# 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 = Co2CrFe # 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 -5.092360220e+02 -5.092360220e+02 1.04 -4.801710912e+02 -4.801710912e+02 1.06 -4.531824447e+02 -4.531824447e+02 1.08 -4.281285583e+02 -4.281285583e+02 1.10 -4.045188880e+02 -4.045188880e+02 1.12 -3.819042524e+02 -3.819042524e+02 1.14 -3.601314305e+02 -3.601314305e+02 1.16 -3.391422763e+02 -3.391422763e+02 1.18 -3.190489686e+02 -3.190489686e+02 1.20 -3.000924364e+02 -3.000924364e+02 1.22 -2.824201066e+02 -2.824201066e+02 1.24 -2.661016232e+02 -2.661016232e+02 1.26 -2.511887730e+02 -2.511887730e+02 1.28 -2.376763639e+02 -2.376763639e+02 1.30 -2.253241453e+02 -2.253241453e+02 1.32 -2.138307039e+02 -2.138307039e+02 1.34 -2.029477871e+02 -2.029477871e+02 1.36 -1.925630784e+02 -1.925630784e+02 1.38 -1.826313983e+02 -1.826313983e+02 1.40 -1.730617444e+02 -1.730617444e+02 1.42 -1.636960852e+02 -1.636960852e+02 1.44 -1.544174943e+02 -1.544174943e+02 1.46 -1.451558178e+02 -1.451558178e+02 1.48 -1.358897238e+02 -1.358897238e+02 1.50 -1.266747113e+02 -1.266747113e+02 1.52 -1.175844337e+02 -1.175844337e+02 1.54 -1.086693825e+02 -1.086693825e+02 1.56 -9.993850533e+01 -9.993850533e+01 1.58 -9.139293996e+01 -9.139293996e+01 1.60 -8.305163711e+01 -8.305163711e+01 1.62 -7.496038535e+01 -7.496038535e+01 1.64 -6.720063925e+01 -6.720063925e+01 1.66 -5.986115472e+01 -5.986115472e+01 1.68 -5.297890705e+01 -5.297890705e+01 1.70 -4.652287674e+01 -4.652287674e+01 1.72 -4.045776066e+01 -4.045776066e+01 1.74 -3.476553287e+01 -3.476553287e+01 1.76 -2.944097394e+01 -2.944097394e+01 1.78 -2.446232072e+01 -2.446232072e+01 1.80 -1.979929982e+01 -1.979929982e+01 1.82 -1.544915826e+01 -1.544915826e+01 1.84 -1.154425873e+01 -1.154425873e+01 1.86 -8.219214509e+00 -8.219214509e+00 1.88 -5.778244858e+00 -5.778244858e+00 1.90 -4.069087495e+00 -4.069087495e+00 1.92 -2.915177453e+00 -2.915177453e+00 1.94 -2.179936058e+00 -2.179936058e+00 1.96 -1.759334231e+00 -1.759334231e+00 1.98 -1.568572138e+00 -1.568572138e+00 2.00 -1.540574309e+00 -1.540574309e+00 2.02 -1.622908528e+00 -1.622908528e+00 2.04 -1.776132836e+00 -1.776132836e+00 2.06 -1.970870504e+00 -1.970870504e+00 2.08 -2.185616663e+00 -2.185616663e+00 2.10 -2.405277934e+00 -2.405277934e+00 2.12 -2.620283567e+00 -2.620283567e+00 2.14 -2.825101104e+00 -2.825101104e+00 2.16 -3.017135643e+00 -3.017135643e+00 2.18 -3.195855185e+00 -3.195855185e+00 2.20 -3.358682126e+00 -3.358682126e+00 2.22 -3.502929305e+00 -3.502929305e+00 2.24 -3.629819041e+00 -3.629819041e+00 2.26 -3.741548624e+00 -3.741548624e+00 2.28 -3.840107903e+00 -3.840107903e+00 2.30 -3.926641665e+00 -3.926641665e+00 2.32 -4.001479738e+00 -4.001479738e+00 2.34 -4.065034756e+00 -4.065034756e+00 2.36 -4.117903067e+00 -4.117903067e+00 2.38 -4.160904247e+00 -4.160904247e+00 2.40 -4.194728348e+00 -4.194728348e+00 2.42 -4.219926140e+00 -4.219926140e+00 2.44 -4.236979035e+00 -4.236979035e+00 2.46 -4.246670432e+00 -4.246670432e+00 2.48 -4.249911639e+00 -4.249911639e+00 2.50 -4.247629423e+00 -4.247629423e+00 2.52 -4.239758028e+00 -4.239758028e+00 2.54 -4.225377932e+00 -4.225377932e+00 2.56 -4.204110319e+00 -4.204110319e+00 2.58 -4.176053852e+00 -4.176053852e+00 2.60 -4.141533619e+00 -4.141533619e+00 2.62 -4.100966261e+00 -4.100966261e+00 2.64 -4.054830407e+00 -4.054830407e+00 2.66 -4.003611463e+00 -4.003611463e+00 2.68 -3.947644877e+00 -3.947644877e+00 2.70 -3.887199527e+00 -3.887199527e+00 2.72 -3.822564432e+00 -3.822564432e+00 2.74 -3.754095433e+00 -3.754095433e+00 2.76 -3.682320861e+00 -3.682320861e+00 2.78 -3.608009729e+00 -3.608009729e+00 2.80 -3.532139102e+00 -3.532139102e+00 2.82 -3.455793001e+00 -3.455793001e+00 2.84 -3.380007764e+00 -3.380007764e+00 2.86 -3.305706785e+00 -3.305706785e+00 2.88 -3.233609458e+00 -3.233609458e+00 2.90 -3.164146568e+00 -3.164146568e+00 2.92 -3.097508956e+00 -3.097508956e+00 2.94 -3.033702555e+00 -3.033702555e+00 2.96 -2.972580382e+00 -2.972580382e+00 2.98 -2.914034338e+00 -2.914034338e+00 3.00 -2.856240753e+00 -2.856240753e+00 3.02 -2.795199259e+00 -2.795199259e+00 3.04 -2.726886591e+00 -2.726886591e+00 3.06 -2.647274442e+00 -2.647274442e+00 3.08 -2.552329048e+00 -2.552329048e+00 3.10 -2.438284253e+00 -2.438284253e+00 3.12 -2.301830574e+00 -2.301830574e+00 3.14 -2.140075269e+00 -2.140075269e+00 3.16 -1.950595664e+00 -1.950595664e+00 3.18 -1.732619796e+00 -1.732619796e+00 3.20 -1.543779371e+00 -1.543779371e+00 3.22 -1.484576202e+00 -1.484576202e+00 3.24 -1.427265581e+00 -1.427265581e+00 3.26 -1.371830047e+00 -1.371830047e+00 3.28 -1.318172998e+00 -1.318172998e+00 3.30 -1.266129323e+00 -1.266129323e+00 3.32 -1.215492181e+00 -1.215492181e+00 3.34 -1.166051388e+00 -1.166051388e+00 3.36 -1.117632379e+00 -1.117632379e+00 3.38 -1.070130237e+00 -1.070130237e+00 3.40 -1.023533047e+00 -1.023533047e+00 3.42 -9.779290264e-01 -9.779290264e-01 3.44 -9.334547001e-01 -9.334547001e-01 3.46 -8.902566187e-01 -8.902566187e-01 3.48 -8.484631505e-01 -8.484631505e-01 3.50 -8.081656493e-01 -8.081656493e-01 3.52 -7.694101719e-01 -7.694101719e-01 3.54 -7.321984333e-01 -7.321984333e-01 3.56 -6.964958633e-01 -6.964958633e-01 3.58 -6.622556591e-01 -6.622556591e-01 3.60 -6.294417761e-01 -6.294417761e-01 3.62 -5.980177012e-01 -5.980177012e-01 3.64 -5.679430447e-01 -5.679430447e-01 3.66 -5.391809640e-01 -5.391809640e-01 3.68 -5.116967932e-01 -5.116967932e-01 3.70 -4.854529615e-01 -4.854529615e-01 3.72 -4.604086479e-01 -4.604086479e-01 3.74 -4.365198446e-01 -4.365198446e-01 3.76 -4.137391148e-01 -4.137391148e-01 3.78 -3.920157205e-01 -3.920157205e-01 3.80 -3.712954536e-01 -3.712954536e-01 3.82 -3.515207416e-01 -3.515207416e-01 3.84 -3.326307042e-01 -3.326307042e-01 3.86 -3.145623772e-01 -3.145623772e-01 3.88 -2.972603888e-01 -2.972603888e-01 3.90 -2.806731542e-01 -2.806731542e-01 3.92 -2.647479590e-01 -2.647479590e-01 3.94 -2.494415008e-01 -2.494415008e-01 3.96 -2.347293684e-01 -2.347293684e-01 3.98 -2.205900018e-01 -2.205900018e-01 4.00 -2.070025547e-01 -2.070025547e-01 4.02 -1.939468484e-01 -1.939468484e-01 4.04 -1.814036016e-01 -1.814036016e-01 4.06 -1.693539733e-01 -1.693539733e-01 4.08 -1.577798649e-01 -1.577798649e-01 4.10 -1.466637123e-01 -1.466637123e-01 4.12 -1.359882881e-01 -1.359882881e-01 4.14 -1.257358909e-01 -1.257358909e-01 4.16 -1.158871385e-01 -1.158871385e-01 4.18 -1.064228278e-01 -1.064228278e-01 4.20 -9.732943881e-02 -9.732943881e-02 4.22 -8.862320047e-02 -8.862320047e-02 4.24 -8.033024071e-02 -8.033024071e-02 4.26 -7.247663697e-02 -7.247663697e-02 4.28 -6.508819704e-02 -6.508819704e-02 4.30 -5.819036453e-02 -5.819036453e-02 4.32 -5.180782322e-02 -5.180782322e-02 4.34 -4.596456823e-02 -4.596456823e-02 4.36 -4.068237897e-02 -4.068237897e-02 4.38 -3.598365047e-02 -3.598365047e-02 4.40 -3.189790687e-02 -3.189790687e-02 4.42 -2.843711606e-02 -2.843711606e-02 4.44 -2.560365368e-02 -2.560365368e-02 4.46 -2.339917567e-02 -2.339917567e-02 4.48 -2.182917647e-02 -2.182917647e-02 4.50 -2.090120128e-02 -2.090120128e-02 4.52 -2.061540826e-02 -2.061540826e-02 4.54 -2.093057993e-02 -2.093057993e-02 4.56 -2.177448544e-02 -2.177448544e-02 4.58 -2.308003761e-02 -2.308003761e-02 4.60 -2.477369303e-02 -2.477369303e-02 4.62 -2.677646655e-02 -2.677646655e-02 4.64 -2.900691820e-02 -2.900691820e-02 4.66 -3.138420975e-02 -3.138420975e-02 4.68 -3.383174415e-02 -3.383174415e-02 4.70 -3.628113553e-02 -3.628113553e-02 4.72 -3.867541955e-02 -3.867541955e-02 4.74 -4.097131806e-02 -4.097131806e-02 4.76 -4.314012239e-02 -4.314012239e-02 4.78 -4.516487009e-02 -4.516487009e-02 4.80 -4.704040821e-02 -4.704040821e-02 4.82 -4.877380722e-02 -4.877380722e-02 4.84 -5.037647650e-02 -5.037647650e-02 4.86 -5.185936420e-02 -5.185936420e-02 4.88 -5.323021510e-02 -5.323021510e-02 4.90 -5.449142181e-02 -5.449142181e-02 4.92 -5.563892903e-02 -5.563892903e-02 4.94 -5.666217094e-02 -5.666217094e-02 4.96 -5.754110316e-02 -5.754110316e-02 4.98 -5.823545333e-02 -5.823545333e-02 5.00 -5.870511988e-02 -5.870511988e-02 5.02 -5.891504142e-02 -5.891504142e-02 5.04 -5.883736091e-02 -5.883736091e-02 5.06 -5.845745202e-02 -5.845745202e-02 5.08 -5.777032731e-02 -5.777032731e-02 5.10 -5.677530195e-02 -5.677530195e-02 5.12 -5.547432095e-02 -5.547432095e-02 5.14 -5.387081372e-02 -5.387081372e-02 5.16 -5.196852751e-02 -5.196852751e-02 5.18 -4.977103549e-02 -4.977103549e-02 5.20 -4.728171296e-02 -4.728171296e-02 5.22 -4.450628731e-02 -4.450628731e-02 5.24 -4.146335137e-02 -4.146335137e-02 5.26 -3.818071713e-02 -3.818071713e-02 5.28 -3.469509464e-02 -3.469509464e-02 5.30 -3.105465982e-02 -3.105465982e-02 5.32 -2.731987197e-02 -2.731987197e-02 5.34 -2.356287136e-02 -2.356287136e-02 5.36 -1.986452858e-02 -1.986452858e-02 5.38 -1.630981517e-02 -1.630981517e-02 5.40 -1.298135260e-02 -1.298135260e-02 5.42 -9.952729580e-03 -9.952729580e-03 5.44 -7.282236622e-03 -7.282236622e-03 5.46 -5.007985691e-03 -5.007985691e-03 5.48 -3.145380165e-03 -3.145380165e-03 5.50 -1.686079525e-03 -1.686079525e-03 5.52 -6.039230352e-04 -6.039230352e-04 5.54 1.431268894e-04 1.431268894e-04 5.56 6.052980249e-04 6.052980249e-04 5.58 8.385972936e-04 8.385972936e-04 5.60 9.000838673e-04 9.000838673e-04 5.62 8.434588823e-04 8.434588823e-04 5.64 7.160172113e-04 7.160172113e-04 5.66 5.569163786e-04 5.569163786e-04 5.68 3.960210397e-04 3.960210397e-04 5.70 2.539362334e-04 2.539362334e-04 5.72 1.425276047e-04 1.425276047e-04 5.74 6.597529674e-05 6.597529674e-05 5.76 2.205424608e-05 2.205424608e-05 5.78 3.606653233e-06 3.606653233e-06 5.80 -1.090748575e-09 -1.091726803e-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