5.306675856e-01 3.96 -4.895658316e-01 -4.895658316e-01 3.98 -4.517034975e-01 -4.517034975e-01 4.00 -4.169522656e-01 -4.169522656e-01 4.02 -3.851614508e-01 -3.851614508e-01 4.04 -3.561623787e-01 -3.561623787e-01 4.06 -3.297734756e-01 -3.297734756e-01 4.08 -3.058052469e-01 -3.058052469e-01 4.10 -2.840645072e-01 -2.840645072e-01 4.12 -2.643626654e-01 -2.643626654e-01 4.14 -2.465148994e-01 -2.465148994e-01 4.16 -2.303447392e-01 -2.303447392e-01 4.18 -2.156858197e-01 -2.156858197e-01 4.20 -2.023833078e-01 -2.023833078e-01 4.22 -1.902946648e-01 -1.902946648e-01 4.24 -1.792898789e-01 -1.792898789e-01 4.26 -1.692512903e-01 -1.692512903e-01 4.28 -1.600731210e-01 -1.600731210e-01 4.30 -1.516608035e-01 -1.516608035e-01 4.32 -1.439301836e-01 -1.439301836e-01 4.34 -1.368066581e-01 -1.368066581e-01 4.36 -1.302242944e-01 -1.302242944e-01 4.38 -1.241249639e-01 -1.241249639e-01 4.40 -1.184575117e-01 -1.184575117e-01 4.42 -1.131769786e-01 -1.131769786e-01 4.44 -1.082438819e-01 -1.082438819e-01 4.46 -1.036235613e-01 -1.036235613e-01 4.48 -9.928558761e-02 -9.928558761e-02 4.50 -9.520323481e-02 -9.520323481e-02 4.52 -9.135301060e-02 -9.135301060e-02 4.54 -8.771424227e-02 -8.771424227e-02 4.56 -8.426871173e-02 -8.426871173e-02 4.58 -8.100033616e-02 -8.100033616e-02 4.60 -7.789488932e-02 -7.789488932e-02 4.62 -7.493975870e-02 -7.493975870e-02 4.64 -7.212373458e-02 -7.212373458e-02 4.66 -6.943682684e-02 -6.943682684e-02 4.68 -6.687010635e-02 -6.687010635e-02 4.70 -6.441556751e-02 -6.441556751e-02 4.72 -6.206600921e-02 -6.206600921e-02 4.74 -5.981493177e-02 -5.981493177e-02 4.76 -5.765644905e-02 -5.765644905e-02 4.78 -5.558521069e-02 -5.558521069e-02 4.80 -5.359612955e-02 -5.359612955e-02 4.82 -5.168518379e-02 -5.168518379e-02 4.84 -4.984800989e-02 -4.984800989e-02 4.86 -4.808079514e-02 -4.808079514e-02 4.88 -4.638003356e-02 -4.638003356e-02 4.90 -4.474246876e-02 -4.474246876e-02 4.92 -4.316506212e-02 -4.316506212e-02 4.94 -4.164496817e-02 -4.164496817e-02 4.96 -4.017951365e-02 -4.017951365e-02 4.98 -3.876617769e-02 -3.876617769e-02 5.00 -3.740257625e-02 -3.740257625e-02 5.02 -3.608644853e-02 -3.608644853e-02 5.04 -3.481564524e-02 -3.481564524e-02 5.06 -3.358811869e-02 -3.358811869e-02 5.08 -3.240191485e-02 -3.240191485e-02 5.10 -3.125516711e-02 -3.125516711e-02 5.12 -3.014609199e-02 -3.014609199e-02 5.14 -2.907298659e-02 -2.907298659e-02 5.16 -2.803422801e-02 -2.803422801e-02 5.18 -2.702827474e-02 -2.702827474e-02 5.20 -2.605366992e-02 -2.605366992e-02 5.22 -2.510904654e-02 -2.510904654e-02 5.24 -2.419313438e-02 -2.419313438e-02 5.26 -2.330476832e-02 -2.330476832e-02 5.28 -2.244289752e-02 -2.244289752e-02 5.30 -2.160659473e-02 -2.160659473e-02 5.32 -2.079506471e-02 -2.079506471e-02 5.34 -2.000765004e-02 -2.000765004e-02 5.36 -1.924380213e-02 -1.924380213e-02 5.38 -1.850313010e-02 -1.850313010e-02 5.40 -1.778539613e-02 -1.778539613e-02 5.42 -1.709047548e-02 -1.709047548e-02 5.44 -1.641833380e-02 -1.641833380e-02 5.46 -1.576899769e-02 -1.576899769e-02 5.48 -1.514252024e-02 -1.514252024e-02 5.50 -1.453894388e-02 -1.453894388e-02 5.52 -1.395826348e-02 -1.395826348e-02 5.54 -1.340039294e-02 -1.340039294e-02 5.56 -1.286513812e-02 -1.286513812e-02 5.58 -1.235217830e-02 -1.235217830e-02 5.60 -1.186105727e-02 -1.186105727e-02 5.62 -1.139118408e-02 -1.139118408e-02 5.64 -1.094184241e-02 -1.094184241e-02 5.66 -1.051220678e-02 -1.051220678e-02 5.68 -1.010136320e-02 -1.010136320e-02 5.70 -9.708332192e-03 -9.708332192e-03 5.72 -9.332091906e-03 -9.332091906e-03 5.74 -8.971599737e-03 -8.971599737e-03 5.76 -8.625811352e-03 -8.625811352e-03 5.78 -8.293696466e-03 -8.293696466e-03 5.80 -7.974251211e-03 -7.974251211e-03 5.82 -7.666507258e-03 -7.666507258e-03 5.84 -7.369538110e-03 -7.369538110e-03 5.86 -7.082463072e-03 -7.082463072e-03 5.88 -6.804449500e-03 -6.804449500e-03 5.90 -6.534713898e-03 -6.534713898e-03 5.92 -6.272522379e-03 -6.272522379e-03 5.94 -6.017190980e-03 -6.017190980e-03 5.96 -5.768086185e-03 -5.768086185e-03 5.98 -5.524625979e-03 -5.524625979e-03 6.00 -5.286281643e-03 -5.286281643e-03