# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CrFe2Mn # 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 2022-05-24 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 3.272117374e+04 3.272117374e+04 1.12 2.631651861e+04 2.631651861e+04 1.14 2.124339891e+04 2.124339891e+04 1.16 1.720888302e+04 1.720888302e+04 1.18 1.398795356e+04 1.398795356e+04 1.20 1.140697798e+04 1.140697798e+04 1.22 9.331388487e+03 9.331388487e+03 1.24 7.656451440e+03 7.656451440e+03 1.26 6.300320231e+03 6.300320231e+03 1.28 5.198780800e+03 5.198780800e+03 1.30 4.301258957e+03 4.301258957e+03 1.32 3.567776660e+03 3.567776660e+03 1.34 2.966618956e+03 2.966618956e+03 1.36 2.472537796e+03 2.472537796e+03 1.38 2.065366268e+03 2.065366268e+03 1.40 1.728943931e+03 1.728943931e+03 1.42 1.450279374e+03 1.450279374e+03 1.44 1.218896562e+03 1.218896562e+03 1.46 1.026323307e+03 1.026323307e+03 1.48 8.656884235e+02 8.656884235e+02 1.50 7.314039174e+02 7.314039174e+02 1.52 6.189125457e+02 6.189125457e+02 1.54 5.244879063e+02 5.244879063e+02 1.56 4.450750589e+02 4.450750589e+02 1.58 3.781631844e+02 3.781631844e+02 1.60 3.216840611e+02 3.216840611e+02 1.62 2.739298012e+02 2.739298012e+02 1.64 2.334863091e+02 2.334863091e+02 1.66 1.991804400e+02 1.991804400e+02 1.68 1.700369362e+02 1.700369362e+02 1.70 1.452433703e+02 1.452433703e+02 1.72 1.241216919e+02 1.241216919e+02 1.74 1.061049796e+02 1.061049796e+02 1.76 9.071819484e+01 9.071819484e+01 1.78 7.756233958e+01 7.756233958e+01 1.80 6.630180912e+01 6.630180912e+01 1.82 5.665392570e+01 5.665392570e+01 1.84 4.838007729e+01 4.838007729e+01 1.86 4.127857823e+01 4.127857823e+01 1.88 3.517876707e+01 3.517876707e+01 1.90 2.993605368e+01 2.993605368e+01 1.92 2.542779645e+01 2.542779645e+01 1.94 2.154967265e+01 2.154967265e+01 1.96 1.821265027e+01 1.821265027e+01 1.98 1.534055065e+01 1.534055065e+01 2.00 1.286828061e+01 1.286828061e+01 2.02 1.074019681e+01 1.074019681e+01 2.04 8.908689413e+00 8.908689413e+00 2.06 7.332877081e+00 7.332877081e+00 2.08 5.977678943e+00 5.977678943e+00 2.10 4.812964467e+00 4.812964467e+00 2.12 3.812811850e+00 3.812811850e+00 2.14 2.954905934e+00 2.954905934e+00 2.16 2.220029110e+00 2.220029110e+00 2.18 1.591630161e+00 1.591630161e+00 2.20 1.055458792e+00 1.055458792e+00 2.22 5.992138680e-01 5.992138680e-01 2.24 2.121370981e-01 2.121370981e-01 2.26 -1.151125391e-01 -1.151125391e-01 2.28 -3.906170259e-01 -3.906170259e-01 2.30 -6.213719622e-01 -6.213719622e-01 2.32 -8.134277362e-01 -8.134277362e-01 2.34 -9.720105488e-01 -9.720105488e-01 2.36 -1.101682610e+00 -1.101682610e+00 2.38 -1.206479769e+00 -1.206479769e+00 2.40 -1.289918501e+00 -1.289918501e+00 2.42 -1.355054503e+00 -1.355054503e+00 2.44 -1.404539148e+00 -1.404539148e+00 2.46 -1.440667840e+00 -1.440667840e+00 2.48 -1.465421404e+00 -1.465421404e+00 2.50 -1.480501515e+00 -1.480501515e+00 2.52 -1.487360963e+00 -1.487360963e+00 2.54 -1.487229496e+00 -1.487229496e+00 2.56 -1.481135978e+00 -1.481135978e+00 2.58 -1.469960232e+00 -1.469960232e+00 2.60 -1.454497598e+00 -1.454497598e+00 2.62 -1.435416750e+00 -1.435416750e+00 2.64 -1.413282590e+00 -1.413282590e+00 2.66 -1.388632659e+00 -1.388632659e+00 2.68 -1.361953900e+00 -1.361953900e+00 2.70 -1.333667301e+00 -1.333667301e+00 2.72 -1.304120884e+00 -1.304120884e+00 2.74 -1.273600944e+00 -1.273600944e+00 2.76 -1.242354061e+00 -1.242354061e+00 2.78 -1.210592603e+00 -1.210592603e+00 2.80 -1.178498917e+00 -1.178498917e+00 2.82 -1.146228912e+00 -1.146228912e+00 2.84 -1.113915103e+00 -1.113915103e+00 2.86 -1.081669204e+00 -1.081669204e+00 2.88 -1.049589070e+00 -1.049589070e+00 2.90 -1.017771073e+00 -1.017771073e+00 2.92 -9.863022862e-01 -9.863022862e-01 2.94 -9.552596210e-01 -9.552596210e-01 2.96 -9.247110457e-01 -9.247110457e-01 2.98 -8.947166013e-01 -8.947166013e-01 3.00 -8.653292312e-01 -8.653292312e-01 3.02 -8.365954510e-01 -8.365954510e-01 3.04 -8.085558779e-01 -8.085558779e-01 3.06 -7.812456353e-01 -7.812456353e-01 3.08 -7.546946495e-01 -7.546946495e-01 3.10 -7.289278504e-01 -7.289278504e-01 3.12 -7.039652884e-01 -7.039652884e-01 3.14 -6.798221771e-01 -6.798221771e-01 3.16 -6.565088175e-01 -6.565088175e-01 3.18 -6.340269686e-01 -6.340269686e-01 3.20 -6.123681714e-01 -6.123681714e-01 3.22 -5.915195647e-01 -5.915195647e-01 3.24 -5.714641892e-01 -5.714641892e-01 3.26 -5.521806730e-01 -5.521806730e-01 3.28 -5.336428861e-01 -5.336428861e-01 3.30 -5.158195684e-01 -5.158195684e-01 3.32 -4.986769717e-01 -4.986769717e-01 3.34 -4.821884435e-01 -4.821884435e-01 3.36 -4.663264880e-01 -4.663264880e-01 3.38 -4.510596307e-01 -4.510596307e-01 3.40 -4.363520930e-01 -4.363520930e-01 3.42 -4.221634546e-01 -4.221634546e-01 3.44 -4.084483041e-01 -4.084483041e-01 3.46 -3.951581831e-01 -3.951581831e-01 3.48 -3.822673069e-01 -3.822673069e-01 3.50 -3.697669286e-01 -3.697669286e-01 3.52 -3.576491674e-01 -3.576491674e-01 3.54 -3.459066710e-01 -3.459066710e-01 3.56 -3.345325641e-01 -3.345325641e-01 3.58 -3.235203917e-01 -3.235203917e-01 3.60 -3.128640598e-01 -3.128640598e-01 3.62 -3.025577715e-01 -3.025577715e-01 3.64 -2.925959611e-01 -2.925959611e-01 3.66 -2.829732245e-01 -2.829732245e-01 3.68 -2.736842489e-01 -2.736842489e-01 3.70 -2.647237389e-01 -2.647237389e-01 3.72 -2.560863418e-01 -2.560863418e-01 3.74 -2.477665719e-01 -2.477665719e-01 3.76 -2.397587323e-01 -2.397587323e-01 3.78 -2.320568369e-01 -2.320568369e-01 3.80 -2.246545307e-01 -2.246545307e-01 3.82 -2.175450098e-01 -2.175450098e-01 3.84 -2.107209402e-01 -2.107209402e-01 3.86 -2.041743772e-01 -2.041743772e-01 3.88 -1.978966828e-01 -1.978966828e-01 3.90 -1.918784444e-01 -1.918784444e-01 3.92 -1.861093919e-01 -1.861093919e-01 3.94 -1.805783154e-01 -1.805783154e-01 3.96 -1.752729823e-01 -1.752729823e-01 3.98 -1.701800547e-01 -1.701800547e-01 4.00 -1.652850064e-01 -1.652850064e-01 4.02 -1.605720401e-01 -1.605720401e-01 4.04 -1.560240042e-01 -1.560240042e-01 4.06 -1.516242045e-01 -1.516242045e-01 4.08 -1.473646673e-01 -1.473646673e-01 4.10 -1.432405305e-01 -1.432405305e-01 4.12 -1.392471072e-01 -1.392471072e-01 4.14 -1.353798781e-01 -1.353798781e-01 4.16 -1.316344868e-01 -1.316344868e-01 4.18 -1.280067333e-01 -1.280067333e-01 4.20 -1.244925691e-01 -1.244925691e-01 4.22 -1.210880918e-01 -1.210880918e-01 4.24 -1.177895402e-01 -1.177895402e-01 4.26 -1.145932890e-01 -1.145932890e-01 4.28 -1.114958440e-01 -1.114958440e-01 4.30 -1.084938378e-01 -1.084938378e-01 4.32 -1.055840244e-01 -1.055840244e-01 4.34 -1.027632758e-01 -1.027632758e-01 4.36 -1.000285768e-01 -1.000285768e-01 4.38 -9.737702155e-02 -9.737702155e-02 4.40 -9.480580908e-02 -9.480580908e-02 4.42 -9.231223963e-02 -9.231223963e-02 4.44 -8.989371089e-02 -8.989371089e-02 4.46 -8.754771433e-02 -8.754771433e-02 4.48 -8.527152857e-02 -8.527152857e-02 4.50 -8.306136237e-02 -8.306136237e-02 4.52 -8.091336952e-02 -8.091336952e-02 4.54 -7.882396161e-02 -7.882396161e-02 4.56 -7.678979919e-02 -7.678979919e-02 4.58 -7.480778284e-02 -7.480778284e-02 4.60 -7.287504444e-02 -7.287504444e-02 4.62 -7.098893842e-02 -7.098893842e-02 4.64 -6.914703315e-02 -6.914703315e-02 4.66 -6.734710232e-02 -6.734710232e-02 4.68 -6.558711647e-02 -6.558711647e-02 4.70 -6.386523448e-02 -6.386523448e-02 4.72 -6.217979520e-02 -6.217979520e-02 4.74 -6.052930913e-02 -6.052930913e-02 4.76 -5.891245008e-02 -5.891245008e-02 4.78 -5.732804701e-02 -5.732804701e-02 4.80 -5.577507582e-02 -5.577507582e-02 4.82 -5.425265121e-02 -5.425265121e-02 4.84 -5.276001865e-02 -5.276001865e-02 4.86 -5.129654628e-02 -5.129654628e-02 4.88 -4.986171702e-02 -4.986171702e-02 4.90 -4.845512055e-02 -4.845512055e-02 4.92 -4.707644546e-02 -4.707644546e-02 4.94 -4.572547139e-02 -4.572547139e-02 4.96 -4.440206119e-02 -4.440206119e-02 4.98 -4.310615316e-02 -4.310615316e-02 5.00 -4.183775334e-02 -4.183775334e-02 5.02 -4.059692775e-02 -4.059692775e-02 5.04 -3.938379475e-02 -3.938379475e-02 5.06 -3.819851740e-02 -3.819851740e-02 5.08 -3.704129586e-02 -3.704129586e-02 5.10 -3.591235980e-02 -3.591235980e-02 5.12 -3.481196086e-02 -3.481196086e-02 5.14 -3.374036514e-02 -3.374036514e-02 5.16 -3.269781224e-02 -3.269781224e-02 5.18 -3.168379135e-02 -3.168379135e-02 5.20 -3.069711684e-02 -3.069711684e-02 5.22 -2.973668957e-02 -2.973668957e-02 5.24 -2.880151989e-02 -2.880151989e-02 5.26 -2.789071641e-02 -2.789071641e-02 5.28 -2.700347480e-02 -2.700347480e-02 5.30 -2.613906656e-02 -2.613906656e-02 5.32 -2.529682786e-02 -2.529682786e-02 5.34 -2.447614823e-02 -2.447614823e-02 5.36 -2.367645945e-02 -2.367645945e-02 5.38 -2.289722426e-02 -2.289722426e-02 5.40 -2.213792520e-02 -2.213792520e-02 5.42 -2.139805335e-02 -2.139805335e-02 5.44 -2.067709716e-02 -2.067709716e-02 5.46 -1.997453119e-02 -1.997453119e-02 5.48 -1.928980497e-02 -1.928980497e-02 5.50 -1.862233169e-02 -1.862233169e-02 5.52 -1.797147706e-02 -1.797147706e-02 5.54 -1.733654809e-02 -1.733654809e-02 5.56 -1.671678182e-02 -1.671678182e-02 5.58 -1.611133419e-02 -1.611133419e-02 5.60 -1.551926875e-02 -1.551926875e-02 5.62 -1.493954551e-02 -1.493954551e-02 5.64 -1.437100967e-02 -1.437100967e-02 5.66 -1.381238046e-02 -1.381238046e-02 5.68 -1.326223987e-02 -1.326223987e-02 5.70 -1.271902151e-02 -1.271902151e-02 5.72 -1.218100333e-02 -1.218100333e-02 5.74 -1.164704806e-02 -1.164704806e-02 5.76 -1.111756564e-02 -1.111756564e-02 5.78 -1.059319904e-02 -1.059319904e-02 5.80 -1.007461600e-02 -1.007461600e-02 5.82 -9.562504597e-03 -9.562504597e-03 5.84 -9.057568846e-03 -9.057568846e-03 5.86 -8.560524285e-03 -8.560524285e-03 5.88 -8.072093553e-03 -8.072093553e-03 5.90 -7.593001975e-03 -7.593001975e-03 5.92 -7.123973147e-03 -7.123973147e-03 5.94 -6.665724520e-03 -6.665724520e-03 5.96 -6.218962982e-03 -6.218962982e-03 5.98 -5.784380445e-03 -5.784380445e-03 6.00 -5.362649428e-03 -5.362649428e-03