# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Fe # implementation = 2025--Sharifi-H--Cr-Co-Fe--LAMMPS--ipr1 # composition = Co2CrFe # 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 4.696299118e+02 4.696299118e+02 1.00 4.283915469e+02 4.283915469e+02 1.02 3.888954840e+02 3.888954840e+02 1.04 3.516551856e+02 3.516551856e+02 1.06 3.169653159e+02 3.169653159e+02 1.08 2.849600476e+02 2.849600476e+02 1.10 2.556586151e+02 2.556586151e+02 1.12 2.290000529e+02 2.290000529e+02 1.14 2.048695025e+02 2.048695025e+02 1.16 1.831179604e+02 1.831179604e+02 1.18 1.635768951e+02 1.635768951e+02 1.20 1.460689568e+02 1.460689568e+02 1.22 1.304156674e+02 1.304156674e+02 1.24 1.164427890e+02 1.164427890e+02 1.26 1.039839308e+02 1.039839308e+02 1.28 9.288282984e+01 9.288282984e+01 1.30 8.299464802e+01 8.299464802e+01 1.32 7.418654800e+01 7.418654800e+01 1.34 6.633775147e+01 6.633775147e+01 1.36 5.933923810e+01 5.933923810e+01 1.38 5.309320017e+01 5.309320017e+01 1.40 4.751234598e+01 4.751234598e+01 1.42 4.251911694e+01 4.251911694e+01 1.44 3.804486593e+01 3.804486593e+01 1.46 3.402903474e+01 3.402903474e+01 1.48 3.041835260e+01 3.041835260e+01 1.50 2.716607273e+01 2.716607273e+01 1.52 2.423125856e+01 2.423125856e+01 1.54 2.157812314e+01 2.157812314e+01 1.56 1.917542553e+01 1.917542553e+01 1.58 1.699592429e+01 1.699592429e+01 1.60 1.501588541e+01 1.501588541e+01 1.62 1.321462913e+01 1.321462913e+01 1.64 1.157403591e+01 1.157403591e+01 1.66 1.007813795e+01 1.007813795e+01 1.68 8.712813316e+00 8.712813316e+00 1.70 7.465583834e+00 7.465583834e+00 1.72 6.325428761e+00 6.325428761e+00 1.74 5.282604993e+00 5.282604993e+00 1.76 4.328488981e+00 4.328488981e+00 1.78 3.455412816e+00 3.455412816e+00 1.80 2.656498847e+00 2.656498847e+00 1.82 1.925561313e+00 1.925561313e+00 1.84 1.257031794e+00 1.257031794e+00 1.86 6.458935953e-01 6.458935953e-01 1.88 8.762383512e-02 8.762383512e-02 1.90 -4.218576334e-01 -4.218576334e-01 1.92 -8.862334910e-01 -8.862334910e-01 1.94 -1.308829143e+00 -1.308829143e+00 1.96 -1.692649046e+00 -1.692649046e+00 1.98 -2.040430936e+00 -2.040430936e+00 2.00 -2.354718136e+00 -2.354718136e+00 2.02 -2.637935586e+00 -2.637935586e+00 2.04 -2.892549584e+00 -2.892549584e+00 2.06 -3.120876484e+00 -3.120876484e+00 2.08 -3.325033074e+00 -3.325033074e+00 2.10 -3.506955330e+00 -3.506955330e+00 2.12 -3.668415256e+00 -3.668415256e+00 2.14 -3.811036094e+00 -3.811036094e+00 2.16 -3.936306057e+00 -3.936306057e+00 2.18 -4.045590558e+00 -4.045590558e+00 2.20 -4.140142285e+00 -4.140142285e+00 2.22 -4.221112260e+00 -4.221112260e+00 2.24 -4.289559693e+00 -4.289559693e+00 2.26 -4.346460178e+00 -4.346460178e+00 2.28 -4.392713096e+00 -4.392713096e+00 2.30 -4.429148298e+00 -4.429148298e+00 2.32 -4.456532161e+00 -4.456532161e+00 2.34 -4.475573057e+00 -4.475573057e+00 2.36 -4.486926310e+00 -4.486926310e+00 2.38 -4.491198677e+00 -4.491198677e+00 2.40 -4.488952412e+00 -4.488952412e+00 2.42 -4.480708944e+00 -4.480708944e+00 2.44 -4.466952346e+00 -4.466952346e+00 2.46 -4.448141571e+00 -4.448141571e+00 2.48 -4.424717174e+00 -4.424717174e+00 2.50 -4.397087381e+00 -4.397087381e+00 2.52 -4.365629261e+00 -4.365629261e+00 2.54 -4.330691318e+00 -4.330691318e+00 2.56 -4.292595845e+00 -4.292595845e+00 2.58 -4.251641065e+00 -4.251641065e+00 2.60 -4.208103070e+00 -4.208103070e+00 2.62 -4.162237589e+00 -4.162237589e+00 2.64 -4.114281589e+00 -4.114281589e+00 2.66 -4.064454735e+00 -4.064454735e+00 2.68 -4.012960723e+00 -4.012960723e+00 2.70 -3.959988482e+00 -3.959988482e+00 2.72 -3.905713283e+00 -3.905713283e+00 2.74 -3.850297742e+00 -3.850297742e+00 2.76 -3.793892733e+00 -3.793892733e+00 2.78 -3.736638234e+00 -3.736638234e+00 2.80 -3.678664086e+00 -3.678664086e+00 2.82 -3.620090695e+00 -3.620090695e+00 2.84 -3.561029674e+00 -3.561029674e+00 2.86 -3.501584433e+00 -3.501584433e+00 2.88 -3.441850717e+00 -3.441850717e+00 2.90 -3.381917102e+00 -3.381917102e+00 2.92 -3.321865452e+00 -3.321865452e+00 2.94 -3.261771341e+00 -3.261771341e+00 2.96 -3.201704442e+00 -3.201704442e+00 2.98 -3.141728879e+00 -3.141728879e+00 3.00 -3.081903567e+00 -3.081903567e+00 3.02 -3.022282508e+00 -3.022282508e+00 3.04 -2.962915082e+00 -2.962915082e+00 3.06 -2.903846306e+00 -2.903846306e+00 3.08 -2.845117077e+00 -2.845117077e+00 3.10 -2.786764399e+00 -2.786764399e+00 3.12 -2.728821590e+00 -2.728821590e+00 3.14 -2.671318480e+00 -2.671318480e+00 3.16 -2.614281591e+00 -2.614281591e+00 3.18 -2.557734306e+00 -2.557734306e+00 3.20 -2.501697029e+00 -2.501697029e+00 3.22 -2.446187327e+00 -2.446187327e+00 3.24 -2.391220075e+00 -2.391220075e+00 3.26 -2.336807583e+00 -2.336807583e+00 3.28 -2.282959718e+00 -2.282959718e+00 3.30 -2.229684020e+00 -2.229684020e+00 3.32 -2.176985814e+00 -2.176985814e+00 3.34 -2.124868312e+00 -2.124868312e+00 3.36 -2.073332718e+00 -2.073332718e+00 3.38 -2.022378325e+00 -2.022378325e+00 3.40 -1.972002613e+00 -1.972002613e+00 3.42 -1.922201345e+00 -1.922201345e+00 3.44 -1.872968667e+00 -1.872968667e+00 3.46 -1.824297207e+00 -1.824297207e+00 3.48 -1.776178179e+00 -1.776178179e+00 3.50 -1.728601494e+00 -1.728601494e+00 3.52 -1.681555884e+00 -1.681555884e+00 3.54 -1.635029023e+00 -1.635029023e+00 3.56 -1.589007680e+00 -1.589007680e+00 3.58 -1.543477868e+00 -1.543477868e+00 3.60 -1.498425030e+00 -1.498425030e+00 3.62 -1.453834233e+00 -1.453834233e+00 3.64 -1.409690395e+00 -1.409690395e+00 3.66 -1.365978538e+00 -1.365978538e+00 3.68 -1.322684070e+00 -1.322684070e+00 3.70 -1.279793106e+00 -1.279793106e+00 3.72 -1.237292817e+00 -1.237292817e+00 3.74 -1.195171823e+00 -1.195171823e+00 3.76 -1.153420615e+00 -1.153420615e+00 3.78 -1.112032020e+00 -1.112032020e+00 3.80 -1.071001682e+00 -1.071001682e+00 3.82 -1.030328578e+00 -1.030328578e+00 3.84 -9.900155375e-01 -9.900155375e-01 3.86 -9.500697631e-01 -9.500697631e-01 3.88 -9.105033258e-01 -9.105033258e-01 3.90 -8.713336213e-01 -8.713336213e-01 3.92 -8.325837544e-01 -8.325837544e-01 3.94 -7.942828252e-01 -7.942828252e-01 3.96 -7.564660853e-01 -7.564660853e-01 3.98 -7.191749312e-01 -7.191749312e-01 4.00 -6.824567060e-01 -6.824567060e-01 4.02 -6.463642817e-01 -6.463642817e-01 4.04 -6.109554046e-01 -6.109554046e-01 4.06 -5.762917931e-01 -5.762917931e-01 4.08 -5.424379934e-01 -5.424379934e-01 4.10 -5.094600102e-01 -5.094600102e-01 4.12 -4.774237489e-01 -4.774237489e-01 4.14 -4.463933187e-01 -4.463933187e-01 4.16 -4.164292624e-01 -4.164292624e-01 4.18 -3.875867898e-01 -3.875867898e-01 4.20 -3.599140958e-01 -3.599140958e-01 4.22 -3.334508471e-01 -3.334508471e-01 4.24 -3.082269163e-01 -3.082269163e-01 4.26 -2.840176052e-01 -2.840176052e-01 4.28 -2.562154670e-01 -2.562154670e-01 4.30 -2.144599439e-01 -2.144599439e-01 4.32 -1.622840881e-01 -1.622840881e-01 4.34 -1.392788910e-01 -1.392788910e-01 4.36 -1.264406545e-01 -1.264406545e-01 4.38 -1.143289167e-01 -1.143289167e-01 4.40 -1.028897896e-01 -1.028897896e-01 4.42 -9.207168744e-02 -9.207168744e-02 4.44 -8.182592137e-02 -8.182592137e-02 4.46 -7.210713280e-02 -7.210713280e-02 4.48 -6.287357282e-02 -6.287357282e-02 4.50 -5.408723990e-02 -5.408723990e-02 4.52 -4.571389239e-02 -4.571389239e-02 4.54 -3.772295524e-02 -3.772295524e-02 4.56 -3.008734170e-02 -3.008734170e-02 4.58 -2.278321092e-02 -2.278321092e-02 4.60 -1.578968179e-02 -1.578968179e-02 4.62 -9.088521486e-03 -9.088521486e-03 4.64 -2.663825057e-03 -2.663825057e-03 4.66 3.498300264e-03 3.498300264e-03 4.68 9.410035341e-03 9.410035341e-03 4.70 1.508212610e-02 1.508212610e-02 4.72 2.052413201e-02 2.052413201e-02 4.74 2.574464351e-02 2.574464351e-02 4.76 3.075146762e-02 3.075146762e-02 4.78 3.555178281e-02 3.555178281e-02 4.80 4.015226547e-02 4.015226547e-02 4.82 4.455919079e-02 4.455919079e-02 4.84 4.877851167e-02 4.877851167e-02 4.86 5.281591909e-02 5.281591909e-02 4.88 5.667688742e-02 5.667688742e-02 4.90 6.036670772e-02 6.036670772e-02 4.92 6.362792229e-02 6.362792229e-02 4.94 6.297908374e-02 6.297908374e-02 4.96 4.974536226e-02 4.974536226e-02 4.98 1.944907378e-02 1.944907378e-02 5.00 -1.609987927e-22 -1.619165540e-22 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