# 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 = CoCrMn2 # 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 3.454604893e+04 3.454604893e+04 1.12 2.778892284e+04 2.778892284e+04 1.14 2.243614152e+04 2.243614152e+04 1.16 1.817880933e+04 1.817880933e+04 1.18 1.477963927e+04 1.477963927e+04 1.20 1.205552527e+04 1.205552527e+04 1.22 9.864552386e+03 9.864552386e+03 1.24 8.096264501e+03 8.096264501e+03 1.26 6.664339408e+03 6.664339408e+03 1.28 5.501048569e+03 5.501048569e+03 1.30 4.553047373e+03 4.553047373e+03 1.32 3.778165579e+03 3.778165579e+03 1.34 3.142947210e+03 3.142947210e+03 1.36 2.620756652e+03 2.620756652e+03 1.38 2.190317279e+03 2.190317279e+03 1.40 1.834578153e+03 1.834578153e+03 1.42 1.539830984e+03 1.539830984e+03 1.44 1.295020802e+03 1.295020802e+03 1.46 1.091206413e+03 1.091206413e+03 1.48 9.211355200e+02 9.211355200e+02 1.50 7.789095200e+02 7.789095200e+02 1.52 6.597173202e+02 6.597173202e+02 1.54 5.596244766e+02 5.596244766e+02 1.56 4.754050940e+02 4.754050940e+02 1.58 4.044075066e+02 4.044075066e+02 1.60 3.444471300e+02 3.444471300e+02 1.62 2.937197124e+02 2.937197124e+02 1.64 2.507311885e+02 2.507311885e+02 1.66 2.142418715e+02 2.142418715e+02 1.68 1.832209983e+02 1.832209983e+02 1.70 1.568097344e+02 1.568097344e+02 1.72 1.342911340e+02 1.342911340e+02 1.74 1.150655985e+02 1.150655985e+02 1.76 9.863058413e+01 9.863058413e+01 1.78 8.456390252e+01 8.456390252e+01 1.80 7.251034791e+01 7.251034791e+01 1.82 6.217063526e+01 6.217063526e+01 1.84 5.329205958e+01 5.329205958e+01 1.86 4.566094851e+01 4.566094851e+01 1.88 3.909642042e+01 3.909642042e+01 1.90 3.344515190e+01 3.344515190e+01 1.92 2.857702215e+01 2.857702215e+01 1.94 2.438130036e+01 2.438130036e+01 1.96 2.076346323e+01 2.076346323e+01 1.98 1.764262257e+01 1.764262257e+01 2.00 1.494962917e+01 1.494962917e+01 2.02 1.262533754e+01 1.262533754e+01 2.04 1.061910785e+01 1.061910785e+01 2.06 8.887438588e+00 8.887438588e+00 2.08 7.392975706e+00 7.392975706e+00 2.10 6.103612870e+00 6.103612870e+00 2.12 4.991709027e+00 4.991709027e+00 2.14 4.033450118e+00 4.033450118e+00 2.16 3.208309043e+00 3.208309043e+00 2.18 2.498587997e+00 2.498587997e+00 2.20 1.889030274e+00 1.889030274e+00 2.22 1.366451265e+00 1.366451265e+00 2.24 9.193232195e-01 9.193232195e-01 2.26 5.376297084e-01 5.376297084e-01 2.28 2.126930690e-01 2.126930690e-01 2.30 -6.300851062e-02 -6.300851062e-02 2.32 -2.959914139e-01 -2.959914139e-01 2.34 -4.918956216e-01 -4.918956216e-01 2.36 -6.556485477e-01 -6.556485477e-01 2.38 -7.916058526e-01 -7.916058526e-01 2.40 -9.035677249e-01 -9.035677249e-01 2.42 -9.948424583e-01 -9.948424583e-01 2.44 -1.068306887e+00 -1.068306887e+00 2.46 -1.126458233e+00 -1.126458233e+00 2.48 -1.171458572e+00 -1.171458572e+00 2.50 -1.205172959e+00 -1.205172959e+00 2.52 -1.229202089e+00 -1.229202089e+00 2.54 -1.244910253e+00 -1.244910253e+00 2.56 -1.253449360e+00 -1.253449360e+00 2.58 -1.255810464e+00 -1.255810464e+00 2.60 -1.252886889e+00 -1.252886889e+00 2.62 -1.245436710e+00 -1.245436710e+00 2.64 -1.234106204e+00 -1.234106204e+00 2.66 -1.219503620e+00 -1.219503620e+00 2.68 -1.202178626e+00 -1.202178626e+00 2.70 -1.182609021e+00 -1.182609021e+00 2.72 -1.161195191e+00 -1.161195191e+00 2.74 -1.138271681e+00 -1.138271681e+00 2.76 -1.114128828e+00 -1.114128828e+00 2.78 -1.089018710e+00 -1.089018710e+00 2.80 -1.063159755e+00 -1.063159755e+00 2.82 -1.036740702e+00 -1.036740702e+00 2.84 -1.009923992e+00 -1.009923992e+00 2.86 -9.828486675e-01 -9.828486675e-01 2.88 -9.556373228e-01 -9.556373228e-01 2.90 -9.284081134e-01 -9.284081134e-01 2.92 -9.012677229e-01 -9.012677229e-01 2.94 -8.743108330e-01 -8.743108330e-01 2.96 -8.476215283e-01 -8.476215283e-01 2.98 -8.212744763e-01 -8.212744763e-01 3.00 -7.953359109e-01 -7.953359109e-01 3.02 -7.698644416e-01 -7.698644416e-01 3.04 -7.449117120e-01 -7.449117120e-01 3.06 -7.205229233e-01 -7.205229233e-01 3.08 -6.967372407e-01 -6.967372407e-01 3.10 -6.735880960e-01 -6.735880960e-01 3.12 -6.511033995e-01 -6.511033995e-01 3.14 -6.293056708e-01 -6.293056708e-01 3.16 -6.082120485e-01 -6.082120485e-01 3.18 -5.878309445e-01 -5.878309445e-01 3.20 -5.681605298e-01 -5.681605298e-01 3.22 -5.491942728e-01 -5.491942728e-01 3.24 -5.309212783e-01 -5.309212783e-01 3.26 -5.133260379e-01 -5.133260379e-01 3.28 -4.963881475e-01 -4.963881475e-01 3.30 -4.800819941e-01 -4.800819941e-01 3.32 -4.643792733e-01 -4.643792733e-01 3.34 -4.492580278e-01 -4.492580278e-01 3.36 -4.346952117e-01 -4.346952117e-01 3.38 -4.206637666e-01 -4.206637666e-01 3.40 -4.071323379e-01 -4.071323379e-01 3.42 -3.940649762e-01 -3.940649762e-01 3.44 -3.814208263e-01 -3.814208263e-01 3.46 -3.691559811e-01 -3.691559811e-01 3.48 -3.572477954e-01 -3.572477954e-01 3.50 -3.456895755e-01 -3.456895755e-01 3.52 -3.344753148e-01 -3.344753148e-01 3.54 -3.235993861e-01 -3.235993861e-01 3.56 -3.130565033e-01 -3.130565033e-01 3.58 -3.028416781e-01 -3.028416781e-01 3.60 -2.929501720e-01 -2.929501720e-01 3.62 -2.833774445e-01 -2.833774445e-01 3.64 -2.741190974e-01 -2.741190974e-01 3.66 -2.651708166e-01 -2.651708166e-01 3.68 -2.565283108e-01 -2.565283108e-01 3.70 -2.481872479e-01 -2.481872479e-01 3.72 -2.401431893e-01 -2.401431893e-01 3.74 -2.323915230e-01 -2.323915230e-01 3.76 -2.249273942e-01 -2.249273942e-01 3.78 -2.177456351e-01 -2.177456351e-01 3.80 -2.108406937e-01 -2.108406937e-01 3.82 -2.042065611e-01 -2.042065611e-01 3.84 -1.978366985e-01 -1.978366985e-01 3.86 -1.917239629e-01 -1.917239629e-01 3.88 -1.858605326e-01 -1.858605326e-01 3.90 -1.802378323e-01 -1.802378323e-01 3.92 -1.748464570e-01 -1.748464570e-01 3.94 -1.696760965e-01 -1.696760965e-01 3.96 -1.647154589e-01 -1.647154589e-01 3.98 -1.599521945e-01 -1.599521945e-01 4.00 -1.553728186e-01 -1.553728186e-01 4.02 -1.509626351e-01 -1.509626351e-01 4.04 -1.467056597e-01 -1.467056597e-01 4.06 -1.425863260e-01 -1.425863260e-01 4.08 -1.385972674e-01 -1.385972674e-01 4.10 -1.347340365e-01 -1.347340365e-01 4.12 -1.309923410e-01 -1.309923410e-01 4.14 -1.273680381e-01 -1.273680381e-01 4.16 -1.238571291e-01 -1.238571291e-01 4.18 -1.204557558e-01 -1.204557558e-01 4.20 -1.171601952e-01 -1.171601952e-01 4.22 -1.139668555e-01 -1.139668555e-01 4.24 -1.108722716e-01 -1.108722716e-01 4.26 -1.078731011e-01 -1.078731011e-01 4.28 -1.049661198e-01 -1.049661198e-01 4.30 -1.021482179e-01 -1.021482179e-01 4.32 -9.941639589e-02 -9.941639589e-02 4.34 -9.676776090e-02 -9.676776090e-02 4.36 -9.419952285e-02 -9.419952285e-02 4.38 -9.170899085e-02 -9.170899085e-02 4.40 -8.929356965e-02 -8.929356965e-02 4.42 -8.695075630e-02 -8.695075630e-02 4.44 -8.467813678e-02 -8.467813678e-02 4.46 -8.247338283e-02 -8.247338283e-02 4.48 -8.033396366e-02 -8.033396366e-02 4.50 -7.825634012e-02 -7.825634012e-02 4.52 -7.623691940e-02 -7.623691940e-02 4.54 -7.427234945e-02 -7.427234945e-02 4.56 -7.235951068e-02 -7.235951068e-02 4.58 -7.049550779e-02 -7.049550779e-02 4.60 -6.867766155e-02 -6.867766155e-02 4.62 -6.690350078e-02 -6.690350078e-02 4.64 -6.517075421e-02 -6.517075421e-02 4.66 -6.347734259e-02 -6.347734259e-02 4.68 -6.182137069e-02 -6.182137069e-02 4.70 -6.020111943e-02 -6.020111943e-02 4.72 -5.861503806e-02 -5.861503806e-02 4.74 -5.706173641e-02 -5.706173641e-02 4.76 -5.553997708e-02 -5.553997708e-02 4.78 -5.404866783e-02 -5.404866783e-02 4.80 -5.258685390e-02 -5.258685390e-02 4.82 -5.115371042e-02 -5.115371042e-02 4.84 -4.974853489e-02 -4.974853489e-02 4.86 -4.837073963e-02 -4.837073963e-02 4.88 -4.701984432e-02 -4.701984432e-02 4.90 -4.569546860e-02 -4.569546860e-02 4.92 -4.439732464e-02 -4.439732464e-02 4.94 -4.312520980e-02 -4.312520980e-02 4.96 -4.187899931e-02 -4.187899931e-02 4.98 -4.065863900e-02 -4.065863900e-02 5.00 -3.946413800e-02 -3.946413800e-02 5.02 -3.829556158e-02 -3.829556158e-02 5.04 -3.715302392e-02 -3.715302392e-02 5.06 -3.603668094e-02 -3.603668094e-02 5.08 -3.494672321e-02 -3.494672321e-02 5.10 -3.388336881e-02 -3.388336881e-02 5.12 -3.284685626e-02 -3.284685626e-02 5.14 -3.183743748e-02 -3.183743748e-02 5.16 -3.085533911e-02 -3.085533911e-02 5.18 -2.990007835e-02 -2.990007835e-02 5.20 -2.897053448e-02 -2.897053448e-02 5.22 -2.806566849e-02 -2.806566849e-02 5.24 -2.718454490e-02 -2.718454490e-02 5.26 -2.632632113e-02 -2.632632113e-02 5.28 -2.549023700e-02 -2.549023700e-02 5.30 -2.467560416e-02 -2.467560416e-02 5.32 -2.388179552e-02 -2.388179552e-02 5.34 -2.310823469e-02 -2.310823469e-02 5.36 -2.235438542e-02 -2.235438542e-02 5.38 -2.161974107e-02 -2.161974107e-02 5.40 -2.090381402e-02 -2.090381402e-02 5.42 -2.020612512e-02 -2.020612512e-02 5.44 -1.952619314e-02 -1.952619314e-02 5.46 -1.886352419e-02 -1.886352419e-02 5.48 -1.821760121e-02 -1.821760121e-02 5.50 -1.758787335e-02 -1.758787335e-02 5.52 -1.697374544e-02 -1.697374544e-02 5.54 -1.637456746e-02 -1.637456746e-02 5.56 -1.578962392e-02 -1.578962392e-02 5.58 -1.521812335e-02 -1.521812335e-02 5.60 -1.465918774e-02 -1.465918774e-02 5.62 -1.411184196e-02 -1.411184196e-02 5.64 -1.357500319e-02 -1.357500319e-02 5.66 -1.304747040e-02 -1.304747040e-02 5.68 -1.252791378e-02 -1.252791378e-02 5.70 -1.201486417e-02 -1.201486417e-02 5.72 -1.150670629e-02 -1.150670629e-02 5.74 -1.100237464e-02 -1.100237464e-02 5.76 -1.050225830e-02 -1.050225830e-02 5.78 -1.000696548e-02 -1.000696548e-02 5.80 -9.517127738e-03 -9.517127738e-03 5.82 -9.033395815e-03 -9.033395815e-03 5.84 -8.556435473e-03 -8.556435473e-03 5.86 -8.086923315e-03 -8.086923315e-03 5.88 -7.625542618e-03 -7.625542618e-03 5.90 -7.172979161e-03 -7.172979161e-03 5.92 -6.729917057e-03 -6.729917057e-03 5.94 -6.297034578e-03 -6.297034578e-03 5.96 -5.874999985e-03 -5.874999985e-03 5.98 -5.464467362e-03 -5.464467362e-03 6.00 -5.066072438e-03 -5.066072438e-03