# 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 = 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 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 2.698099088e+04 2.698099088e+04 1.12 2.169338342e+04 2.169338342e+04 1.14 1.750572314e+04 1.750572314e+04 1.16 1.417595274e+04 1.417595274e+04 1.18 1.151814366e+04 1.151814366e+04 1.20 9.388833805e+03 9.388833805e+03 1.22 7.676844873e+03 7.676844873e+03 1.24 6.295652969e+03 6.295652969e+03 1.26 5.177646955e+03 5.177646955e+03 1.28 4.269785659e+03 4.269785659e+03 1.30 3.530297920e+03 3.530297920e+03 1.32 2.926167405e+03 2.926167405e+03 1.34 2.431204608e+03 2.431204608e+03 1.36 2.024562391e+03 2.024562391e+03 1.38 1.689590988e+03 1.689590988e+03 1.40 1.412950082e+03 1.412950082e+03 1.42 1.183916760e+03 1.183916760e+03 1.44 9.938454360e+02 9.938454360e+02 1.46 8.357453693e+02 8.357453693e+02 1.48 7.039478735e+02 7.039478735e+02 1.50 5.938438166e+02 5.938438166e+02 1.52 5.016749937e+02 5.016749937e+02 1.54 4.243690147e+02 4.243690147e+02 1.56 3.594076581e+02 3.594076581e+02 1.58 3.047216959e+02 3.047216959e+02 1.60 2.586071298e+02 2.586071298e+02 1.62 2.196572182e+02 2.196572182e+02 1.64 1.867074593e+02 1.867074593e+02 1.66 1.587920467e+02 1.587920467e+02 1.68 1.351083450e+02 1.351083450e+02 1.70 1.149879615e+02 1.149879615e+02 1.72 9.787328205e+01 9.787328205e+01 1.74 8.329829853e+01 8.329829853e+01 1.76 7.087270180e+01 7.087270180e+01 1.78 6.026878178e+01 6.026878178e+01 1.80 5.121102636e+01 5.121102636e+01 1.82 4.346750754e+01 4.346750754e+01 1.84 3.684255433e+01 3.684255433e+01 1.86 3.117087960e+01 3.117087960e+01 1.88 2.631272777e+01 2.631272777e+01 1.90 2.214979544e+01 2.214979544e+01 1.92 1.858183591e+01 1.858183591e+01 1.94 1.552364036e+01 1.552364036e+01 1.96 1.290252033e+01 1.290252033e+01 1.98 1.065629606e+01 1.065629606e+01 2.00 8.731879985e+00 8.731879985e+00 2.02 7.083939540e+00 7.083939540e+00 2.04 5.673732912e+00 5.673732912e+00 2.06 4.468018971e+00 4.468018971e+00 2.08 3.438307264e+00 3.438307264e+00 2.10 2.560160009e+00 2.560160009e+00 2.12 1.812579825e+00 1.812579825e+00 2.14 1.177516874e+00 1.177516874e+00 2.16 6.394525953e-01 6.394525953e-01 2.18 1.850475615e-01 1.850475615e-01 2.20 -1.971566352e-01 -1.971566352e-01 2.22 -5.170307764e-01 -5.170307764e-01 2.24 -7.832121783e-01 -7.832121783e-01 2.26 -1.003190255e+00 -1.003190255e+00 2.28 -1.183429374e+00 -1.183429374e+00 2.30 -1.329510356e+00 -1.329510356e+00 2.32 -1.446244985e+00 -1.446244985e+00 2.34 -1.537774086e+00 -1.537774086e+00 2.36 -1.607706873e+00 -1.607706873e+00 2.38 -1.659240602e+00 -1.659240602e+00 2.40 -1.695154108e+00 -1.695154108e+00 2.42 -1.717853779e+00 -1.717853779e+00 2.44 -1.729418961e+00 -1.729418961e+00 2.46 -1.731640734e+00 -1.731640734e+00 2.48 -1.726055000e+00 -1.726055000e+00 2.50 -1.713970691e+00 -1.713970691e+00 2.52 -1.696493768e+00 -1.696493768e+00 2.54 -1.674547609e+00 -1.674547609e+00 2.56 -1.648890409e+00 -1.648890409e+00 2.58 -1.620162221e+00 -1.620162221e+00 2.60 -1.588944931e+00 -1.588944931e+00 2.62 -1.555718041e+00 -1.555718041e+00 2.64 -1.520878558e+00 -1.520878558e+00 2.66 -1.484813587e+00 -1.484813587e+00 2.68 -1.447875658e+00 -1.447875658e+00 2.70 -1.410365979e+00 -1.410365979e+00 2.72 -1.372526094e+00 -1.372526094e+00 2.74 -1.334547558e+00 -1.334547558e+00 2.76 -1.296592309e+00 -1.296592309e+00 2.78 -1.258797031e+00 -1.258797031e+00 2.80 -1.221276354e+00 -1.221276354e+00 2.82 -1.184125552e+00 -1.184125552e+00 2.84 -1.147422823e+00 -1.147422823e+00 2.86 -1.111231194e+00 -1.111231194e+00 2.88 -1.075604773e+00 -1.075604773e+00 2.90 -1.040600393e+00 -1.040600393e+00 2.92 -1.006269505e+00 -1.006269505e+00 2.94 -9.726569323e-01 -9.726569323e-01 2.96 -9.398017226e-01 -9.398017226e-01 2.98 -9.077378326e-01 -9.077378326e-01 3.00 -8.764946651e-01 -8.764946651e-01 3.02 -8.460974812e-01 -8.460974812e-01 3.04 -8.165676986e-01 -8.165676986e-01 3.06 -7.879230940e-01 -7.879230940e-01 3.08 -7.601779186e-01 -7.601779186e-01 3.10 -7.333429390e-01 -7.333429390e-01 3.12 -7.074254119e-01 -7.074254119e-01 3.14 -6.824290015e-01 -6.824290015e-01 3.16 -6.583535924e-01 -6.583535924e-01 3.18 -6.351916315e-01 -6.351916315e-01 3.20 -6.129263937e-01 -6.129263937e-01 3.22 -5.915376040e-01 -5.915376040e-01 3.24 -5.710016627e-01 -5.710016627e-01 3.26 -5.512912725e-01 -5.512912725e-01 3.28 -5.323750415e-01 -5.323750415e-01 3.30 -5.142170656e-01 -5.142170656e-01 3.32 -4.967794702e-01 -4.967794702e-01 3.34 -4.800317594e-01 -4.800317594e-01 3.36 -4.639429974e-01 -4.639429974e-01 3.38 -4.484787013e-01 -4.484787013e-01 3.40 -4.336004907e-01 -4.336004907e-01 3.42 -4.192657285e-01 -4.192657285e-01 3.44 -4.054271530e-01 -4.054271530e-01 3.46 -3.920347573e-01 -3.920347573e-01 3.48 -3.790609476e-01 -3.790609476e-01 3.50 -3.664950059e-01 -3.664950059e-01 3.52 -3.543272426e-01 -3.543272426e-01 3.54 -3.425486495e-01 -3.425486495e-01 3.56 -3.311508347e-01 -3.311508347e-01 3.58 -3.201259548e-01 -3.201259548e-01 3.60 -3.094666443e-01 -3.094666443e-01 3.62 -2.991659428e-01 -2.991659428e-01 3.64 -2.892172199e-01 -2.892172199e-01 3.66 -2.796140987e-01 -2.796140987e-01 3.68 -2.703503782e-01 -2.703503782e-01 3.70 -2.614199540e-01 -2.614199540e-01 3.72 -2.528167383e-01 -2.528167383e-01 3.74 -2.445345787e-01 -2.445345787e-01 3.76 -2.365671772e-01 -2.365671772e-01 3.78 -2.289080076e-01 -2.289080076e-01 3.80 -2.215502331e-01 -2.215502331e-01 3.82 -2.144866234e-01 -2.144866234e-01 3.84 -2.077094715e-01 -2.077094715e-01 3.86 -2.012105107e-01 -2.012105107e-01 3.88 -1.949808305e-01 -1.949808305e-01 3.90 -1.890107937e-01 -1.890107937e-01 3.92 -1.832899529e-01 -1.832899529e-01 3.94 -1.778069663e-01 -1.778069663e-01 3.96 -1.725495153e-01 -1.725495153e-01 3.98 -1.675042202e-01 -1.675042202e-01 4.00 -1.626565576e-01 -1.626565576e-01 4.02 -1.579907771e-01 -1.579907771e-01 4.04 -1.534898182e-01 -1.534898182e-01 4.06 -1.491370862e-01 -1.491370862e-01 4.08 -1.449245590e-01 -1.449245590e-01 4.10 -1.408472819e-01 -1.408472819e-01 4.12 -1.369004857e-01 -1.369004857e-01 4.14 -1.330795786e-01 -1.330795786e-01 4.16 -1.293801392e-01 -1.293801392e-01 4.18 -1.257979111e-01 -1.257979111e-01 4.20 -1.223287959e-01 -1.223287959e-01 4.22 -1.189688479e-01 -1.189688479e-01 4.24 -1.157142681e-01 -1.157142681e-01 4.26 -1.125613988e-01 -1.125613988e-01 4.28 -1.095067181e-01 -1.095067181e-01 4.30 -1.065468349e-01 -1.065468349e-01 4.32 -1.036784841e-01 -1.036784841e-01 4.34 -1.008985213e-01 -1.008985213e-01 4.36 -9.820391854e-02 -9.820391854e-02 4.38 -9.559175986e-02 -9.559175986e-02 4.40 -9.305923684e-02 -9.305923684e-02 4.42 -9.060364456e-02 -9.060364456e-02 4.44 -8.822237761e-02 -8.822237761e-02 4.46 -8.591292626e-02 -8.591292626e-02 4.48 -8.367257584e-02 -8.367257584e-02 4.50 -8.149756725e-02 -8.149756725e-02 4.52 -7.938409053e-02 -7.938409053e-02 4.54 -7.732859097e-02 -7.732859097e-02 4.56 -7.532776024e-02 -7.532776024e-02 4.58 -7.337852752e-02 -7.337852752e-02 4.60 -7.147805076e-02 -7.147805076e-02 4.62 -6.962370799e-02 -6.962370799e-02 4.64 -6.781308874e-02 -6.781308874e-02 4.66 -6.604398545e-02 -6.604398545e-02 4.68 -6.431438510e-02 -6.431438510e-02 4.70 -6.262246074e-02 -6.262246074e-02 4.72 -6.096656321e-02 -6.096656321e-02 4.74 -5.934521284e-02 -5.934521284e-02 4.76 -5.775709130e-02 -5.775709130e-02 4.78 -5.620103341e-02 -5.620103341e-02 4.80 -5.467601909e-02 -5.467601909e-02 4.82 -5.318116531e-02 -5.318116531e-02 4.84 -5.171571810e-02 -5.171571810e-02 4.86 -5.027904468e-02 -5.027904468e-02 4.88 -4.887062550e-02 -4.887062550e-02 4.90 -4.749004648e-02 -4.749004648e-02 4.92 -4.613699120e-02 -4.613699120e-02 4.94 -4.481123312e-02 -4.481123312e-02 4.96 -4.351262796e-02 -4.351262796e-02 4.98 -4.224110596e-02 -4.224110596e-02 5.00 -4.099666430e-02 -4.099666430e-02 5.02 -3.977935952e-02 -3.977935952e-02 5.04 -3.858929993e-02 -3.858929993e-02 5.06 -3.742663816e-02 -3.742663816e-02 5.08 -3.629156360e-02 -3.629156360e-02 5.10 -3.518429503e-02 -3.518429503e-02 5.12 -3.410507313e-02 -3.410507313e-02 5.14 -3.305415314e-02 -3.305415314e-02 5.16 -3.203176473e-02 -3.203176473e-02 5.18 -3.103740382e-02 -3.103740382e-02 5.20 -3.006990644e-02 -3.006990644e-02 5.22 -2.912819342e-02 -2.912819342e-02 5.24 -2.821129290e-02 -2.821129290e-02 5.26 -2.731832931e-02 -2.731832931e-02 5.28 -2.644851239e-02 -2.644851239e-02 5.30 -2.560112620e-02 -2.560112620e-02 5.32 -2.477551817e-02 -2.477551817e-02 5.34 -2.397108803e-02 -2.397108803e-02 5.36 -2.318727691e-02 -2.318727691e-02 5.38 -2.242355629e-02 -2.242355629e-02 5.40 -2.167941705e-02 -2.167941705e-02 5.42 -2.095435846e-02 -2.095435846e-02 5.44 -2.024787719e-02 -2.024787719e-02 5.46 -1.955945635e-02 -1.955945635e-02 5.48 -1.888855448e-02 -1.888855448e-02 5.50 -1.823459455e-02 -1.823459455e-02 5.52 -1.759695300e-02 -1.759695300e-02 5.54 -1.697494874e-02 -1.697494874e-02 5.56 -1.636783216e-02 -1.636783216e-02 5.58 -1.577477413e-02 -1.577477413e-02 5.60 -1.519485506e-02 -1.519485506e-02 5.62 -1.462705384e-02 -1.462705384e-02 5.64 -1.407023691e-02 -1.407023691e-02 5.66 -1.352314724e-02 -1.352314724e-02 5.68 -1.298439338e-02 -1.298439338e-02 5.70 -1.245243842e-02 -1.245243842e-02 5.72 -1.192559298e-02 -1.192559298e-02 5.74 -1.140274071e-02 -1.140274071e-02 5.76 -1.088428157e-02 -1.088428157e-02 5.78 -1.037084385e-02 -1.037084385e-02 5.80 -9.863080178e-03 -9.863080178e-03 5.82 -9.361663141e-03 -9.361663141e-03 5.84 -8.867280986e-03 -8.867280986e-03 5.86 -8.380633289e-03 -8.380633289e-03 5.88 -7.902426631e-03 -7.902426631e-03 5.90 -7.433370272e-03 -7.433370272e-03 5.92 -6.974171829e-03 -6.974171829e-03 5.94 -6.525532950e-03 -6.525532950e-03 5.96 -6.088144989e-03 -6.088144989e-03 5.98 -5.662684682e-03 -5.662684682e-03 6.00 -5.249809824e-03 -5.249809824e-03