# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Cu # implementation = 2025--Sharifi-H--Cr-Ni-Cu--LAMMPS--ipr1 # composition = CrCuNi2 # 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 2025-07-01 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 5.237360694e+02 5.237360694e+02 1.00 4.991681932e+02 4.991681932e+02 1.02 4.744483566e+02 4.744483566e+02 1.04 4.495251855e+02 4.495251855e+02 1.06 4.244689521e+02 4.244689521e+02 1.08 3.994204180e+02 3.994204180e+02 1.10 3.745545609e+02 3.745545609e+02 1.12 3.500555895e+02 3.500555895e+02 1.14 3.261003837e+02 3.261003837e+02 1.16 3.028479469e+02 3.028479469e+02 1.18 2.805781312e+02 2.805781312e+02 1.20 2.594845936e+02 2.594845936e+02 1.22 2.395233450e+02 2.395233450e+02 1.24 2.206638762e+02 2.206638762e+02 1.26 2.028830566e+02 2.028830566e+02 1.28 1.861602370e+02 1.861602370e+02 1.30 1.704740958e+02 1.704740958e+02 1.32 1.558007658e+02 1.558007658e+02 1.34 1.421128839e+02 1.421128839e+02 1.36 1.293792863e+02 1.293792863e+02 1.38 1.175651434e+02 1.175651434e+02 1.40 1.066323731e+02 1.066323731e+02 1.42 9.654021711e+01 9.654021711e+01 1.44 8.724589545e+01 8.724589545e+01 1.46 7.870527838e+01 7.870527838e+01 1.48 7.087353578e+01 7.087353578e+01 1.50 6.370573626e+01 6.370573626e+01 1.52 5.715738030e+01 5.715738030e+01 1.54 5.118485962e+01 5.118485962e+01 1.56 4.574584049e+01 4.574584049e+01 1.58 4.079957153e+01 4.079957153e+01 1.60 3.630712074e+01 3.630712074e+01 1.62 3.223154874e+01 3.223154874e+01 1.64 2.853802463e+01 2.853802463e+01 1.66 2.519389150e+01 2.519389150e+01 1.68 2.216868951e+01 2.216868951e+01 1.70 1.943414295e+01 1.943414295e+01 1.72 1.696411791e+01 1.696411791e+01 1.74 1.473455711e+01 1.473455711e+01 1.76 1.272339588e+01 1.272339588e+01 1.78 1.091046388e+01 1.091046388e+01 1.80 9.277379301e+00 9.277379301e+00 1.82 7.807432774e+00 7.807432774e+00 1.84 6.485412488e+00 6.485412488e+00 1.86 5.297432360e+00 5.297432360e+00 1.88 4.230832638e+00 4.230832638e+00 1.90 3.274092478e+00 3.274092478e+00 1.92 2.416746313e+00 2.416746313e+00 1.94 1.649304161e+00 1.649304161e+00 1.96 9.631761570e-01 9.631761570e-01 1.98 3.506006306e-01 3.506006306e-01 2.00 -1.954371747e-01 -1.954371747e-01 2.02 -6.813018601e-01 -6.813018601e-01 2.04 -1.112774267e+00 -1.112774267e+00 2.06 -1.495103563e+00 -1.495103563e+00 2.08 -1.833054699e+00 -1.833054699e+00 2.10 -2.130951770e+00 -2.130951770e+00 2.12 -2.392717480e+00 -2.392717480e+00 2.14 -2.621909189e+00 -2.621909189e+00 2.16 -2.821751810e+00 -2.821751810e+00 2.18 -2.995167818e+00 -2.995167818e+00 2.20 -3.144804686e+00 -3.144804686e+00 2.22 -3.273059673e+00 -3.273059673e+00 2.24 -3.382102523e+00 -3.382102523e+00 2.26 -3.473896232e+00 -3.473896232e+00 2.28 -3.550215764e+00 -3.550215764e+00 2.30 -3.612595068e+00 -3.612595068e+00 2.32 -3.662259943e+00 -3.662259943e+00 2.34 -3.700316376e+00 -3.700316376e+00 2.36 -3.727787079e+00 -3.727787079e+00 2.38 -3.745623385e+00 -3.745623385e+00 2.40 -3.754898197e+00 -3.754898197e+00 2.42 -3.756802549e+00 -3.756802549e+00 2.44 -3.752389723e+00 -3.752389723e+00 2.46 -3.742576173e+00 -3.742576173e+00 2.48 -3.728157650e+00 -3.728157650e+00 2.50 -3.709823570e+00 -3.709823570e+00 2.52 -3.688169842e+00 -3.688169842e+00 2.54 -3.663710303e+00 -3.663710303e+00 2.56 -3.636886881e+00 -3.636886881e+00 2.58 -3.608078636e+00 -3.608078636e+00 2.60 -3.577609795e+00 -3.577609795e+00 2.62 -3.545756861e+00 -3.545756861e+00 2.64 -3.512754923e+00 -3.512754923e+00 2.66 -3.478803231e+00 -3.478803231e+00 2.68 -3.444070113e+00 -3.444070113e+00 2.70 -3.408697317e+00 -3.408697317e+00 2.72 -3.372803823e+00 -3.372803823e+00 2.74 -3.336489196e+00 -3.336489196e+00 2.76 -3.299836517e+00 -3.299836517e+00 2.78 -3.262914950e+00 -3.262914950e+00 2.80 -3.225781976e+00 -3.225781976e+00 2.82 -3.188485331e+00 -3.188485331e+00 2.84 -3.151064698e+00 -3.151064698e+00 2.86 -3.113553146e+00 -3.113553146e+00 2.88 -3.075978391e+00 -3.075978391e+00 2.90 -3.038363852e+00 -3.038363852e+00 2.92 -3.000729569e+00 -3.000729569e+00 2.94 -2.963092967e+00 -2.963092967e+00 2.96 -2.925469502e+00 -2.925469502e+00 2.98 -2.887873202e+00 -2.887873202e+00 3.00 -2.850317106e+00 -2.850317106e+00 3.02 -2.812813629e+00 -2.812813629e+00 3.04 -2.775374850e+00 -2.775374850e+00 3.06 -2.738012739e+00 -2.738012739e+00 3.08 -2.700739328e+00 -2.700739328e+00 3.10 -2.663566840e+00 -2.663566840e+00 3.12 -2.626507776e+00 -2.626507776e+00 3.14 -2.589574964e+00 -2.589574964e+00 3.16 -2.552781584e+00 -2.552781584e+00 3.18 -2.516141162e+00 -2.516141162e+00 3.20 -2.479667551e+00 -2.479667551e+00 3.22 -2.443374884e+00 -2.443374884e+00 3.24 -2.407277520e+00 -2.407277520e+00 3.26 -2.371389969e+00 -2.371389969e+00 3.28 -2.335726815e+00 -2.335726815e+00 3.30 -2.300302622e+00 -2.300302622e+00 3.32 -2.265131831e+00 -2.265131831e+00 3.34 -2.230228659e+00 -2.230228659e+00 3.36 -2.195606981e+00 -2.195606981e+00 3.38 -2.161280213e+00 -2.161280213e+00 3.40 -2.127261187e+00 -2.127261187e+00 3.42 -2.093562020e+00 -2.093562020e+00 3.44 -2.060193986e+00 -2.060193986e+00 3.46 -2.027167373e+00 -2.027167373e+00 3.48 -1.994491348e+00 -1.994491348e+00 3.50 -1.962173817e+00 -1.962173817e+00 3.52 -1.930221277e+00 -1.930221277e+00 3.54 -1.898638682e+00 -1.898638682e+00 3.56 -1.867429300e+00 -1.867429300e+00 3.58 -1.836594587e+00 -1.836594587e+00 3.60 -1.806134061e+00 -1.806134061e+00 3.62 -1.776045199e+00 -1.776045199e+00 3.64 -1.746323347e+00 -1.746323347e+00 3.66 -1.716961658e+00 -1.716961658e+00 3.68 -1.687951066e+00 -1.687951066e+00 3.70 -1.659280295e+00 -1.659280295e+00 3.72 -1.630935923e+00 -1.630935923e+00 3.74 -1.602902496e+00 -1.602902496e+00 3.76 -1.575162714e+00 -1.575162714e+00 3.78 -1.547697682e+00 -1.547697682e+00 3.80 -1.520487240e+00 -1.520487240e+00 3.82 -1.493510366e+00 -1.493510366e+00 3.84 -1.466745657e+00 -1.466745657e+00 3.86 -1.440171873e+00 -1.440171873e+00 3.88 -1.413768531e+00 -1.413768531e+00 3.90 -1.387516540e+00 -1.387516540e+00 3.92 -1.361398835e+00 -1.361398835e+00 3.94 -1.335401001e+00 -1.335401001e+00 3.96 -1.309511838e+00 -1.309511838e+00 3.98 -1.283723839e+00 -1.283723839e+00 4.00 -1.258033551e+00 -1.258033551e+00 4.02 -1.232441797e+00 -1.232441797e+00 4.04 -1.206953723e+00 -1.206953723e+00 4.06 -1.181578685e+00 -1.181578685e+00 4.08 -1.156329955e+00 -1.156329955e+00 4.10 -1.131224275e+00 -1.131224275e+00 4.12 -1.106281281e+00 -1.106281281e+00 4.14 -1.081522826e+00 -1.081522826e+00 4.16 -1.056972247e+00 -1.056972247e+00 4.18 -1.032653614e+00 -1.032653614e+00 4.20 -1.008591003e+00 -1.008591003e+00 4.22 -9.848078269e-01 -9.848078269e-01 4.24 -9.613262572e-01 -9.613262572e-01 4.26 -9.381589792e-01 -9.381589792e-01 4.28 -9.151684038e-01 -9.151684038e-01 4.30 -8.919574267e-01 -8.919574267e-01 4.32 -8.684687569e-01 -8.684687569e-01 4.34 -8.464121583e-01 -8.464121583e-01 4.36 -8.251680339e-01 -8.251680339e-01 4.38 -8.043203040e-01 -8.043203040e-01 4.40 -7.838732452e-01 -7.838732452e-01 4.42 -7.638293539e-01 -7.638293539e-01 4.44 -7.441895792e-01 -7.441895792e-01 4.46 -7.249535519e-01 -7.249535519e-01 4.48 -7.061198017e-01 -7.061198017e-01 4.50 -6.876859540e-01 -6.876859540e-01 4.52 -6.696489029e-01 -6.696489029e-01 4.54 -6.520049588e-01 -6.520049588e-01 4.56 -6.347499708e-01 -6.347499708e-01 4.58 -6.178794259e-01 -6.178794259e-01 4.60 -6.013885275e-01 -6.013885275e-01 4.62 -5.852722571e-01 -5.852722571e-01 4.64 -5.695254217e-01 -5.695254217e-01 4.66 -5.541426899e-01 -5.541426899e-01 4.68 -5.391186201e-01 -5.391186201e-01 4.70 -5.244476824e-01 -5.244476824e-01 4.72 -5.101242758e-01 -5.101242758e-01 4.74 -4.961427427e-01 -4.961427427e-01 4.76 -4.824973810e-01 -4.824973810e-01 4.78 -4.691824545e-01 -4.691824545e-01 4.80 -4.561922023e-01 -4.561922023e-01 4.82 -4.435208477e-01 -4.435208477e-01 4.84 -4.311626058e-01 -4.311626058e-01 4.86 -4.191116909e-01 -4.191116909e-01 4.88 -4.073623239e-01 -4.073623239e-01 4.90 -3.959087381e-01 -3.959087381e-01 4.92 -3.837070894e-01 -3.837070894e-01 4.94 -3.578405381e-01 -3.578405381e-01 4.96 -2.870918413e-01 -2.870918413e-01 4.98 -1.431389441e-01 -1.431389441e-01 5.00 -5.340091913e-23 -5.345206279e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 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