# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 # composition = Al2CoNi # 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 3.934638337e+04 3.934638337e+04 1.12 3.535925399e+04 3.535925399e+04 1.14 3.168006852e+04 3.168006852e+04 1.16 2.829106551e+04 2.829106551e+04 1.18 2.517462038e+04 2.517462038e+04 1.20 2.231370052e+04 2.231370052e+04 1.22 1.968834776e+04 1.968834776e+04 1.24 1.727969008e+04 1.727969008e+04 1.26 1.507116468e+04 1.507116468e+04 1.28 1.305074482e+04 1.305074482e+04 1.30 1.120680463e+04 1.120680463e+04 1.32 9.529862216e+03 9.529862216e+03 1.34 8.012226476e+03 8.012226476e+03 1.36 6.644856733e+03 6.644856733e+03 1.38 5.414011549e+03 5.414011549e+03 1.40 4.385494873e+03 4.385494873e+03 1.42 3.609672446e+03 3.609672446e+03 1.44 3.010877791e+03 3.010877791e+03 1.46 2.530782577e+03 2.530782577e+03 1.48 2.125676374e+03 2.125676374e+03 1.50 1.776060975e+03 1.776060975e+03 1.52 1.476144661e+03 1.476144661e+03 1.54 1.220646290e+03 1.220646290e+03 1.56 1.004573552e+03 1.004573552e+03 1.58 8.232346301e+02 8.232346301e+02 1.60 6.722377682e+02 6.722377682e+02 1.62 5.475287937e+02 5.475287937e+02 1.64 4.453618228e+02 4.453618228e+02 1.66 3.622336759e+02 3.622336759e+02 1.68 2.949423401e+02 2.949423401e+02 1.70 2.406305750e+02 2.406305750e+02 1.72 1.967937824e+02 1.967937824e+02 1.74 1.612803690e+02 1.612803690e+02 1.76 1.322894527e+02 1.322894527e+02 1.78 1.083942452e+02 1.083942452e+02 1.80 8.854390545e+01 8.854390545e+01 1.82 7.203828100e+01 7.203828100e+01 1.84 5.837813326e+01 5.837813326e+01 1.86 4.711826318e+01 4.711826318e+01 1.88 3.786353620e+01 3.786353620e+01 1.90 3.026222682e+01 3.026222682e+01 1.92 2.400726876e+01 2.400726876e+01 1.94 1.883661510e+01 1.883661510e+01 1.96 1.453325363e+01 1.453325363e+01 1.98 1.092636812e+01 1.092636812e+01 2.00 7.890724742e+00 7.890724742e+00 2.02 5.344802050e+00 5.344802050e+00 2.04 3.230848415e+00 3.230848415e+00 2.06 1.496796126e+00 1.496796126e+00 2.08 9.444743129e-02 9.444743129e-02 2.10 -1.021492650e+00 -1.021492650e+00 2.12 -1.894003340e+00 -1.894003340e+00 2.14 -2.565692816e+00 -2.565692816e+00 2.16 -3.076193422e+00 -3.076193422e+00 2.18 -3.460553134e+00 -3.460553134e+00 2.20 -3.747696308e+00 -3.747696308e+00 2.22 -3.960724437e+00 -3.960724437e+00 2.24 -4.117947782e+00 -4.117947782e+00 2.26 -4.233322012e+00 -4.233322012e+00 2.28 -4.316683400e+00 -4.316683400e+00 2.30 -4.374267310e+00 -4.374267310e+00 2.32 -4.411043121e+00 -4.411043121e+00 2.34 -4.433985913e+00 -4.433985913e+00 2.36 -4.452294184e+00 -4.452294184e+00 2.38 -4.471973165e+00 -4.471973165e+00 2.40 -4.492744808e+00 -4.492744808e+00 2.42 -4.510978618e+00 -4.510978618e+00 2.44 -4.523433219e+00 -4.523433219e+00 2.46 -4.528821122e+00 -4.528821122e+00 2.48 -4.527461607e+00 -4.527461607e+00 2.50 -4.519564396e+00 -4.519564396e+00 2.52 -4.505350964e+00 -4.505350964e+00 2.54 -4.484921281e+00 -4.484921281e+00 2.56 -4.458480499e+00 -4.458480499e+00 2.58 -4.426304962e+00 -4.426304962e+00 2.60 -4.388873884e+00 -4.388873884e+00 2.62 -4.346678702e+00 -4.346678702e+00 2.64 -4.300108008e+00 -4.300108008e+00 2.66 -4.249440525e+00 -4.249440525e+00 2.68 -4.194850147e+00 -4.194850147e+00 2.70 -4.136392503e+00 -4.136392503e+00 2.72 -4.074026410e+00 -4.074026410e+00 2.74 -4.007706447e+00 -4.007706447e+00 2.76 -3.937519120e+00 -3.937519120e+00 2.78 -3.863976429e+00 -3.863976429e+00 2.80 -3.788088621e+00 -3.788088621e+00 2.82 -3.711287078e+00 -3.711287078e+00 2.84 -3.635030300e+00 -3.635030300e+00 2.86 -3.560326840e+00 -3.560326840e+00 2.88 -3.487507458e+00 -3.487507458e+00 2.90 -3.416372965e+00 -3.416372965e+00 2.92 -3.346492135e+00 -3.346492135e+00 2.94 -3.277425507e+00 -3.277425507e+00 2.96 -3.208909542e+00 -3.208909542e+00 2.98 -3.141041684e+00 -3.141041684e+00 3.00 -3.074397934e+00 -3.074397934e+00 3.02 -3.010023725e+00 -3.010023725e+00 3.04 -2.949139528e+00 -2.949139528e+00 3.06 -2.892539565e+00 -2.892539565e+00 3.08 -2.840188530e+00 -2.840188530e+00 3.10 -2.791376685e+00 -2.791376685e+00 3.12 -2.745178899e+00 -2.745178899e+00 3.14 -2.700822734e+00 -2.700822734e+00 3.16 -2.657838395e+00 -2.657838395e+00 3.18 -2.616043929e+00 -2.616043929e+00 3.20 -2.575291655e+00 -2.575291655e+00 3.22 -2.535409496e+00 -2.535409496e+00 3.24 -2.496162512e+00 -2.496162512e+00 3.26 -2.457245828e+00 -2.457245828e+00 3.28 -2.418359016e+00 -2.418359016e+00 3.30 -2.379157525e+00 -2.379157525e+00 3.32 -2.339440602e+00 -2.339440602e+00 3.34 -2.298696247e+00 -2.298696247e+00 3.36 -2.256436062e+00 -2.256436062e+00 3.38 -2.212221363e+00 -2.212221363e+00 3.40 -2.166375437e+00 -2.166375437e+00 3.42 -2.120992046e+00 -2.120992046e+00 3.44 -2.078504373e+00 -2.078504373e+00 3.46 -2.039162766e+00 -2.039162766e+00 3.48 -2.001938785e+00 -2.001938785e+00 3.50 -1.965913339e+00 -1.965913339e+00 3.52 -1.930859753e+00 -1.930859753e+00 3.54 -1.899088775e+00 -1.899088775e+00 3.56 -1.873306593e+00 -1.873306593e+00 3.58 -1.851671205e+00 -1.851671205e+00 3.60 -1.832064534e+00 -1.832064534e+00 3.62 -1.813515486e+00 -1.813515486e+00 3.64 -1.795590702e+00 -1.795590702e+00 3.66 -1.778084090e+00 -1.778084090e+00 3.68 -1.760893426e+00 -1.760893426e+00 3.70 -1.743964551e+00 -1.743964551e+00 3.72 -1.727270688e+00 -1.727270688e+00 3.74 -1.710798981e+00 -1.710798981e+00 3.76 -1.694538392e+00 -1.694538392e+00 3.78 -1.678477163e+00 -1.678477163e+00 3.80 -1.662602415e+00 -1.662602415e+00 3.82 -1.646900395e+00 -1.646900395e+00 3.84 -1.631356524e+00 -1.631356524e+00 3.86 -1.615957648e+00 -1.615957648e+00 3.88 -1.600682962e+00 -1.600682962e+00 3.90 -1.585531370e+00 -1.585531370e+00 3.92 -1.570494186e+00 -1.570494186e+00 3.94 -1.555561154e+00 -1.555561154e+00 3.96 -1.540720391e+00 -1.540720391e+00 3.98 -1.525958380e+00 -1.525958380e+00 4.00 -1.511259958e+00 -1.511259958e+00 4.02 -1.496608359e+00 -1.496608359e+00 4.04 -1.481985246e+00 -1.481985246e+00 4.06 -1.467370820e+00 -1.467370820e+00 4.08 -1.452747940e+00 -1.452747940e+00 4.10 -1.438105312e+00 -1.438105312e+00 4.12 -1.423431109e+00 -1.423431109e+00 4.14 -1.408712331e+00 -1.408712331e+00 4.16 -1.393934899e+00 -1.393934899e+00 4.18 -1.379083769e+00 -1.379083769e+00 4.20 -1.364143013e+00 -1.364143013e+00 4.22 -1.349095915e+00 -1.349095915e+00 4.24 -1.333926353e+00 -1.333926353e+00 4.26 -1.318622304e+00 -1.318622304e+00 4.28 -1.303174219e+00 -1.303174219e+00 4.30 -1.287579020e+00 -1.287579020e+00 4.32 -1.271835808e+00 -1.271835808e+00 4.34 -1.255944552e+00 -1.255944552e+00 4.36 -1.239909532e+00 -1.239909532e+00 4.38 -1.223739527e+00 -1.223739527e+00 4.40 -1.207444418e+00 -1.207444418e+00 4.42 -1.191034964e+00 -1.191034964e+00 4.44 -1.174522723e+00 -1.174522723e+00 4.46 -1.157920129e+00 -1.157920129e+00 4.48 -1.141240745e+00 -1.141240745e+00 4.50 -1.124499279e+00 -1.124499279e+00 4.52 -1.107710462e+00 -1.107710462e+00 4.54 -1.090882663e+00 -1.090882663e+00 4.56 -1.074021328e+00 -1.074021328e+00 4.58 -1.057132460e+00 -1.057132460e+00 4.60 -1.040222693e+00 -1.040222693e+00 4.62 -1.023299153e+00 -1.023299153e+00 4.64 -1.006369307e+00 -1.006369307e+00 4.66 -9.894408087e-01 -9.894408087e-01 4.68 -9.725213197e-01 -9.725213197e-01 4.70 -9.556183344e-01 -9.556183344e-01 4.72 -9.387384756e-01 -9.387384756e-01 4.74 -9.218825659e-01 -9.218825659e-01 4.76 -9.050473800e-01 -9.050473800e-01 4.78 -8.882283161e-01 -8.882283161e-01 4.80 -8.714192534e-01 -8.714192534e-01 4.82 -8.546123804e-01 -8.546123804e-01 4.84 -8.377980322e-01 -8.377980322e-01 4.86 -8.209645350e-01 -8.209645350e-01 4.88 -8.040980588e-01 -8.040980588e-01 4.90 -7.871824685e-01 -7.871824685e-01 4.92 -7.701991879e-01 -7.701991879e-01 4.94 -7.531270527e-01 -7.531270527e-01 4.96 -7.359421686e-01 -7.359421686e-01 4.98 -7.186177623e-01 -7.186177623e-01 5.00 -7.011240805e-01 -7.011240805e-01 5.02 -6.834292462e-01 -6.834292462e-01 5.04 -6.655022265e-01 -6.655022265e-01 5.06 -6.473113206e-01 -6.473113206e-01 5.08 -6.288252320e-01 -6.288252320e-01 5.10 -6.100166869e-01 -6.100166869e-01 5.12 -5.908684095e-01 -5.908684095e-01 5.14 -5.713816940e-01 -5.713816940e-01 5.16 -5.515868138e-01 -5.515868138e-01 5.18 -5.315526982e-01 -5.315526982e-01 5.20 -5.113912970e-01 -5.113912970e-01 5.22 -4.912517142e-01 -4.912517142e-01 5.24 -4.713013396e-01 -4.713013396e-01 5.26 -4.516975903e-01 -4.516975903e-01 5.28 -4.325593034e-01 -4.325593034e-01 5.30 -4.139497459e-01 -4.139497459e-01 5.32 -3.958769216e-01 -3.958769216e-01 5.34 -3.783093098e-01 -3.783093098e-01 5.36 -3.611980485e-01 -3.611980485e-01 5.38 -3.444962693e-01 -3.444962693e-01 5.40 -3.281709623e-01 -3.281709623e-01 5.42 -3.122066711e-01 -3.122066711e-01 5.44 -2.966039902e-01 -2.966039902e-01 5.46 -2.811902328e-01 -2.811902328e-01 5.48 -2.664357259e-01 -2.664357259e-01 5.50 -2.520746496e-01 -2.520746496e-01 5.52 -2.381178792e-01 -2.381178792e-01 5.54 -2.245680649e-01 -2.245680649e-01 5.56 -2.114229864e-01 -2.114229864e-01 5.58 -1.986783668e-01 -1.986783668e-01 5.60 -1.863303846e-01 -1.863303846e-01 5.62 -1.743762560e-01 -1.743762560e-01 5.64 -1.628142208e-01 -1.628142208e-01 5.66 -1.516453401e-01 -1.516453401e-01 5.68 -1.408722412e-01 -1.408722412e-01 5.70 -1.304974381e-01 -1.304974381e-01 5.72 -1.205244287e-01 -1.205244287e-01 5.74 -1.109510489e-01 -1.109510489e-01 5.76 -1.017755340e-01 -1.017755340e-01 5.78 -9.300454163e-02 -9.300454163e-02 5.80 -8.465097617e-02 -8.465097617e-02 5.82 -7.667888557e-02 -7.667888557e-02 5.84 -6.905139646e-02 -6.905139646e-02 5.86 -6.177469039e-02 -6.177469039e-02 5.88 -5.493494040e-02 -5.493494040e-02 5.90 -4.861612669e-02 -4.861612669e-02 5.92 -4.287282409e-02 -4.287282409e-02 5.94 -3.768427480e-02 -3.768427480e-02 5.96 -3.308219380e-02 -3.308219380e-02 5.98 -2.908379655e-02 -2.908379655e-02 6.00 -2.567215893e-02 -2.567215893e-02