# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoCr2Fe # 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 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.842510203e+04 2.842510203e+04 1.12 2.285557530e+04 2.285557530e+04 1.14 1.844453317e+04 1.844453317e+04 1.16 1.493704883e+04 1.493704883e+04 1.18 1.213730685e+04 1.213730685e+04 1.20 9.894215127e+03 9.894215127e+03 1.22 8.090681189e+03 8.090681189e+03 1.24 6.635577506e+03 6.635577506e+03 1.26 5.457694744e+03 5.457694744e+03 1.28 4.501168228e+03 4.501168228e+03 1.30 3.722002650e+03 3.722002650e+03 1.32 3.085423178e+03 3.085423178e+03 1.34 2.563844970e+03 2.563844970e+03 1.36 2.135309824e+03 2.135309824e+03 1.38 1.782280293e+03 1.782280293e+03 1.40 1.490704532e+03 1.490704532e+03 1.42 1.249287473e+03 1.249287473e+03 1.44 1.048922021e+03 1.048922021e+03 1.46 8.822440716e+02 8.822440716e+02 1.48 7.432820189e+02 7.432820189e+02 1.50 6.271802739e+02 6.271802739e+02 1.52 5.299795518e+02 5.299795518e+02 1.54 4.484429679e+02 4.484429679e+02 1.56 3.799173831e+02 3.799173831e+02 1.58 3.222226287e+02 3.222226287e+02 1.60 2.735632679e+02 2.735632679e+02 1.62 2.324570079e+02 2.324570079e+02 1.64 1.976767637e+02 1.976767637e+02 1.66 1.682047778e+02 1.682047778e+02 1.68 1.431951978e+02 1.431951978e+02 1.70 1.219436024e+02 1.219436024e+02 1.72 1.038622827e+02 1.038622827e+02 1.74 8.846004314e+01 8.846004314e+01 1.76 7.532545014e+01 7.532545014e+01 1.78 6.411303667e+01 6.411303667e+01 1.80 5.453233998e+01 5.453233998e+01 1.82 4.633882388e+01 4.633882388e+01 1.84 3.932616292e+01 3.932616292e+01 1.86 3.332005254e+01 3.332005254e+01 1.88 2.817309468e+01 2.817309468e+01 1.90 2.376049923e+01 2.376049923e+01 1.92 1.997650619e+01 1.997650619e+01 1.94 1.673120973e+01 1.673120973e+01 1.96 1.394790928e+01 1.394790928e+01 1.98 1.156099049e+01 1.156099049e+01 2.00 9.514425970e+00 9.514425970e+00 2.02 7.760364612e+00 7.760364612e+00 2.04 6.257904408e+00 6.257904408e+00 2.06 4.971946419e+00 4.971946419e+00 2.08 3.872402079e+00 3.872402079e+00 2.10 2.933457326e+00 2.933457326e+00 2.12 2.132927688e+00 2.132927688e+00 2.14 1.451738432e+00 1.451738432e+00 2.16 8.734854395e-01 8.734854395e-01 2.18 3.840636403e-01 3.840636403e-01 2.20 -2.864759810e-02 -2.864759810e-02 2.22 -3.750930151e-01 -3.750930151e-01 2.24 -6.644113944e-01 -6.644113944e-01 2.26 -9.045287043e-01 -9.045287043e-01 2.28 -1.102288799e+00 -1.102288799e+00 2.30 -1.263602640e+00 -1.263602640e+00 2.32 -1.393569251e+00 -1.393569251e+00 2.34 -1.496579336e+00 -1.496579336e+00 2.36 -1.576460873e+00 -1.576460873e+00 2.38 -1.636604140e+00 -1.636604140e+00 2.40 -1.679956952e+00 -1.679956952e+00 2.42 -1.709073490e+00 -1.709073490e+00 2.44 -1.726162329e+00 -1.726162329e+00 2.46 -1.733127471e+00 -1.733127471e+00 2.48 -1.731603387e+00 -1.731603387e+00 2.50 -1.722984892e+00 -1.722984892e+00 2.52 -1.708452603e+00 -1.708452603e+00 2.54 -1.688994562e+00 -1.688994562e+00 2.56 -1.665424722e+00 -1.665424722e+00 2.58 -1.638431762e+00 -1.638431762e+00 2.60 -1.608641110e+00 -1.608641110e+00 2.62 -1.576569979e+00 -1.576569979e+00 2.64 -1.542648154e+00 -1.542648154e+00 2.66 -1.507292877e+00 -1.507292877e+00 2.68 -1.470883767e+00 -1.470883767e+00 2.70 -1.433745859e+00 -1.433745859e+00 2.72 -1.396141244e+00 -1.396141244e+00 2.74 -1.358279190e+00 -1.358279190e+00 2.76 -1.320337239e+00 -1.320337239e+00 2.78 -1.282465831e+00 -1.282465831e+00 2.80 -1.244791719e+00 -1.244791719e+00 2.82 -1.207420855e+00 -1.207420855e+00 2.84 -1.170440827e+00 -1.170440827e+00 2.86 -1.133922910e+00 -1.133922910e+00 2.88 -1.097928564e+00 -1.097928564e+00 2.90 -1.062521454e+00 -1.062521454e+00 2.92 -1.027759197e+00 -1.027759197e+00 2.94 -9.936921299e-01 -9.936921299e-01 2.96 -9.603642408e-01 -9.603642408e-01 2.98 -9.278139100e-01 -9.278139100e-01 3.00 -8.960745040e-01 -8.960745040e-01 3.02 -8.651748312e-01 -8.651748312e-01 3.04 -8.351394809e-01 -8.351394809e-01 3.06 -8.059890577e-01 -8.059890577e-01 3.08 -7.777403252e-01 -7.777403252e-01 3.10 -7.504062696e-01 -7.504062696e-01 3.12 -7.239960943e-01 -7.239960943e-01 3.14 -6.985151517e-01 -6.985151517e-01 3.16 -6.739647678e-01 -6.739647678e-01 3.18 -6.503384991e-01 -6.503384991e-01 3.20 -6.276203650e-01 -6.276203650e-01 3.22 -6.057906321e-01 -6.057906321e-01 3.24 -5.848260562e-01 -5.848260562e-01 3.26 -5.646995083e-01 -5.646995083e-01 3.28 -5.453795753e-01 -5.453795753e-01 3.30 -5.268301383e-01 -5.268301383e-01 3.32 -5.090129881e-01 -5.090129881e-01 3.34 -4.918974254e-01 -4.918974254e-01 3.36 -4.754522416e-01 -4.754522416e-01 3.38 -4.596425354e-01 -4.596425354e-01 3.40 -4.444293567e-01 -4.444293567e-01 3.42 -4.297693418e-01 -4.297693418e-01 3.44 -4.156143393e-01 -4.156143393e-01 3.46 -4.019133440e-01 -4.019133440e-01 3.48 -3.886383443e-01 -3.886383443e-01 3.50 -3.757786369e-01 -3.757786369e-01 3.52 -3.633245491e-01 -3.633245491e-01 3.54 -3.512670851e-01 -3.512670851e-01 3.56 -3.395978609e-01 -3.395978609e-01 3.58 -3.283090366e-01 -3.283090366e-01 3.60 -3.173932456e-01 -3.173932456e-01 3.62 -3.068435208e-01 -3.068435208e-01 3.64 -2.966532199e-01 -2.966532199e-01 3.66 -2.868159472e-01 -2.868159472e-01 3.68 -2.773254757e-01 -2.773254757e-01 3.70 -2.681756659e-01 -2.681756659e-01 3.72 -2.593603855e-01 -2.593603855e-01 3.74 -2.508734263e-01 -2.508734263e-01 3.76 -2.427084220e-01 -2.427084220e-01 3.78 -2.348587641e-01 -2.348587641e-01 3.80 -2.273175177e-01 -2.273175177e-01 3.82 -2.200773376e-01 -2.200773376e-01 3.84 -2.131303827e-01 -2.131303827e-01 3.86 -2.064682315e-01 -2.064682315e-01 3.88 -2.000817966e-01 -2.000817966e-01 3.90 -1.939612396e-01 -1.939612396e-01 3.92 -1.880958854e-01 -1.880958854e-01 3.94 -1.824741370e-01 -1.824741370e-01 3.96 -1.770833904e-01 -1.770833904e-01 3.98 -1.719099489e-01 -1.719099489e-01 4.00 -1.669389380e-01 -1.669389380e-01 4.02 -1.621542207e-01 -1.621542207e-01 4.04 -1.575383120e-01 -1.575383120e-01 4.06 -1.530742028e-01 -1.530742028e-01 4.08 -1.487536839e-01 -1.487536839e-01 4.10 -1.445716944e-01 -1.445716944e-01 4.12 -1.405233615e-01 -1.405233615e-01 4.14 -1.366039928e-01 -1.366039928e-01 4.16 -1.328090693e-01 -1.328090693e-01 4.18 -1.291342399e-01 -1.291342399e-01 4.20 -1.255753144e-01 -1.255753144e-01 4.22 -1.221282581e-01 -1.221282581e-01 4.24 -1.187891855e-01 -1.187891855e-01 4.26 -1.155543554e-01 -1.155543554e-01 4.28 -1.124201649e-01 -1.124201649e-01 4.30 -1.093831446e-01 -1.093831446e-01 4.32 -1.064399531e-01 -1.064399531e-01 4.34 -1.035873726e-01 -1.035873726e-01 4.36 -1.008223041e-01 -1.008223041e-01 4.38 -9.814176271e-02 -9.814176271e-02 4.40 -9.554287336e-02 -9.554287336e-02 4.42 -9.302286671e-02 -9.302286671e-02 4.44 -9.057907499e-02 -9.057907499e-02 4.46 -8.820892817e-02 -8.820892817e-02 4.48 -8.590964547e-02 -8.590964547e-02 4.50 -8.367737371e-02 -8.367737371e-02 4.52 -8.150820715e-02 -8.150820715e-02 4.54 -7.939850171e-02 -7.939850171e-02 4.56 -7.734486586e-02 -7.734486586e-02 4.58 -7.534415153e-02 -7.534415153e-02 4.60 -7.339344520e-02 -7.339344520e-02 4.62 -7.149005895e-02 -7.149005895e-02 4.64 -6.963152170e-02 -6.963152170e-02 4.66 -6.781557045e-02 -6.781557045e-02 4.68 -6.604014160e-02 -6.604014160e-02 4.70 -6.430336237e-02 -6.430336237e-02 4.72 -6.260354227e-02 -6.260354227e-02 4.74 -6.093916462e-02 -6.093916462e-02 4.76 -5.930887813e-02 -5.930887813e-02 4.78 -5.771148861e-02 -5.771148861e-02 4.80 -5.614595060e-02 -5.614595060e-02 4.82 -5.461135923e-02 -5.461135923e-02 4.84 -5.310694196e-02 -5.310694196e-02 4.86 -5.163205049e-02 -5.163205049e-02 4.88 -5.018615268e-02 -5.018615268e-02 4.90 -4.876882454e-02 -4.876882454e-02 4.92 -4.737974219e-02 -4.737974219e-02 4.94 -4.601867396e-02 -4.601867396e-02 4.96 -4.468547251e-02 -4.468547251e-02 4.98 -4.338006691e-02 -4.338006691e-02 5.00 -4.210245489e-02 -4.210245489e-02 5.02 -4.085269502e-02 -4.085269502e-02 5.04 -3.963089898e-02 -3.963089898e-02 5.06 -3.843722384e-02 -3.843722384e-02 5.08 -3.727186440e-02 -3.727186440e-02 5.10 -3.613504555e-02 -3.613504555e-02 5.12 -3.502701462e-02 -3.502701462e-02 5.14 -3.394803385e-02 -3.394803385e-02 5.16 -3.289833918e-02 -3.289833918e-02 5.18 -3.187741267e-02 -3.187741267e-02 5.20 -3.088405841e-02 -3.088405841e-02 5.22 -2.991716760e-02 -2.991716760e-02 5.24 -2.897574172e-02 -2.897574172e-02 5.26 -2.805888117e-02 -2.805888117e-02 5.28 -2.716577403e-02 -2.716577403e-02 5.30 -2.629568477e-02 -2.629568477e-02 5.32 -2.544794297e-02 -2.544794297e-02 5.34 -2.462193205e-02 -2.462193205e-02 5.36 -2.381707797e-02 -2.381707797e-02 5.38 -2.303283796e-02 -2.303283796e-02 5.40 -2.226868925e-02 -2.226868925e-02 5.42 -2.152411776e-02 -2.152411776e-02 5.44 -2.079860686e-02 -2.079860686e-02 5.46 -2.009162605e-02 -2.009162605e-02 5.48 -1.940261970e-02 -1.940261970e-02 5.50 -1.873099578e-02 -1.873099578e-02 5.52 -1.807611456e-02 -1.807611456e-02 5.54 -1.743727733e-02 -1.743727733e-02 5.56 -1.681371512e-02 -1.681371512e-02 5.58 -1.620457745e-02 -1.620457745e-02 5.60 -1.560892101e-02 -1.560892101e-02 5.62 -1.502569838e-02 -1.502569838e-02 5.64 -1.445374679e-02 -1.445374679e-02 5.66 -1.389177679e-02 -1.389177679e-02 5.68 -1.333836102e-02 -1.333836102e-02 5.70 -1.279192288e-02 -1.279192288e-02 5.72 -1.225072932e-02 -1.225072932e-02 5.74 -1.171363543e-02 -1.171363543e-02 5.76 -1.118105242e-02 -1.118105242e-02 5.78 -1.065362590e-02 -1.065362590e-02 5.80 -1.013202644e-02 -1.013202644e-02 5.82 -9.616945126e-03 -9.616945126e-03 5.84 -9.109089102e-03 -9.109089102e-03 5.86 -8.609177158e-03 -8.609177158e-03 5.88 -8.117935269e-03 -8.117935269e-03 5.90 -7.636092154e-03 -7.636092154e-03 5.92 -7.164374838e-03 -7.164374838e-03 5.94 -6.703504208e-03 -6.703504208e-03 5.96 -6.254190566e-03 -6.254190566e-03 5.98 -5.817129197e-03 -5.817129197e-03 6.00 -5.392995917e-03 -5.392995917e-03