# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # composition = MoNbW2 # 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 2024-01-04 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 1.783308157e+10 1.783308157e+10 1.08 1.192235134e+10 1.192235134e+10 1.10 7.970718084e+09 7.970718084e+09 1.12 5.328843848e+09 5.328843848e+09 1.14 3.562612197e+09 3.562612197e+09 1.16 2.381793547e+09 2.381793547e+09 1.18 1.592354212e+09 1.592354212e+09 1.20 1.064572504e+09 1.064572504e+09 1.22 7.117226721e+08 7.117226721e+08 1.24 4.758240130e+08 4.758240130e+08 1.26 3.181133725e+08 3.181133725e+08 1.28 2.126755329e+08 2.126755329e+08 1.30 1.421848050e+08 1.421848050e+08 1.32 9.505805403e+07 9.505805403e+07 1.34 6.355134692e+07 6.355134692e+07 1.36 4.248745823e+07 4.248745823e+07 1.38 2.840514190e+07 2.840514190e+07 1.40 1.899037266e+07 1.899037266e+07 1.42 1.269610323e+07 1.269610323e+07 1.44 8.488051946e+06 8.488051946e+06 1.46 5.674747296e+06 5.674747296e+06 1.48 3.793904686e+06 3.793904686e+06 1.50 2.536462029e+06 2.536462029e+06 1.52 1.695794634e+06 1.695794634e+06 1.54 1.133763651e+06 1.133763651e+06 1.56 7.580157957e+05 7.580157957e+05 1.58 5.068080355e+05 5.068080355e+05 1.60 3.388619720e+05 3.388619720e+05 1.62 2.265807560e+05 2.265807560e+05 1.64 1.515142572e+05 1.515142572e+05 1.66 1.013278392e+05 1.013278392e+05 1.68 6.777530629e+04 6.777530629e+04 1.70 4.534344229e+04 4.534344229e+04 1.72 3.034628883e+04 3.034628883e+04 1.74 2.031959989e+04 2.031959989e+04 1.76 1.361608469e+04 1.361608469e+04 1.78 9.134413611e+03 9.134413611e+03 1.80 6.138213743e+03 6.138213743e+03 1.82 4.134901612e+03 4.134901612e+03 1.84 2.795437932e+03 2.795437932e+03 1.86 1.899884353e+03 1.899884353e+03 1.88 1.301060598e+03 1.301060598e+03 1.90 9.005531189e+02 9.005531189e+02 1.92 6.324139490e+02 6.324139490e+02 1.94 4.525794673e+02 4.525794673e+02 1.96 3.318301945e+02 3.318301945e+02 1.98 2.506714268e+02 2.506714268e+02 2.00 1.961280890e+02 1.961280890e+02 2.02 1.595097992e+02 1.595097992e+02 2.04 1.349522698e+02 1.349522698e+02 2.06 1.183530113e+02 1.183530113e+02 2.08 1.069360743e+02 1.069360743e+02 2.10 9.905433712e+01 9.905433712e+01 2.12 9.417185482e+01 9.417185482e+01 2.14 9.022679282e+01 9.022679282e+01 2.16 8.757735666e+01 8.757735666e+01 2.18 8.573291934e+01 8.573291934e+01 2.20 8.432173107e+01 8.432173107e+01 2.22 8.325266477e+01 8.325266477e+01 2.24 8.247439154e+01 8.247439154e+01 2.26 8.192932057e+01 8.192932057e+01 2.28 8.154791829e+01 8.154791829e+01 2.30 8.125440411e+01 8.125440411e+01 2.32 7.474944778e+01 7.474944778e+01 2.34 5.751229354e+01 5.751229354e+01 2.36 3.167316774e+01 3.167316774e+01 2.38 1.324069342e+01 1.324069342e+01 2.40 3.012612339e+00 3.012612339e+00 2.42 -1.771653626e+00 -1.771653626e+00 2.44 -3.998119523e+00 -3.998119523e+00 2.46 -5.126070769e+00 -5.126070769e+00 2.48 -5.785918338e+00 -5.785918338e+00 2.50 -6.188836859e+00 -6.188836859e+00 2.52 -6.499321397e+00 -6.499321397e+00 2.54 -6.771457696e+00 -6.771457696e+00 2.56 -7.055165704e+00 -7.055165704e+00 2.58 -7.324080704e+00 -7.324080704e+00 2.60 -7.555399585e+00 -7.555399585e+00 2.62 -7.735434314e+00 -7.735434314e+00 2.64 -7.851505688e+00 -7.851505688e+00 2.66 -7.925652914e+00 -7.925652914e+00 2.68 -7.974435195e+00 -7.974435195e+00 2.70 -8.012911960e+00 -8.012911960e+00 2.72 -8.045164012e+00 -8.045164012e+00 2.74 -8.067967308e+00 -8.067967308e+00 2.76 -8.080996657e+00 -8.080996657e+00 2.78 -8.085066647e+00 -8.085066647e+00 2.80 -8.078882505e+00 -8.078882505e+00 2.82 -8.057809453e+00 -8.057809453e+00 2.84 -8.016480604e+00 -8.016480604e+00 2.86 -7.958427395e+00 -7.958427395e+00 2.88 -7.892213943e+00 -7.892213943e+00 2.90 -7.823470817e+00 -7.823470817e+00 2.92 -7.750695724e+00 -7.750695724e+00 2.94 -7.665349475e+00 -7.665349475e+00 2.96 -7.559755609e+00 -7.559755609e+00 2.98 -7.436269528e+00 -7.436269528e+00 3.00 -7.315375694e+00 -7.315375694e+00 3.02 -7.218498826e+00 -7.218498826e+00 3.04 -7.163782178e+00 -7.163782178e+00 3.06 -7.140943071e+00 -7.140943071e+00 3.08 -7.124919361e+00 -7.124919361e+00 3.10 -7.092629826e+00 -7.092629826e+00 3.12 -7.019015720e+00 -7.019015720e+00 3.14 -6.901147487e+00 -6.901147487e+00 3.16 -6.753294014e+00 -6.753294014e+00 3.18 -6.587817067e+00 -6.587817067e+00 3.20 -6.422833953e+00 -6.422833953e+00 3.22 -6.277748783e+00 -6.277748783e+00 3.24 -6.186571657e+00 -6.186571657e+00 3.26 -6.110423354e+00 -6.110423354e+00 3.28 -6.033679581e+00 -6.033679581e+00 3.30 -5.952337339e+00 -5.952337339e+00 3.32 -5.860193173e+00 -5.860193173e+00 3.34 -5.759887918e+00 -5.759887918e+00 3.36 -5.680400683e+00 -5.680400683e+00 3.38 -5.602671985e+00 -5.602671985e+00 3.40 -5.505864570e+00 -5.505864570e+00 3.42 -5.365233482e+00 -5.365233482e+00 3.44 -5.235186884e+00 -5.235186884e+00 3.46 -5.115194111e+00 -5.115194111e+00 3.48 -4.999763965e+00 -4.999763965e+00 3.50 -4.889805931e+00 -4.889805931e+00 3.52 -4.791746620e+00 -4.791746620e+00 3.54 -4.713773500e+00 -4.713773500e+00 3.56 -4.666605603e+00 -4.666605603e+00 3.58 -4.649607717e+00 -4.649607717e+00 3.60 -4.649006601e+00 -4.649006601e+00 3.62 -4.649906632e+00 -4.649906632e+00 3.64 -4.637534388e+00 -4.637534388e+00 3.66 -4.607893072e+00 -4.607893072e+00 3.68 -4.568514904e+00 -4.568514904e+00 3.70 -4.524762128e+00 -4.524762128e+00 3.72 -4.482077780e+00 -4.482077780e+00 3.74 -4.440595380e+00 -4.440595380e+00 3.76 -4.389222571e+00 -4.389222571e+00 3.78 -4.315626961e+00 -4.315626961e+00 3.80 -4.214596057e+00 -4.214596057e+00 3.82 -4.067494372e+00 -4.067494372e+00 3.84 -3.895033170e+00 -3.895033170e+00 3.86 -3.672915194e+00 -3.672915194e+00 3.88 -3.431303761e+00 -3.431303761e+00 3.90 -3.187185169e+00 -3.187185169e+00 3.92 -2.954062087e+00 -2.954062087e+00 3.94 -2.743836800e+00 -2.743836800e+00 3.96 -2.559302156e+00 -2.559302156e+00 3.98 -2.401162395e+00 -2.401162395e+00 4.00 -2.268799576e+00 -2.268799576e+00 4.02 -2.158903462e+00 -2.158903462e+00 4.04 -2.067492441e+00 -2.067492441e+00 4.06 -1.989999786e+00 -1.989999786e+00 4.08 -1.921424953e+00 -1.921424953e+00 4.10 -1.857590650e+00 -1.857590650e+00 4.12 -1.796955348e+00 -1.796955348e+00 4.14 -1.740716813e+00 -1.740716813e+00 4.16 -1.690583674e+00 -1.690583674e+00 4.18 -1.648850603e+00 -1.648850603e+00 4.20 -1.618661506e+00 -1.618661506e+00 4.22 -1.604231987e+00 -1.604231987e+00 4.24 -1.607194828e+00 -1.607194828e+00 4.26 -1.626296419e+00 -1.626296419e+00 4.28 -1.658729642e+00 -1.658729642e+00 4.30 -1.700821195e+00 -1.700821195e+00 4.32 -1.748883814e+00 -1.748883814e+00 4.34 -1.799715086e+00 -1.799715086e+00 4.36 -1.851019461e+00 -1.851019461e+00 4.38 -1.901022605e+00 -1.901022605e+00 4.40 -1.948235545e+00 -1.948235545e+00 4.42 -1.991347448e+00 -1.991347448e+00 4.44 -2.029151814e+00 -2.029151814e+00 4.46 -2.060472733e+00 -2.060472733e+00 4.48 -2.085245227e+00 -2.085245227e+00 4.50 -2.105335452e+00 -2.105335452e+00 4.52 -2.122704743e+00 -2.122704743e+00 4.54 -2.139206405e+00 -2.139206405e+00 4.56 -2.156605819e+00 -2.156605819e+00 4.58 -2.176196108e+00 -2.176196108e+00 4.60 -2.198207607e+00 -2.198207607e+00 4.62 -2.220980473e+00 -2.220980473e+00 4.64 -2.241434253e+00 -2.241434253e+00 4.66 -2.256584781e+00 -2.256584781e+00 4.68 -2.263589581e+00 -2.263589581e+00 4.70 -2.260492933e+00 -2.260492933e+00 4.72 -2.246462026e+00 -2.246462026e+00 4.74 -2.221259544e+00 -2.221259544e+00 4.76 -2.187488008e+00 -2.187488008e+00 4.78 -2.148987897e+00 -2.148987897e+00 4.80 -2.109795869e+00 -2.109795869e+00 4.82 -2.073081855e+00 -2.073081855e+00 4.84 -2.040964735e+00 -2.040964735e+00 4.86 -2.015349732e+00 -2.015349732e+00 4.88 -1.996708593e+00 -1.996708593e+00 4.90 -1.981559892e+00 -1.981559892e+00 4.92 -1.965705982e+00 -1.965705982e+00 4.94 -1.947646145e+00 -1.947646145e+00 4.96 -1.927891205e+00 -1.927891205e+00 4.98 -1.908688447e+00 -1.908688447e+00 5.00 -1.892912146e+00 -1.892912146e+00 5.02 -1.884395030e+00 -1.884395030e+00 5.04 -1.887070774e+00 -1.887070774e+00 5.06 -1.897522172e+00 -1.897522172e+00 5.08 -1.909824290e+00 -1.909824290e+00 5.10 -1.917767245e+00 -1.917767245e+00 5.12 -1.915825266e+00 -1.915825266e+00 5.14 -1.899470408e+00 -1.899470408e+00 5.16 -1.865934310e+00 -1.865934310e+00 5.18 -1.818087825e+00 -1.818087825e+00 5.20 -1.760361809e+00 -1.760361809e+00 5.22 -1.698772531e+00 -1.698772531e+00 5.24 -1.639869244e+00 -1.639869244e+00 5.26 -1.589023684e+00 -1.589023684e+00 5.28 -1.548019539e+00 -1.548019539e+00 5.30 -1.514889032e+00 -1.514889032e+00 5.32 -1.487917162e+00 -1.487917162e+00 5.34 -1.465770855e+00 -1.465770855e+00 5.36 -1.447102161e+00 -1.447102161e+00 5.38 -1.429425883e+00 -1.429425883e+00 5.40 -1.407405168e+00 -1.407405168e+00 5.42 -1.380408916e+00 -1.380408916e+00 5.44 -1.349351138e+00 -1.349351138e+00 5.46 -1.315368609e+00 -1.315368609e+00 5.48 -1.279669182e+00 -1.279669182e+00 5.50 -1.243487901e+00 -1.243487901e+00 5.52 -1.208072019e+00 -1.208072019e+00 5.54 -1.174602205e+00 -1.174602205e+00 5.56 -1.143198807e+00 -1.143198807e+00 5.58 -1.112930328e+00 -1.112930328e+00 5.60 -1.082805640e+00 -1.082805640e+00 5.62 -1.051898809e+00 -1.051898809e+00 5.64 -1.019373659e+00 -1.019373659e+00 5.66 -9.843852342e-01 -9.843852342e-01 5.68 -9.461622549e-01 -9.461622549e-01 5.70 -9.058079100e-01 -9.058079100e-01 5.72 -8.655303816e-01 -8.655303816e-01 5.74 -8.282110712e-01 -8.282110712e-01 5.76 -7.982152271e-01 -7.982152271e-01 5.78 -7.821838685e-01 -7.821838685e-01 5.80 -7.876908084e-01 -7.876908084e-01 5.82 -8.154279716e-01 -8.154279716e-01 5.84 -8.548389958e-01 -8.548389958e-01 5.86 -8.966430017e-01 -8.966430017e-01 5.88 -9.346839395e-01 -9.346839395e-01 5.90 -9.643982867e-01 -9.643982867e-01 5.92 -9.817226798e-01 -9.817226798e-01 5.94 -9.824660952e-01 -9.824660952e-01 5.96 -9.649761175e-01 -9.649761175e-01 5.98 -9.305801813e-01 -9.305801813e-01 6.00 -8.798819225e-01 -8.798819225e-01