# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoCr2Mn # 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 5.115244522e+02 5.115244522e+02 0.94 4.761984911e+02 4.761984911e+02 0.96 4.431790755e+02 4.431790755e+02 0.98 4.123210799e+02 4.123210799e+02 1.00 3.834882298e+02 3.834882298e+02 1.02 3.565525773e+02 3.565525773e+02 1.04 3.313940068e+02 3.313940068e+02 1.06 3.078997687e+02 3.078997687e+02 1.08 2.859640414e+02 2.859640414e+02 1.10 2.654875173e+02 2.654875173e+02 1.12 2.463770141e+02 2.463770141e+02 1.14 2.285451078e+02 2.285451078e+02 1.16 2.119097876e+02 2.119097876e+02 1.18 1.963941307e+02 1.963941307e+02 1.20 1.819259964e+02 1.819259964e+02 1.22 1.684377378e+02 1.684377378e+02 1.24 1.558659303e+02 1.558659303e+02 1.26 1.441511165e+02 1.441511165e+02 1.28 1.332375658e+02 1.332375658e+02 1.30 1.230730478e+02 1.230730478e+02 1.32 1.136086198e+02 1.136086198e+02 1.34 1.047984264e+02 1.047984264e+02 1.36 9.659951078e+01 9.659951078e+01 1.38 8.897163750e+01 8.897163750e+01 1.40 8.187712561e+01 8.187712561e+01 1.42 7.528069173e+01 7.528069173e+01 1.44 6.914930241e+01 6.914930241e+01 1.46 6.345203535e+01 6.345203535e+01 1.48 5.815994883e+01 5.815994883e+01 1.50 5.324595897e+01 5.324595897e+01 1.52 4.868472436e+01 4.868472436e+01 1.54 4.445253760e+01 4.445253760e+01 1.56 4.052722331e+01 4.052722331e+01 1.58 3.688804240e+01 3.688804240e+01 1.60 3.351560197e+01 3.351560197e+01 1.62 3.039177083e+01 3.039177083e+01 1.64 2.749959992e+01 2.749959992e+01 1.66 2.482324789e+01 2.482324789e+01 1.68 2.234791087e+01 2.234791087e+01 1.70 2.005975675e+01 2.005975675e+01 1.72 1.794586347e+01 1.794586347e+01 1.74 1.599416099e+01 1.599416099e+01 1.76 1.419337695e+01 1.419337695e+01 1.78 1.253298564e+01 1.253298564e+01 1.80 1.100316009e+01 1.100316009e+01 1.82 9.594727235e+00 9.594727235e+00 1.84 8.299125775e+00 8.299125775e+00 1.86 7.108366708e+00 7.108366708e+00 1.88 6.014996339e+00 6.014996339e+00 1.90 5.012061600e+00 5.012061600e+00 1.92 4.093077557e+00 4.093077557e+00 1.94 3.251996953e+00 3.251996953e+00 1.96 2.483181695e+00 2.483181695e+00 1.98 1.781376134e+00 1.781376134e+00 2.00 1.141682054e+00 1.141682054e+00 2.02 5.595352472e-01 5.595352472e-01 2.04 3.068358663e-02 3.068358663e-02 2.06 -4.488335027e-01 -4.488335027e-01 2.08 -8.827042529e-01 -8.827042529e-01 2.10 -1.274362534e+00 -1.274362534e+00 2.12 -1.627004676e+00 -1.627004676e+00 2.14 -1.943605207e+00 -1.943605207e+00 2.16 -2.226931564e+00 -2.226931564e+00 2.18 -2.479557944e+00 -2.479557944e+00 2.20 -2.703878031e+00 -2.703878031e+00 2.22 -2.902117198e+00 -2.902117198e+00 2.24 -3.076343691e+00 -3.076343691e+00 2.26 -3.228479178e+00 -3.228479178e+00 2.28 -3.360308593e+00 -3.360308593e+00 2.30 -3.473489351e+00 -3.473489351e+00 2.32 -3.569559943e+00 -3.569559943e+00 2.34 -3.649947989e+00 -3.649947989e+00 2.36 -3.715977749e+00 -3.715977749e+00 2.38 -3.768877149e+00 -3.768877149e+00 2.40 -3.809784348e+00 -3.809784348e+00 2.42 -3.839753867e+00 -3.839753867e+00 2.44 -3.859762321e+00 -3.859762321e+00 2.46 -3.870706913e+00 -3.870706913e+00 2.48 -3.873392239e+00 -3.873392239e+00 2.50 -3.868559312e+00 -3.868559312e+00 2.52 -3.856896354e+00 -3.856896354e+00 2.54 -3.839028411e+00 -3.839028411e+00 2.56 -3.815518383e+00 -3.815518383e+00 2.58 -3.786890503e+00 -3.786890503e+00 2.60 -3.753634083e+00 -3.753634083e+00 2.62 -3.716205561e+00 -3.716205561e+00 2.64 -3.675030430e+00 -3.675030430e+00 2.66 -3.630505068e+00 -3.630505068e+00 2.68 -3.582998460e+00 -3.582998460e+00 2.70 -3.532853827e+00 -3.532853827e+00 2.72 -3.480390170e+00 -3.480390170e+00 2.74 -3.425903721e+00 -3.425903721e+00 2.76 -3.369669317e+00 -3.369669317e+00 2.78 -3.311941700e+00 -3.311941700e+00 2.80 -3.252956742e+00 -3.252956742e+00 2.82 -3.192932598e+00 -3.192932598e+00 2.84 -3.132070806e+00 -3.132070806e+00 2.86 -3.070557307e+00 -3.070557307e+00 2.88 -3.008563431e+00 -3.008563431e+00 2.90 -2.946246802e+00 -2.946246802e+00 2.92 -2.883752213e+00 -2.883752213e+00 2.94 -2.821212443e+00 -2.821212443e+00 2.96 -2.758749019e+00 -2.758749019e+00 2.98 -2.696472953e+00 -2.696472953e+00 3.00 -2.634485419e+00 -2.634485419e+00 3.02 -2.572878404e+00 -2.572878404e+00 3.04 -2.511735310e+00 -2.511735310e+00 3.06 -2.451131531e+00 -2.451131531e+00 3.08 -2.391134994e+00 -2.391134994e+00 3.10 -2.331806660e+00 -2.331806660e+00 3.12 -2.273201007e+00 -2.273201007e+00 3.14 -2.215366481e+00 -2.215366481e+00 3.16 -2.158345912e+00 -2.158345912e+00 3.18 -2.102176919e+00 -2.102176919e+00 3.20 -2.046892280e+00 -2.046892280e+00 3.22 -1.992520285e+00 -1.992520285e+00 3.24 -1.939085064e+00 -1.939085064e+00 3.26 -1.886606897e+00 -1.886606897e+00 3.28 -1.835102508e+00 -1.835102508e+00 3.30 -1.784585332e+00 -1.784585332e+00 3.32 -1.735065778e+00 -1.735065778e+00 3.34 -1.686551461e+00 -1.686551461e+00 3.36 -1.639047435e+00 -1.639047435e+00 3.38 -1.592556395e+00 -1.592556395e+00 3.40 -1.547078881e+00 -1.547078881e+00 3.42 -1.502613458e+00 -1.502613458e+00 3.44 -1.459156891e+00 -1.459156891e+00 3.46 -1.416704303e+00 -1.416704303e+00 3.48 -1.375249328e+00 -1.375249328e+00 3.50 -1.334784252e+00 -1.334784252e+00 3.52 -1.295300139e+00 -1.295300139e+00 3.54 -1.256786961e+00 -1.256786961e+00 3.56 -1.219233705e+00 -1.219233705e+00 3.58 -1.182628480e+00 -1.182628480e+00 3.60 -1.146958619e+00 -1.146958619e+00 3.62 -1.112210767e+00 -1.112210767e+00 3.64 -1.078370967e+00 -1.078370967e+00 3.66 -1.045424739e+00 -1.045424739e+00 3.68 -1.013357152e+00 -1.013357152e+00 3.70 -9.821528935e-01 -9.821528935e-01 3.72 -9.517963311e-01 -9.517963311e-01 3.74 -9.222715693e-01 -9.222715693e-01 3.76 -8.935625039e-01 -8.935625039e-01 3.78 -8.656528705e-01 -8.656528705e-01 3.80 -8.385262901e-01 -8.385262901e-01 3.82 -8.121302436e-01 -8.121302436e-01 3.84 -7.833205638e-01 -7.833205638e-01 3.86 -7.376720362e-01 -7.376720362e-01 3.88 -6.584310614e-01 -6.584310614e-01 3.90 -5.927454167e-01 -5.927454167e-01 3.92 -5.740700725e-01 -5.740700725e-01 3.94 -5.559374838e-01 -5.559374838e-01 3.96 -5.383346371e-01 -5.383346371e-01 3.98 -5.212486503e-01 -5.212486503e-01 4.00 -5.046667853e-01 -5.046667853e-01 4.02 -4.885764599e-01 -4.885764599e-01 4.04 -4.729652575e-01 -4.729652575e-01 4.06 -4.578209365e-01 -4.578209365e-01 4.08 -4.431314380e-01 -4.431314380e-01 4.10 -4.288848928e-01 -4.288848928e-01 4.12 -4.150696275e-01 -4.150696275e-01 4.14 -4.016741691e-01 -4.016741691e-01 4.16 -3.886872499e-01 -3.886872499e-01 4.18 -3.760978103e-01 -3.760978103e-01 4.20 -3.638950022e-01 -3.638950022e-01 4.22 -3.520681909e-01 -3.520681909e-01 4.24 -3.406069567e-01 -3.406069567e-01 4.26 -3.295010958e-01 -3.295010958e-01 4.28 -3.187406213e-01 -3.187406213e-01 4.30 -3.083157627e-01 -3.083157627e-01 4.32 -2.982169659e-01 -2.982169659e-01 4.34 -2.884348923e-01 -2.884348923e-01 4.36 -2.789604181e-01 -2.789604181e-01 4.38 -2.697846325e-01 -2.697846325e-01 4.40 -2.608988362e-01 -2.608988362e-01 4.42 -2.516425383e-01 -2.516425383e-01 4.44 -2.339396360e-01 -2.339396360e-01 4.46 -1.882425744e-01 -1.882425744e-01 4.48 -9.559835997e-02 -9.559835997e-02 4.50 -8.415351331e-23 -8.413083311e-23 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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