# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCr2Ni # 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 -1.642266290e+02 -1.642266290e+02 1.04 -1.595746603e+02 -1.595746603e+02 1.06 -1.551391320e+02 -1.551391320e+02 1.08 -1.510899065e+02 -1.510899065e+02 1.10 -1.472247226e+02 -1.472247226e+02 1.12 -1.432257490e+02 -1.432257490e+02 1.14 -1.390365995e+02 -1.390365995e+02 1.16 -1.347226753e+02 -1.347226753e+02 1.18 -1.304959761e+02 -1.304959761e+02 1.20 -1.266485870e+02 -1.266485870e+02 1.22 -1.232668646e+02 -1.232668646e+02 1.24 -1.202215201e+02 -1.202215201e+02 1.26 -1.173654514e+02 -1.173654514e+02 1.28 -1.146545394e+02 -1.146545394e+02 1.30 -1.119896059e+02 -1.119896059e+02 1.32 -1.092321033e+02 -1.092321033e+02 1.34 -1.062695532e+02 -1.062695532e+02 1.36 -1.031059829e+02 -1.031059829e+02 1.38 -9.982221295e+01 -9.982221295e+01 1.40 -9.644635021e+01 -9.644635021e+01 1.42 -9.289173252e+01 -9.289173252e+01 1.44 -8.905285629e+01 -8.905285629e+01 1.46 -8.487178313e+01 -8.487178313e+01 1.48 -8.035391413e+01 -8.035391413e+01 1.50 -7.555082297e+01 -7.555082297e+01 1.52 -7.053383739e+01 -7.053383739e+01 1.54 -6.536281574e+01 -6.536281574e+01 1.56 -6.006115644e+01 -6.006115644e+01 1.58 -5.462223841e+01 -5.462223841e+01 1.60 -4.905011204e+01 -4.905011204e+01 1.62 -4.340834336e+01 -4.340834336e+01 1.64 -3.782724848e+01 -3.782724848e+01 1.66 -3.244989612e+01 -3.244989612e+01 1.68 -2.736157178e+01 -2.736157178e+01 1.70 -2.258448506e+01 -2.258448506e+01 1.72 -1.813387736e+01 -1.813387736e+01 1.74 -1.402857946e+01 -1.402857946e+01 1.76 -1.027853227e+01 -1.027853227e+01 1.78 -7.048358556e+00 -7.048358556e+00 1.80 -4.703374696e+00 -4.703374696e+00 1.82 -3.094046978e+00 -3.094046978e+00 1.84 -2.031609899e+00 -2.031609899e+00 1.86 -1.378439265e+00 -1.378439265e+00 1.88 -1.025880427e+00 -1.025880427e+00 1.90 -8.851801560e-01 -8.851801560e-01 1.92 -8.865493622e-01 -8.865493622e-01 1.94 -9.818726112e-01 -9.818726112e-01 1.96 -1.139363986e+00 -1.139363986e+00 1.98 -1.336258130e+00 -1.336258130e+00 2.00 -1.557594751e+00 -1.557594751e+00 2.02 -1.793012380e+00 -1.793012380e+00 2.04 -2.033584640e+00 -2.033584640e+00 2.06 -2.273039313e+00 -2.273039313e+00 2.08 -2.506874480e+00 -2.506874480e+00 2.10 -2.731222308e+00 -2.731222308e+00 2.12 -2.943266467e+00 -2.943266467e+00 2.14 -3.140273300e+00 -3.140273300e+00 2.16 -3.319735725e+00 -3.319735725e+00 2.18 -3.480256402e+00 -3.480256402e+00 2.20 -3.619899725e+00 -3.619899725e+00 2.22 -3.738095668e+00 -3.738095668e+00 2.24 -3.837194407e+00 -3.837194407e+00 2.26 -3.920182213e+00 -3.920182213e+00 2.28 -3.988948817e+00 -3.988948817e+00 2.30 -4.044893978e+00 -4.044893978e+00 2.32 -4.090059374e+00 -4.090059374e+00 2.34 -4.126404607e+00 -4.126404607e+00 2.36 -4.155619086e+00 -4.155619086e+00 2.38 -4.178999455e+00 -4.178999455e+00 2.40 -4.197044046e+00 -4.197044046e+00 2.42 -4.209633050e+00 -4.209633050e+00 2.44 -4.216304853e+00 -4.216304853e+00 2.46 -4.216859332e+00 -4.216859332e+00 2.48 -4.212090393e+00 -4.212090393e+00 2.50 -4.202962542e+00 -4.202962542e+00 2.52 -4.189652027e+00 -4.189652027e+00 2.54 -4.171680239e+00 -4.171680239e+00 2.56 -4.148502985e+00 -4.148502985e+00 2.58 -4.119692290e+00 -4.119692290e+00 2.60 -4.085193294e+00 -4.085193294e+00 2.62 -4.045136815e+00 -4.045136815e+00 2.64 -3.999786297e+00 -3.999786297e+00 2.66 -3.949520244e+00 -3.949520244e+00 2.68 -3.894663469e+00 -3.894663469e+00 2.70 -3.835548582e+00 -3.835548582e+00 2.72 -3.772558044e+00 -3.772558044e+00 2.74 -3.706091900e+00 -3.706091900e+00 2.76 -3.636587064e+00 -3.636587064e+00 2.78 -3.564634154e+00 -3.564634154e+00 2.80 -3.491039328e+00 -3.491039328e+00 2.82 -3.416618788e+00 -3.416618788e+00 2.84 -3.342029472e+00 -3.342029472e+00 2.86 -3.267662849e+00 -3.267662849e+00 2.88 -3.193564156e+00 -3.193564156e+00 2.90 -3.119379857e+00 -3.119379857e+00 2.92 -3.044782298e+00 -3.044782298e+00 2.94 -2.969332715e+00 -2.969332715e+00 2.96 -2.892436136e+00 -2.892436136e+00 2.98 -2.813635205e+00 -2.813635205e+00 3.00 -2.732763313e+00 -2.732763313e+00 3.02 -2.649915650e+00 -2.649915650e+00 3.04 -2.565377387e+00 -2.565377387e+00 3.06 -2.479424921e+00 -2.479424921e+00 3.08 -2.392204139e+00 -2.392204139e+00 3.10 -2.303939785e+00 -2.303939785e+00 3.12 -2.215211479e+00 -2.215211479e+00 3.14 -2.126627919e+00 -2.126627919e+00 3.16 -2.038683256e+00 -2.038683256e+00 3.18 -1.951935281e+00 -1.951935281e+00 3.20 -1.866905116e+00 -1.866905116e+00 3.22 -1.783980663e+00 -1.783980663e+00 3.24 -1.703470181e+00 -1.703470181e+00 3.26 -1.625597664e+00 -1.625597664e+00 3.28 -1.550503933e+00 -1.550503933e+00 3.30 -1.478245614e+00 -1.478245614e+00 3.32 -1.408794255e+00 -1.408794255e+00 3.34 -1.342040545e+00 -1.342040545e+00 3.36 -1.277835973e+00 -1.277835973e+00 3.38 -1.216012115e+00 -1.216012115e+00 3.40 -1.156415701e+00 -1.156415701e+00 3.42 -1.099011210e+00 -1.099011210e+00 3.44 -1.043789180e+00 -1.043789180e+00 3.46 -9.907484082e-01 -9.907484082e-01 3.48 -9.398947280e-01 -9.398947280e-01 3.50 -8.912358439e-01 -8.912358439e-01 3.52 -8.447754549e-01 -8.447754549e-01 3.54 -8.005090469e-01 -8.005090469e-01 3.56 -7.584210727e-01 -7.584210727e-01 3.58 -7.184581837e-01 -7.184581837e-01 3.60 -6.805139944e-01 -6.805139944e-01 3.62 -6.444739939e-01 -6.444739939e-01 3.64 -6.102237426e-01 -6.102237426e-01 3.66 -5.776746829e-01 -5.776746829e-01 3.68 -5.467479617e-01 -5.467479617e-01 3.70 -5.173631436e-01 -5.173631436e-01 3.72 -4.894384018e-01 -4.894384018e-01 3.74 -4.628907395e-01 -4.628907395e-01 3.76 -4.376364279e-01 -4.376364279e-01 3.78 -4.135908340e-01 -4.135908340e-01 3.80 -3.906689489e-01 -3.906689489e-01 3.82 -3.687851974e-01 -3.687851974e-01 3.84 -3.478538071e-01 -3.478538071e-01 3.86 -3.277935631e-01 -3.277935631e-01 3.88 -3.085648940e-01 -3.085648940e-01 3.90 -2.901494708e-01 -2.901494708e-01 3.92 -2.725294818e-01 -2.725294818e-01 3.94 -2.556857078e-01 -2.556857078e-01 3.96 -2.395965905e-01 -2.395965905e-01 3.98 -2.242394964e-01 -2.242394964e-01 4.00 -2.095912137e-01 -2.095912137e-01 4.02 -1.956275947e-01 -1.956275947e-01 4.04 -1.823237374e-01 -1.823237374e-01 4.06 -1.696536536e-01 -1.696536536e-01 4.08 -1.575904724e-01 -1.575904724e-01 4.10 -1.461060716e-01 -1.461060716e-01 4.12 -1.351712036e-01 -1.351712036e-01 4.14 -1.247417654e-01 -1.247417654e-01 4.16 -1.147508386e-01 -1.147508386e-01 4.18 -1.051283153e-01 -1.051283153e-01 4.20 -9.582332690e-02 -9.582332690e-02 4.22 -8.698781102e-02 -8.698781102e-02 4.24 -7.868905726e-02 -7.868905726e-02 4.26 -7.050211441e-02 -7.050211441e-02 4.28 -6.201997139e-02 -6.201997139e-02 4.30 -5.296938733e-02 -5.296938733e-02 4.32 -4.321083138e-02 -4.321083138e-02 4.34 -3.273329554e-02 -3.273329554e-02 4.36 -2.164440691e-02 -2.164440691e-02 4.38 -1.015567397e-02 -1.015567397e-02 4.40 1.437338126e-03 1.437338126e-03 4.42 1.277928347e-02 1.277928347e-02 4.44 2.348284715e-02 2.348284715e-02 4.46 3.315966030e-02 3.315966030e-02 4.48 4.145232366e-02 4.145232366e-02 4.50 4.806539786e-02 4.806539786e-02 4.52 5.280106476e-02 5.280106476e-02 4.54 5.564518780e-02 5.564518780e-02 4.56 5.674991152e-02 5.674991152e-02 4.58 5.637600570e-02 5.637600570e-02 4.60 5.486137635e-02 5.486137635e-02 4.62 5.258601693e-02 5.258601693e-02 4.64 4.993428269e-02 4.993428269e-02 4.66 4.725915077e-02 4.725915077e-02 4.68 4.485355034e-02 4.485355034e-02 4.70 4.293174575e-02 4.293174575e-02 4.72 4.162197827e-02 4.162197827e-02 4.74 4.096948106e-02 4.096948106e-02 4.76 4.094879523e-02 4.094879523e-02 4.78 4.149388417e-02 4.149388417e-02 4.80 4.250797027e-02 4.250797027e-02 4.82 4.385275832e-02 4.385275832e-02 4.84 4.538257648e-02 4.538257648e-02 4.86 4.696148103e-02 4.696148103e-02 4.88 4.847298820e-02 4.847298820e-02 4.90 4.982588706e-02 4.982588706e-02 4.92 5.095628144e-02 5.095628144e-02 4.94 5.182591978e-02 5.182591978e-02 4.96 5.241806258e-02 5.241806258e-02 4.98 5.273777818e-02 5.273777818e-02 5.00 5.279933610e-02 5.279933610e-02 5.02 5.261816825e-02 5.261816825e-02 5.04 5.220664592e-02 5.220664592e-02 5.06 5.157161509e-02 5.157161509e-02 5.08 5.071835447e-02 5.071835447e-02 5.10 4.965253643e-02 4.965253643e-02 5.12 4.838092175e-02 4.838092175e-02 5.14 4.691191526e-02 4.691191526e-02 5.16 4.525619105e-02 4.525619105e-02 5.18 4.342708521e-02 4.342708521e-02 5.20 4.144094043e-02 4.144094043e-02 5.22 3.931720359e-02 3.931720359e-02 5.24 3.707830172e-02 3.707830172e-02 5.26 3.474822019e-02 3.474822019e-02 5.28 3.235170070e-02 3.235170070e-02 5.30 2.991368260e-02 2.991368260e-02 5.32 2.745866200e-02 2.745866200e-02 5.34 2.501031553e-02 2.501031553e-02 5.36 2.259116755e-02 2.259116755e-02 5.38 2.022254339e-02 2.022254339e-02 5.40 1.792464376e-02 1.792464376e-02 5.42 1.571670028e-02 1.571670028e-02 5.44 1.361729269e-02 1.361729269e-02 5.46 1.164447735e-02 1.164447735e-02 5.48 9.816095046e-03 9.816095046e-03 5.50 8.149808556e-03 8.149808556e-03 5.52 6.663064571e-03 6.663064571e-03 5.54 5.364914033e-03 5.364914033e-03 5.56 4.245265286e-03 4.245265286e-03 5.58 3.291598607e-03 3.291598607e-03 5.60 2.491130132e-03 2.491130132e-03 5.62 1.831052644e-03 1.831052644e-03 5.64 1.298373865e-03 1.298373865e-03 5.66 8.798784848e-04 8.798784848e-04 5.68 5.622055679e-04 5.622055679e-04 5.70 3.317371860e-04 3.317371860e-04 5.72 1.746872950e-04 1.746872950e-04 5.74 7.709649103e-05 7.709649103e-05 5.76 2.494303107e-05 2.494303107e-05 5.78 3.991895629e-06 3.991895629e-06 5.80 1.037898555e-08 1.037898555e-08 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00