# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr # implementation = 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2 # composition = Cr2FeNi # 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 4.210329484e+02 4.210329484e+02 1.02 3.867896829e+02 3.867896829e+02 1.04 3.555144954e+02 3.555144954e+02 1.06 3.269416470e+02 3.269416470e+02 1.08 3.007528794e+02 3.007528794e+02 1.10 2.766744368e+02 2.766744368e+02 1.12 2.545372768e+02 2.545372768e+02 1.14 2.342247646e+02 2.342247646e+02 1.16 2.155965612e+02 2.155965612e+02 1.18 1.984765135e+02 1.984765135e+02 1.20 1.827080052e+02 1.827080052e+02 1.22 1.681788475e+02 1.681788475e+02 1.24 1.547992204e+02 1.547992204e+02 1.26 1.424857115e+02 1.424857115e+02 1.28 1.311548425e+02 1.311548425e+02 1.30 1.207162188e+02 1.207162188e+02 1.32 1.110773838e+02 1.110773838e+02 1.34 1.021583249e+02 1.021583249e+02 1.36 9.389722668e+01 9.389722668e+01 1.38 8.624495701e+01 8.624495701e+01 1.40 7.915872750e+01 7.915872750e+01 1.42 7.259996641e+01 7.259996641e+01 1.44 6.653478871e+01 6.653478871e+01 1.46 6.093281048e+01 6.093281048e+01 1.48 5.576218063e+01 5.576218063e+01 1.50 5.098580708e+01 5.098580708e+01 1.52 4.656479150e+01 4.656479150e+01 1.54 4.246575141e+01 4.246575141e+01 1.56 3.866399277e+01 3.866399277e+01 1.58 3.514117404e+01 3.514117404e+01 1.60 3.188183644e+01 3.188183644e+01 1.62 2.887146321e+01 2.887146321e+01 1.64 2.609563775e+01 2.609563775e+01 1.66 2.353932019e+01 2.353932019e+01 1.68 2.118606659e+01 2.118606659e+01 1.70 1.901773873e+01 1.901773873e+01 1.72 1.701557133e+01 1.701557133e+01 1.74 1.516288435e+01 1.516288435e+01 1.76 1.344800099e+01 1.344800099e+01 1.78 1.186455443e+01 1.186455443e+01 1.80 1.040785053e+01 1.040785053e+01 1.82 9.069970282e+00 9.069970282e+00 1.84 7.838216143e+00 7.838216143e+00 1.86 6.698276328e+00 6.698276328e+00 1.88 5.638986054e+00 5.638986054e+00 1.90 4.653990275e+00 4.653990275e+00 1.92 3.740088599e+00 3.740088599e+00 1.94 2.895256239e+00 2.895256239e+00 1.96 2.117248973e+00 2.117248973e+00 1.98 1.403306930e+00 1.403306930e+00 2.00 7.503453799e-01 7.503453799e-01 2.02 1.551590971e-01 1.551590971e-01 2.04 -3.854778142e-01 -3.854778142e-01 2.06 -8.748015192e-01 -8.748015192e-01 2.08 -1.316037507e+00 -1.316037507e+00 2.10 -1.712362059e+00 -1.712362059e+00 2.12 -2.066811220e+00 -2.066811220e+00 2.14 -2.382263099e+00 -2.382263099e+00 2.16 -2.661471637e+00 -2.661471637e+00 2.18 -2.907101890e+00 -2.907101890e+00 2.20 -3.121741620e+00 -3.121741620e+00 2.22 -3.307909100e+00 -3.307909100e+00 2.24 -3.468189749e+00 -3.468189749e+00 2.26 -3.605250837e+00 -3.605250837e+00 2.28 -3.721806044e+00 -3.721806044e+00 2.30 -3.820545121e+00 -3.820545121e+00 2.32 -3.904051768e+00 -3.904051768e+00 2.34 -3.974727706e+00 -3.974727706e+00 2.36 -4.034739358e+00 -4.034739358e+00 2.38 -4.085987049e+00 -4.085987049e+00 2.40 -4.130077443e+00 -4.130077443e+00 2.42 -4.168272255e+00 -4.168272255e+00 2.44 -4.201396219e+00 -4.201396219e+00 2.46 -4.229730038e+00 -4.229730038e+00 2.48 -4.252962112e+00 -4.252962112e+00 2.50 -4.270289543e+00 -4.270289543e+00 2.52 -4.280704364e+00 -4.280704364e+00 2.54 -4.283396162e+00 -4.283396162e+00 2.56 -4.278104476e+00 -4.278104476e+00 2.58 -4.265254753e+00 -4.265254753e+00 2.60 -4.245818807e+00 -4.245818807e+00 2.62 -4.220989301e+00 -4.220989301e+00 2.64 -4.191843937e+00 -4.191843937e+00 2.66 -4.159147030e+00 -4.159147030e+00 2.68 -4.123331335e+00 -4.123331335e+00 2.70 -4.084603452e+00 -4.084603452e+00 2.72 -4.043079210e+00 -4.043079210e+00 2.74 -3.998880284e+00 -3.998880284e+00 2.76 -3.952172184e+00 -3.952172184e+00 2.78 -3.903158602e+00 -3.903158602e+00 2.80 -3.852060872e+00 -3.852060872e+00 2.82 -3.799096084e+00 -3.799096084e+00 2.84 -3.744470873e+00 -3.744470873e+00 2.86 -3.688384410e+00 -3.688384410e+00 2.88 -3.631039041e+00 -3.631039041e+00 2.90 -3.572652472e+00 -3.572652472e+00 2.92 -3.513468591e+00 -3.513468591e+00 2.94 -3.453762816e+00 -3.453762816e+00 2.96 -3.393839800e+00 -3.393839800e+00 2.98 -3.334076454e+00 -3.334076454e+00 3.00 -3.274883801e+00 -3.274883801e+00 3.02 -3.216627612e+00 -3.216627612e+00 3.04 -3.159610082e+00 -3.159610082e+00 3.06 -3.104057835e+00 -3.104057835e+00 3.08 -3.050094712e+00 -3.050094712e+00 3.10 -2.997662663e+00 -2.997662663e+00 3.12 -2.946631591e+00 -2.946631591e+00 3.14 -2.896849877e+00 -2.896849877e+00 3.16 -2.848155554e+00 -2.848155554e+00 3.18 -2.800387747e+00 -2.800387747e+00 3.20 -2.753396497e+00 -2.753396497e+00 3.22 -2.707049792e+00 -2.707049792e+00 3.24 -2.661237464e+00 -2.661237464e+00 3.26 -2.615872385e+00 -2.615872385e+00 3.28 -2.570889534e+00 -2.570889534e+00 3.30 -2.526243922e+00 -2.526243922e+00 3.32 -2.481908008e+00 -2.481908008e+00 3.34 -2.437869053e+00 -2.437869053e+00 3.36 -2.394127255e+00 -2.394127255e+00 3.38 -2.350692761e+00 -2.350692761e+00 3.40 -2.307584291e+00 -2.307584291e+00 3.42 -2.264826832e+00 -2.264826832e+00 3.44 -2.222449815e+00 -2.222449815e+00 3.46 -2.180484876e+00 -2.180484876e+00 3.48 -2.138960721e+00 -2.138960721e+00 3.50 -2.097902536e+00 -2.097902536e+00 3.52 -2.057332912e+00 -2.057332912e+00 3.54 -2.017270816e+00 -2.017270816e+00 3.56 -1.977733098e+00 -1.977733098e+00 3.58 -1.938734528e+00 -1.938734528e+00 3.60 -1.900286104e+00 -1.900286104e+00 3.62 -1.862335770e+00 -1.862335770e+00 3.64 -1.824774910e+00 -1.824774910e+00 3.66 -1.787515915e+00 -1.787515915e+00 3.68 -1.750493209e+00 -1.750493209e+00 3.70 -1.713660089e+00 -1.713660089e+00 3.72 -1.676985852e+00 -1.676985852e+00 3.74 -1.640453155e+00 -1.640453155e+00 3.76 -1.604055549e+00 -1.604055549e+00 3.78 -1.567795163e+00 -1.567795163e+00 3.80 -1.531680520e+00 -1.531680520e+00 3.82 -1.495724433e+00 -1.495724433e+00 3.84 -1.459942074e+00 -1.459942074e+00 3.86 -1.424349144e+00 -1.424349144e+00 3.88 -1.388960275e+00 -1.388960275e+00 3.90 -1.353787646e+00 -1.353787646e+00 3.92 -1.318839925e+00 -1.318839925e+00 3.94 -1.284121583e+00 -1.284121583e+00 3.96 -1.249632646e+00 -1.249632646e+00 3.98 -1.215368920e+00 -1.215368920e+00 4.00 -1.181322724e+00 -1.181322724e+00 4.02 -1.147484108e+00 -1.147484108e+00 4.04 -1.113842489e+00 -1.113842489e+00 4.06 -1.080388618e+00 -1.080388618e+00 4.08 -1.047116716e+00 -1.047116716e+00 4.10 -1.014026617e+00 -1.014026617e+00 4.12 -9.811256776e-01 -9.811256776e-01 4.14 -9.484303328e-01 -9.484303328e-01 4.16 -9.159670167e-01 -9.159670167e-01 4.18 -8.837724198e-01 -8.837724198e-01 4.20 -8.518929569e-01 -8.518929569e-01 4.22 -8.203834949e-01 -8.203834949e-01 4.24 -7.893053776e-01 -7.893053776e-01 4.26 -7.587239925e-01 -7.587239925e-01 4.28 -7.287059813e-01 -7.287059813e-01 4.30 -6.993163807e-01 -6.993163807e-01 4.32 -6.706158972e-01 -6.706158972e-01 4.34 -6.426584618e-01 -6.426584618e-01 4.36 -6.154892495e-01 -6.154892495e-01 4.38 -5.891431751e-01 -5.891431751e-01 4.40 -5.636438966e-01 -5.636438966e-01 4.42 -5.390033263e-01 -5.390033263e-01 4.44 -5.152215164e-01 -5.152215164e-01 4.46 -4.922869326e-01 -4.922869326e-01 4.48 -4.701769787e-01 -4.701769787e-01 4.50 -4.488587891e-01 -4.488587891e-01 4.52 -4.282902335e-01 -4.282902335e-01 4.54 -4.084211484e-01 -4.084211484e-01 4.56 -3.891948188e-01 -3.891948188e-01 4.58 -3.705497154e-01 -3.705497154e-01 4.60 -3.524214895e-01 -3.524214895e-01 4.62 -3.347452344e-01 -3.347452344e-01 4.64 -3.174579484e-01 -3.174579484e-01 4.66 -3.005011413e-01 -3.005011413e-01 4.68 -2.838234586e-01 -2.838234586e-01 4.70 -2.673832190e-01 -2.673832190e-01 4.72 -2.511506600e-01 -2.511506600e-01 4.74 -2.351099040e-01 -2.351099040e-01 4.76 -2.192600704e-01 -2.192600704e-01 4.78 -2.036160041e-01 -2.036160041e-01 4.80 -1.882080180e-01 -1.882080180e-01 4.82 -1.730808355e-01 -1.730808355e-01 4.84 -1.582916162e-01 -1.582916162e-01 4.86 -1.439075273e-01 -1.439075273e-01 4.88 -1.300021694e-01 -1.300021694e-01 4.90 -1.166518168e-01 -1.166518168e-01 4.92 -1.039316418e-01 -1.039316418e-01 4.94 -9.191169619e-02 -9.191169619e-02 4.96 -8.065323438e-02 -8.065323438e-02 4.98 -7.020595516e-02 -7.020595516e-02 5.00 -6.060517575e-02 -6.060517575e-02 5.02 -5.187075236e-02 -5.187075236e-02 5.04 -4.400641746e-02 -4.400641746e-02 5.06 -3.700014161e-02 -3.700014161e-02 5.08 -3.082527331e-02 -3.082527331e-02 5.10 -2.544227948e-02 -2.544227948e-02 5.12 -2.080114551e-02 -2.080114551e-02 5.14 -1.683979161e-02 -1.683979161e-02 5.16 -1.349562345e-02 -1.349562345e-02 5.18 -1.070770186e-02 -1.070770186e-02 5.20 -8.411321900e-03 -8.411321900e-03 5.22 -6.541794333e-03 -6.541794333e-03 5.24 -5.037109460e-03 -5.037109460e-03 5.26 -3.839691166e-03 -3.839691166e-03 5.28 -2.897441986e-03 -2.897441986e-03 5.30 -2.164114869e-03 -2.164114869e-03 5.32 -1.599952503e-03 -1.599952503e-03 5.34 -1.170740926e-03 -1.170740926e-03 5.36 -8.478061557e-04 -8.478061557e-04 5.38 -6.075564641e-04 -6.075564641e-04 5.40 -4.308291371e-04 -4.308291371e-04 5.42 -3.022927401e-04 -3.022927401e-04 5.44 -2.098509728e-04 -2.098509728e-04 5.46 -1.441381099e-04 -1.441381099e-04 5.48 -9.794660075e-05 -9.794660075e-05 5.50 -6.584537911e-05 -6.584537911e-05 5.52 -4.378960191e-05 -4.378960191e-05 5.54 -2.880794399e-05 -2.880794399e-05 5.56 -1.874719538e-05 -1.874719538e-05 5.58 -1.196405616e-05 -1.196405616e-05 5.60 -7.614889580e-06 -7.614889580e-06 5.62 -4.789072610e-06 -4.789072610e-06 5.64 -2.981785039e-06 -2.981785039e-06 5.66 -1.836095944e-06 -1.836095944e-06 5.68 -1.118145880e-06 -1.118145880e-06 5.70 -6.734046749e-07 -6.734046749e-07 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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