# 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 = CrFe2Ni # 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 2.803920988e+04 2.803920988e+04 1.12 2.254471926e+04 2.254471926e+04 1.14 1.819316254e+04 1.819316254e+04 1.16 1.473302833e+04 1.473302833e+04 1.18 1.197112552e+04 1.197112552e+04 1.20 9.758387631e+03 9.758387631e+03 1.22 7.979292602e+03 7.979292602e+03 1.24 6.543935599e+03 6.543935599e+03 1.26 5.382063175e+03 5.382063175e+03 1.28 4.438560932e+03 4.438560932e+03 1.30 3.670024734e+03 3.670024734e+03 1.32 3.042147289e+03 3.042147289e+03 1.34 2.527714866e+03 2.527714866e+03 1.36 2.105064864e+03 2.105064864e+03 1.38 1.756896093e+03 1.756896093e+03 1.40 1.469346161e+03 1.469346161e+03 1.42 1.231272407e+03 1.231272407e+03 1.44 1.033690722e+03 1.033690722e+03 1.46 8.693365546e+02 8.693365546e+02 1.48 7.323191093e+02 7.323191093e+02 1.50 6.178485901e+02 6.178485901e+02 1.52 5.220194249e+02 5.220194249e+02 1.54 4.416386987e+02 4.416386987e+02 1.56 3.740893613e+02 3.740893613e+02 1.58 3.172209407e+02 3.172209407e+02 1.60 2.692624985e+02 2.692624985e+02 1.62 2.287520008e+02 2.287520008e+02 1.64 1.944791555e+02 1.944791555e+02 1.66 1.654401578e+02 1.654401578e+02 1.68 1.408007740e+02 1.408007740e+02 1.70 1.198662796e+02 1.198662796e+02 1.72 1.020570755e+02 1.020570755e+02 1.74 8.688876366e+01 8.688876366e+01 1.76 7.395561910e+01 7.395561910e+01 1.78 6.291697898e+01 6.291697898e+01 1.80 5.348643140e+01 5.348643140e+01 1.82 4.542286245e+01 4.542286245e+01 1.84 3.852284325e+01 3.852284325e+01 1.86 3.261452547e+01 3.261452547e+01 1.88 2.755259752e+01 2.755259752e+01 1.90 2.321404487e+01 2.321404487e+01 1.92 1.949462108e+01 1.949462108e+01 1.94 1.630571266e+01 1.630571266e+01 1.96 1.357172432e+01 1.357172432e+01 1.98 1.122798859e+01 1.122798859e+01 2.00 9.219290510e+00 9.219290510e+00 2.02 7.498477109e+00 7.498477109e+00 2.04 6.025247257e+00 6.025247257e+00 2.06 4.765019903e+00 4.765019903e+00 2.08 3.688153504e+00 3.688153504e+00 2.10 2.769220397e+00 2.769220397e+00 2.12 1.986370584e+00 1.986370584e+00 2.14 1.320819255e+00 1.320819255e+00 2.16 7.564139313e-01 7.564139313e-01 2.18 2.792682476e-01 2.792682476e-01 2.20 -1.225481046e-01 -1.225481046e-01 2.22 -4.593140248e-01 -4.593140248e-01 2.24 -7.400235983e-01 -7.400235983e-01 2.26 -9.724763903e-01 -9.724763903e-01 2.28 -1.163405702e+00 -1.163405702e+00 2.30 -1.318625688e+00 -1.318625688e+00 2.32 -1.443150506e+00 -1.443150506e+00 2.34 -1.541296368e+00 -1.541296368e+00 2.36 -1.616825807e+00 -1.616825807e+00 2.38 -1.673071544e+00 -1.673071544e+00 2.40 -1.712930710e+00 -1.712930710e+00 2.42 -1.738912808e+00 -1.738912808e+00 2.44 -1.753186988e+00 -1.753186988e+00 2.46 -1.757622422e+00 -1.757622422e+00 2.48 -1.753822781e+00 -1.753822781e+00 2.50 -1.743155615e+00 -1.743155615e+00 2.52 -1.726777378e+00 -1.726777378e+00 2.54 -1.705654684e+00 -1.705654684e+00 2.56 -1.680582452e+00 -1.680582452e+00 2.58 -1.652232455e+00 -1.652232455e+00 2.60 -1.621215103e+00 -1.621215103e+00 2.62 -1.588034240e+00 -1.588034240e+00 2.64 -1.553107744e+00 -1.553107744e+00 2.66 -1.516842235e+00 -1.516842235e+00 2.68 -1.479607848e+00 -1.479607848e+00 2.70 -1.441721150e+00 -1.441721150e+00 2.72 -1.403436662e+00 -1.403436662e+00 2.74 -1.364956880e+00 -1.364956880e+00 2.76 -1.326453282e+00 -1.326453282e+00 2.78 -1.288070874e+00 -1.288070874e+00 2.80 -1.249931533e+00 -1.249931533e+00 2.82 -1.212136834e+00 -1.212136834e+00 2.84 -1.174770434e+00 -1.174770434e+00 2.86 -1.137900071e+00 -1.137900071e+00 2.88 -1.101584024e+00 -1.101584024e+00 2.90 -1.065883099e+00 -1.065883099e+00 2.92 -1.030852330e+00 -1.030852330e+00 2.94 -9.965397318e-01 -9.965397318e-01 2.96 -9.629871933e-01 -9.629871933e-01 2.98 -9.302312014e-01 -9.302312014e-01 3.00 -8.983034107e-01 -8.983034107e-01 3.02 -8.672310824e-01 -8.672310824e-01 3.04 -8.370374055e-01 -8.370374055e-01 3.06 -8.077417168e-01 -8.077417168e-01 3.08 -7.793596313e-01 -7.793596313e-01 3.10 -7.519030939e-01 -7.519030939e-01 3.12 -7.253803629e-01 -7.253803629e-01 3.14 -6.997959330e-01 -6.997959330e-01 3.16 -6.751503505e-01 -6.751503505e-01 3.18 -6.514364633e-01 -6.514364633e-01 3.20 -6.286376449e-01 -6.286376449e-01 3.22 -6.067335742e-01 -6.067335742e-01 3.24 -5.857004714e-01 -5.857004714e-01 3.26 -5.655107192e-01 -5.655107192e-01 3.28 -5.461324589e-01 -5.461324589e-01 3.30 -5.275291648e-01 -5.275291648e-01 3.32 -5.096622567e-01 -5.096622567e-01 3.34 -4.925006996e-01 -4.925006996e-01 3.36 -4.760129797e-01 -4.760129797e-01 3.38 -4.601639170e-01 -4.601639170e-01 3.40 -4.449143077e-01 -4.449143077e-01 3.42 -4.302205563e-01 -4.302205563e-01 3.44 -4.160343000e-01 -4.160343000e-01 3.46 -4.023043410e-01 -4.023043410e-01 3.48 -3.890024893e-01 -3.890024893e-01 3.50 -3.761178774e-01 -3.761178774e-01 3.52 -3.636406820e-01 -3.636406820e-01 3.54 -3.515617691e-01 -3.515617691e-01 3.56 -3.398726281e-01 -3.398726281e-01 3.58 -3.285653027e-01 -3.285653027e-01 3.60 -3.176323195e-01 -3.176323195e-01 3.62 -3.070666135e-01 -3.070666135e-01 3.64 -2.968614521e-01 -2.968614521e-01 3.66 -2.870103569e-01 -2.870103569e-01 3.68 -2.775070242e-01 -2.775070242e-01 3.70 -2.683452447e-01 -2.683452447e-01 3.72 -2.595188212e-01 -2.595188212e-01 3.74 -2.510214861e-01 -2.510214861e-01 3.76 -2.428468178e-01 -2.428468178e-01 3.78 -2.349881571e-01 -2.349881571e-01 3.80 -2.274385225e-01 -2.274385225e-01 3.82 -2.201905250e-01 -2.201905250e-01 3.84 -2.132362836e-01 -2.132362836e-01 3.86 -2.065673395e-01 -2.065673395e-01 3.88 -2.001745707e-01 -2.001745707e-01 3.90 -1.940481068e-01 -1.940481068e-01 3.92 -1.881772428e-01 -1.881772428e-01 3.94 -1.825503538e-01 -1.825503538e-01 3.96 -1.771548099e-01 -1.771548099e-01 3.98 -1.719768899e-01 -1.719768899e-01 4.00 -1.670016967e-01 -1.670016967e-01 4.02 -1.622130715e-01 -1.622130715e-01 4.04 -1.575935093e-01 -1.575935093e-01 4.06 -1.531259819e-01 -1.531259819e-01 4.08 -1.488022640e-01 -1.488022640e-01 4.10 -1.446172797e-01 -1.446172797e-01 4.12 -1.405661426e-01 -1.405661426e-01 4.14 -1.366441472e-01 -1.366441472e-01 4.16 -1.328467632e-01 -1.328467632e-01 4.18 -1.291696280e-01 -1.291696280e-01 4.20 -1.256085414e-01 -1.256085414e-01 4.22 -1.221594589e-01 -1.221594589e-01 4.24 -1.188184866e-01 -1.188184866e-01 4.26 -1.155818746e-01 -1.155818746e-01 4.28 -1.124460125e-01 -1.124460125e-01 4.30 -1.094074237e-01 -1.094074237e-01 4.32 -1.064627603e-01 -1.064627603e-01 4.34 -1.036087981e-01 -1.036087981e-01 4.36 -1.008424324e-01 -1.008424324e-01 4.38 -9.816067280e-02 -9.816067280e-02 4.40 -9.556063933e-02 -9.556063933e-02 4.42 -9.303955790e-02 -9.303955790e-02 4.44 -9.059475637e-02 -9.059475637e-02 4.46 -8.822366063e-02 -8.822366063e-02 4.48 -8.592348599e-02 -8.592348599e-02 4.50 -8.369037540e-02 -8.369037540e-02 4.52 -8.152041944e-02 -8.152041944e-02 4.54 -7.940997060e-02 -7.940997060e-02 4.56 -7.735563413e-02 -7.735563413e-02 4.58 -7.535425900e-02 -7.535425900e-02 4.60 -7.340292891e-02 -7.340292891e-02 4.62 -7.149895337e-02 -7.149895337e-02 4.64 -6.963985893e-02 -6.963985893e-02 4.66 -6.782338035e-02 -6.782338035e-02 4.68 -6.604745199e-02 -6.604745199e-02 4.70 -6.431019917e-02 -6.431019917e-02 4.72 -6.260992964e-02 -6.260992964e-02 4.74 -6.094512510e-02 -6.094512510e-02 4.76 -5.931443279e-02 -5.931443279e-02 4.78 -5.771665711e-02 -5.771665711e-02 4.80 -5.615075139e-02 -5.615075139e-02 4.82 -5.461580956e-02 -5.461580956e-02 4.84 -5.311105806e-02 -5.311105806e-02 4.86 -5.163584761e-02 -5.163584761e-02 4.88 -5.018964521e-02 -5.018964521e-02 4.90 -4.877202605e-02 -4.877202605e-02 4.92 -4.738266555e-02 -4.738266555e-02 4.94 -4.602133139e-02 -4.602133139e-02 4.96 -4.468787563e-02 -4.468787563e-02 4.98 -4.338222685e-02 -4.338222685e-02 5.00 -4.210438228e-02 -4.210438228e-02 5.02 -4.085440008e-02 -4.085440008e-02 5.04 -3.963239157e-02 -3.963239157e-02 5.06 -3.843851348e-02 -3.843851348e-02 5.08 -3.727296033e-02 -3.727296033e-02 5.10 -3.613595675e-02 -3.613595675e-02 5.12 -3.502774985e-02 -3.502774985e-02 5.14 -3.394860168e-02 -3.394860168e-02 5.16 -3.289874801e-02 -3.289874801e-02 5.18 -3.187767084e-02 -3.187767084e-02 5.20 -3.088417431e-02 -3.088417431e-02 5.22 -2.991714969e-02 -2.991714969e-02 5.24 -2.897559848e-02 -2.897559848e-02 5.26 -2.805862110e-02 -2.805862110e-02 5.28 -2.716540565e-02 -2.716540565e-02 5.30 -2.629521659e-02 -2.629521659e-02 5.32 -2.544738348e-02 -2.544738348e-02 5.34 -2.462128969e-02 -2.462128969e-02 5.36 -2.381636112e-02 -2.381636112e-02 5.38 -2.303205491e-02 -2.303205491e-02 5.40 -2.226784819e-02 -2.226784819e-02 5.42 -2.152322673e-02 -2.152322673e-02 5.44 -2.079767373e-02 -2.079767373e-02 5.46 -2.009065851e-02 -2.009065851e-02 5.48 -1.940162520e-02 -1.940162520e-02 5.50 -1.872998150e-02 -1.872998150e-02 5.52 -1.807508739e-02 -1.807508739e-02 5.54 -1.743624381e-02 -1.743624381e-02 5.56 -1.681268144e-02 -1.681268144e-02 5.58 -1.620354936e-02 -1.620354936e-02 5.60 -1.560790380e-02 -1.560790380e-02 5.62 -1.502469685e-02 -1.502469685e-02 5.64 -1.445276517e-02 -1.445276517e-02 5.66 -1.389081873e-02 -1.389081873e-02 5.68 -1.333742950e-02 -1.333742950e-02 5.70 -1.279102019e-02 -1.279102019e-02 5.72 -1.224985699e-02 -1.224985699e-02 5.74 -1.171279437e-02 -1.171279437e-02 5.76 -1.118024337e-02 -1.118024337e-02 5.78 -1.065284947e-02 -1.065284947e-02 5.80 -1.013128308e-02 -1.013128308e-02 5.82 -9.616235176e-03 -9.616235176e-03 5.84 -9.108412777e-03 -9.108412777e-03 5.86 -8.608534546e-03 -8.608534546e-03 5.88 -8.117326340e-03 -8.117326340e-03 5.90 -7.635516761e-03 -7.635516761e-03 5.92 -7.163832721e-03 -7.163832721e-03 5.94 -6.702994999e-03 -6.702994999e-03 5.96 -6.253713796e-03 -6.253713796e-03 5.98 -5.816684293e-03 -5.816684293e-03 6.00 -5.392582214e-03 -5.392582214e-03