# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--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 2024-03-01 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 -3.836662616e+02 -3.836662616e+02 1.04 -3.614607024e+02 -3.614607024e+02 1.06 -3.407291640e+02 -3.407291640e+02 1.08 -3.215369942e+02 -3.215369942e+02 1.10 -3.036149551e+02 -3.036149551e+02 1.12 -2.865784205e+02 -2.865784205e+02 1.14 -2.703041911e+02 -2.703041911e+02 1.16 -2.547908576e+02 -2.547908576e+02 1.18 -2.401836517e+02 -2.401836517e+02 1.20 -2.267078187e+02 -2.267078187e+02 1.22 -2.143829250e+02 -2.143829250e+02 1.24 -2.030162128e+02 -2.030162128e+02 1.26 -1.924227349e+02 -1.924227349e+02 1.28 -1.825323307e+02 -1.825323307e+02 1.30 -1.732198408e+02 -1.732198408e+02 1.32 -1.643207535e+02 -1.643207535e+02 1.34 -1.556966044e+02 -1.556966044e+02 1.36 -1.473254562e+02 -1.473254562e+02 1.38 -1.392621463e+02 -1.392621463e+02 1.40 -1.315088173e+02 -1.315088173e+02 1.42 -1.239531046e+02 -1.239531046e+02 1.44 -1.164675335e+02 -1.164675335e+02 1.46 -1.089747951e+02 -1.089747951e+02 1.48 -1.014609635e+02 -1.014609635e+02 1.50 -9.395829657e+01 -9.395829657e+01 1.52 -8.651880140e+01 -8.651880140e+01 1.54 -7.918301637e+01 -7.918301637e+01 1.56 -7.195501863e+01 -7.195501863e+01 1.58 -6.480886743e+01 -6.480886743e+01 1.60 -5.772929639e+01 -5.772929639e+01 1.62 -5.076054573e+01 -5.076054573e+01 1.64 -4.401402133e+01 -4.401402133e+01 1.66 -3.761739983e+01 -3.761739983e+01 1.68 -3.164239730e+01 -3.164239730e+01 1.70 -2.609766741e+01 -2.609766741e+01 1.72 -2.098489112e+01 -2.098489112e+01 1.74 -1.630944289e+01 -1.630944289e+01 1.76 -1.207098535e+01 -1.207098535e+01 1.78 -8.392992218e+00 -8.392992218e+00 1.80 -5.668236722e+00 -5.668236722e+00 1.82 -3.770214738e+00 -3.770214738e+00 1.84 -2.490797452e+00 -2.490797452e+00 1.86 -1.677457497e+00 -1.677457497e+00 1.88 -1.209745426e+00 -1.209745426e+00 1.90 -9.894217457e-01 -9.894217457e-01 1.92 -9.389182370e-01 -9.389182370e-01 1.94 -1.003518251e+00 -1.003518251e+00 1.96 -1.145590703e+00 -1.145590703e+00 1.98 -1.336980354e+00 -1.336980354e+00 2.00 -1.557594817e+00 -1.557594817e+00 2.02 -1.793012487e+00 -1.793012487e+00 2.04 -2.033584593e+00 -2.033584593e+00 2.06 -2.273039271e+00 -2.273039271e+00 2.08 -2.506874418e+00 -2.506874418e+00 2.10 -2.731222284e+00 -2.731222284e+00 2.12 -2.943266475e+00 -2.943266475e+00 2.14 -3.140273224e+00 -3.140273224e+00 2.16 -3.319735683e+00 -3.319735683e+00 2.18 -3.480256588e+00 -3.480256588e+00 2.20 -3.619899747e+00 -3.619899747e+00 2.22 -3.738095688e+00 -3.738095688e+00 2.24 -3.837194357e+00 -3.837194357e+00 2.26 -3.920182250e+00 -3.920182250e+00 2.28 -3.988948714e+00 -3.988948714e+00 2.30 -4.044893959e+00 -4.044893959e+00 2.32 -4.090059425e+00 -4.090059425e+00 2.34 -4.126404554e+00 -4.126404554e+00 2.36 -4.155619007e+00 -4.155619007e+00 2.38 -4.178999492e+00 -4.178999492e+00 2.40 -4.197044067e+00 -4.197044067e+00 2.42 -4.209633036e+00 -4.209633036e+00 2.44 -4.216304889e+00 -4.216304889e+00 2.46 -4.216859329e+00 -4.216859329e+00 2.48 -4.212090456e+00 -4.212090456e+00 2.50 -4.202962657e+00 -4.202962657e+00 2.52 -4.189652033e+00 -4.189652033e+00 2.54 -4.171680255e+00 -4.171680255e+00 2.56 -4.148503031e+00 -4.148503031e+00 2.58 -4.119692250e+00 -4.119692250e+00 2.60 -4.085193276e+00 -4.085193276e+00 2.62 -4.045136854e+00 -4.045136854e+00 2.64 -3.999786336e+00 -3.999786336e+00 2.66 -3.949520297e+00 -3.949520297e+00 2.68 -3.894663552e+00 -3.894663552e+00 2.70 -3.835548582e+00 -3.835548582e+00 2.72 -3.772558040e+00 -3.772558040e+00 2.74 -3.706091875e+00 -3.706091875e+00 2.76 -3.636587154e+00 -3.636587154e+00 2.78 -3.564634135e+00 -3.564634135e+00 2.80 -3.491039336e+00 -3.491039336e+00 2.82 -3.416618836e+00 -3.416618836e+00 2.84 -3.342029445e+00 -3.342029445e+00 2.86 -3.267662934e+00 -3.267662934e+00 2.88 -3.193564131e+00 -3.193564131e+00 2.90 -3.119379995e+00 -3.119379995e+00 2.92 -3.044782324e+00 -3.044782324e+00 2.94 -2.969332647e+00 -2.969332647e+00 2.96 -2.892436122e+00 -2.892436122e+00 2.98 -2.813635211e+00 -2.813635211e+00 3.00 -2.732763344e+00 -2.732763344e+00 3.02 -2.649915693e+00 -2.649915693e+00 3.04 -2.565377400e+00 -2.565377400e+00 3.06 -2.479424914e+00 -2.479424914e+00 3.08 -2.392204117e+00 -2.392204117e+00 3.10 -2.303939779e+00 -2.303939779e+00 3.12 -2.215211470e+00 -2.215211470e+00 3.14 -2.126627912e+00 -2.126627912e+00 3.16 -2.038683258e+00 -2.038683258e+00 3.18 -1.951935289e+00 -1.951935289e+00 3.20 -1.866905124e+00 -1.866905124e+00 3.22 -1.783980696e+00 -1.783980696e+00 3.24 -1.703470180e+00 -1.703470180e+00 3.26 -1.625597632e+00 -1.625597632e+00 3.28 -1.550503920e+00 -1.550503920e+00 3.30 -1.478245641e+00 -1.478245641e+00 3.32 -1.408794249e+00 -1.408794249e+00 3.34 -1.342040524e+00 -1.342040524e+00 3.36 -1.277835997e+00 -1.277835997e+00 3.38 -1.216012120e+00 -1.216012120e+00 3.40 -1.156415736e+00 -1.156415736e+00 3.42 -1.099011210e+00 -1.099011210e+00 3.44 -1.043789185e+00 -1.043789185e+00 3.46 -9.907483994e-01 -9.907483994e-01 3.48 -9.398947225e-01 -9.398947225e-01 3.50 -8.912358451e-01 -8.912358451e-01 3.52 -8.447754724e-01 -8.447754724e-01 3.54 -8.005090387e-01 -8.005090387e-01 3.56 -7.584210802e-01 -7.584210802e-01 3.58 -7.184581789e-01 -7.184581789e-01 3.60 -6.805140203e-01 -6.805140203e-01 3.62 -6.444740003e-01 -6.444740003e-01 3.64 -6.102237356e-01 -6.102237356e-01 3.66 -5.776746755e-01 -5.776746755e-01 3.68 -5.467479463e-01 -5.467479463e-01 3.70 -5.173631510e-01 -5.173631510e-01 3.72 -4.894383769e-01 -4.894383769e-01 3.74 -4.628907630e-01 -4.628907630e-01 3.76 -4.376363999e-01 -4.376363999e-01 3.78 -4.135908308e-01 -4.135908308e-01 3.80 -3.906689239e-01 -3.906689239e-01 3.82 -3.687851954e-01 -3.687851954e-01 3.84 -3.478537942e-01 -3.478537942e-01 3.86 -3.277935964e-01 -3.277935964e-01 3.88 -3.085648975e-01 -3.085648975e-01 3.90 -2.901494871e-01 -2.901494871e-01 3.92 -2.725294626e-01 -2.725294626e-01 3.94 -2.556857379e-01 -2.556857379e-01 3.96 -2.395965698e-01 -2.395965698e-01 3.98 -2.242394972e-01 -2.242394972e-01 4.00 -2.095911955e-01 -2.095911955e-01 4.02 -1.956275807e-01 -1.956275807e-01 4.04 -1.823237315e-01 -1.823237315e-01 4.06 -1.696536533e-01 -1.696536533e-01 4.08 -1.575904336e-01 -1.575904336e-01 4.10 -1.461060993e-01 -1.461060993e-01 4.12 -1.351711720e-01 -1.351711720e-01 4.14 -1.247417670e-01 -1.247417670e-01 4.16 -1.147508276e-01 -1.147508276e-01 4.18 -1.051283333e-01 -1.051283333e-01 4.20 -9.582334816e-02 -9.582334816e-02 4.22 -8.698783996e-02 -8.698783996e-02 4.24 -7.868907342e-02 -7.868907342e-02 4.26 -7.050210300e-02 -7.050210300e-02 4.28 -6.201995642e-02 -6.201995642e-02 4.30 -5.296940435e-02 -5.296940435e-02 4.32 -4.321082905e-02 -4.321082905e-02 4.34 -3.273328226e-02 -3.273328226e-02 4.36 -2.164439409e-02 -2.164439409e-02 4.38 -1.015571106e-02 -1.015571106e-02 4.40 1.437341554e-03 1.437341554e-03 4.42 1.277928023e-02 1.277928023e-02 4.44 2.348282471e-02 2.348282471e-02 4.46 3.315967672e-02 3.315967672e-02 4.48 4.145229855e-02 4.145229855e-02 4.50 4.806538166e-02 4.806538166e-02 4.52 5.280105443e-02 5.280105443e-02 4.54 5.564518596e-02 5.564518596e-02 4.56 5.674989655e-02 5.674989655e-02 4.58 5.637602314e-02 5.637602314e-02 4.60 5.486137981e-02 5.486137981e-02 4.62 5.258605414e-02 5.258605414e-02 4.64 4.993433567e-02 4.993433567e-02 4.66 4.725917397e-02 4.725917397e-02 4.68 4.485358251e-02 4.485358251e-02 4.70 4.293176171e-02 4.293176171e-02 4.72 4.162193732e-02 4.162193732e-02 4.74 4.096957873e-02 4.096957873e-02 4.76 4.094877454e-02 4.094877454e-02 4.78 4.149387008e-02 4.149387008e-02 4.80 4.250795606e-02 4.250795606e-02 4.82 4.385271924e-02 4.385271924e-02 4.84 4.538254065e-02 4.538254065e-02 4.86 4.696146639e-02 4.696146639e-02 4.88 4.847303130e-02 4.847303130e-02 4.90 4.982590381e-02 4.982590381e-02 4.92 5.095627660e-02 5.095627660e-02 4.94 5.182592102e-02 5.182592102e-02 4.96 5.241803931e-02 5.241803931e-02 4.98 5.273779324e-02 5.273779324e-02 5.00 5.279930382e-02 5.279930382e-02 5.02 5.261819772e-02 5.261819772e-02 5.04 5.220664407e-02 5.220664407e-02 5.06 5.157161346e-02 5.157161346e-02 5.08 5.071835947e-02 5.071835947e-02 5.10 4.965252265e-02 4.965252265e-02 5.12 4.838091484e-02 4.838091484e-02 5.14 4.691191700e-02 4.691191700e-02 5.16 4.525620445e-02 4.525620445e-02 5.18 4.342709870e-02 4.342709870e-02 5.20 4.144093414e-02 4.144093414e-02 5.22 3.931721334e-02 3.931721334e-02 5.24 3.707830687e-02 3.707830687e-02 5.26 3.474821302e-02 3.474821302e-02 5.28 3.235171322e-02 3.235171322e-02 5.30 2.991367171e-02 2.991367171e-02 5.32 2.745864942e-02 2.745864942e-02 5.34 2.501030716e-02 2.501030716e-02 5.36 2.259117796e-02 2.259117796e-02 5.38 2.022255625e-02 2.022255625e-02 5.40 1.792463737e-02 1.792463737e-02 5.42 1.571669883e-02 1.571669883e-02 5.44 1.361726833e-02 1.361726833e-02 5.46 1.164448557e-02 1.164448557e-02 5.48 9.816104421e-03 9.816104421e-03 5.50 8.149795904e-03 8.149795904e-03 5.52 6.663065935e-03 6.663065935e-03 5.54 5.364907584e-03 5.364907584e-03 5.56 4.245283427e-03 4.245283427e-03 5.58 3.291582150e-03 3.291582150e-03 5.60 2.491110680e-03 2.491110680e-03 5.62 1.831077242e-03 1.831077242e-03 5.64 1.298383532e-03 1.298383532e-03 5.66 8.798931342e-04 8.798931342e-04 5.68 5.621977509e-04 5.621977509e-04 5.70 3.317292897e-04 3.317292897e-04 5.72 1.746768755e-04 1.746768755e-04 5.74 7.710872072e-05 7.710872072e-05 5.76 2.495092373e-05 2.495092373e-05 5.78 3.999238346e-06 3.999238346e-06 5.80 4.561074903e-09 4.534143648e-09 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