# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr # implementation = 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2 # composition = CrFeNi2 # 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 3.343510671e+02 3.343510671e+02 1.02 3.070202433e+02 3.070202433e+02 1.04 2.820831517e+02 2.820831517e+02 1.06 2.593233297e+02 2.593233297e+02 1.08 2.384885507e+02 2.384885507e+02 1.10 2.193589688e+02 2.193589688e+02 1.12 2.017775534e+02 2.017775534e+02 1.14 1.856155686e+02 1.856155686e+02 1.16 1.707527925e+02 1.707527925e+02 1.18 1.570801115e+02 1.570801115e+02 1.20 1.445009922e+02 1.445009922e+02 1.22 1.329277528e+02 1.329277528e+02 1.24 1.222792760e+02 1.222792760e+02 1.26 1.124813618e+02 1.124813618e+02 1.28 1.034633490e+02 1.034633490e+02 1.30 9.515231765e+01 9.515231765e+01 1.32 8.747516402e+01 8.747516402e+01 1.34 8.036759373e+01 8.036759373e+01 1.36 7.377861135e+01 7.377861135e+01 1.38 6.766832617e+01 6.766832617e+01 1.40 6.200444899e+01 6.200444899e+01 1.42 5.675950424e+01 5.675950424e+01 1.44 5.190823769e+01 5.190823769e+01 1.46 4.742548812e+01 4.742548812e+01 1.48 4.328523574e+01 4.328523574e+01 1.50 3.946099872e+01 3.946099872e+01 1.52 3.592708638e+01 3.592708638e+01 1.54 3.265992627e+01 3.265992627e+01 1.56 2.963885440e+01 2.963885440e+01 1.58 2.684619566e+01 2.684619566e+01 1.60 2.426687119e+01 2.426687119e+01 1.62 2.188778921e+01 2.188778921e+01 1.64 1.969653648e+01 1.969653648e+01 1.66 1.768060479e+01 1.768060479e+01 1.68 1.582654154e+01 1.582654154e+01 1.70 1.411958770e+01 1.411958770e+01 1.72 1.254441352e+01 1.254441352e+01 1.74 1.108706420e+01 1.108706420e+01 1.76 9.737030098e+00 9.737030098e+00 1.78 8.487627322e+00 8.487627322e+00 1.80 7.333806797e+00 7.333806797e+00 1.82 6.269121631e+00 6.269121631e+00 1.84 5.284665263e+00 5.284665263e+00 1.86 4.370951250e+00 4.370951250e+00 1.88 3.520665156e+00 3.520665156e+00 1.90 2.729768469e+00 2.729768469e+00 1.92 1.996445757e+00 1.996445757e+00 1.94 1.319493386e+00 1.319493386e+00 1.96 6.973139849e-01 6.973139849e-01 1.98 1.277025244e-01 1.277025244e-01 2.00 -3.919686072e-01 -3.919686072e-01 2.02 -8.645063051e-01 -8.645063051e-01 2.04 -1.292729296e+00 -1.292729296e+00 2.06 -1.679379540e+00 -1.679379540e+00 2.08 -2.027094410e+00 -2.027094410e+00 2.10 -2.338406840e+00 -2.338406840e+00 2.12 -2.615768984e+00 -2.615768984e+00 2.14 -2.861576887e+00 -2.861576887e+00 2.16 -3.078189705e+00 -3.078189705e+00 2.18 -3.267947533e+00 -3.267947533e+00 2.20 -3.433180374e+00 -3.433180374e+00 2.22 -3.576209074e+00 -3.576209074e+00 2.24 -3.699337943e+00 -3.699337943e+00 2.26 -3.804826345e+00 -3.804826345e+00 2.28 -3.894856335e+00 -3.894856335e+00 2.30 -3.971487112e+00 -3.971487112e+00 2.32 -4.036610947e+00 -4.036610947e+00 2.34 -4.091915224e+00 -4.091915224e+00 2.36 -4.138856526e+00 -4.138856526e+00 2.38 -4.178649109e+00 -4.178649109e+00 2.40 -4.212265339e+00 -4.212265339e+00 2.42 -4.240449032e+00 -4.240449032e+00 2.44 -4.263735831e+00 -4.263735831e+00 2.46 -4.282479147e+00 -4.282479147e+00 2.48 -4.296879231e+00 -4.296879231e+00 2.50 -4.307015149e+00 -4.307015149e+00 2.52 -4.312878537e+00 -4.312878537e+00 2.54 -4.314420085e+00 -4.314420085e+00 2.56 -4.311669223e+00 -4.311669223e+00 2.58 -4.304696122e+00 -4.304696122e+00 2.60 -4.293582414e+00 -4.293582414e+00 2.62 -4.278454186e+00 -4.278454186e+00 2.64 -4.259489973e+00 -4.259489973e+00 2.66 -4.236815111e+00 -4.236815111e+00 2.68 -4.210571574e+00 -4.210571574e+00 2.70 -4.180988925e+00 -4.180988925e+00 2.72 -4.148358181e+00 -4.148358181e+00 2.74 -4.113005045e+00 -4.113005045e+00 2.76 -4.075263827e+00 -4.075263827e+00 2.78 -4.035458324e+00 -4.035458324e+00 2.80 -3.993886084e+00 -3.993886084e+00 2.82 -3.950809088e+00 -3.950809088e+00 2.84 -3.906450735e+00 -3.906450735e+00 2.86 -3.860999036e+00 -3.860999036e+00 2.88 -3.814614359e+00 -3.814614359e+00 2.90 -3.767440526e+00 -3.767440526e+00 2.92 -3.719615450e+00 -3.719615450e+00 2.94 -3.671282272e+00 -3.671282272e+00 2.96 -3.622589290e+00 -3.622589290e+00 2.98 -3.573692009e+00 -3.573692009e+00 3.00 -3.524745486e+00 -3.524745486e+00 3.02 -3.475894699e+00 -3.475894699e+00 3.04 -3.427264593e+00 -3.427264593e+00 3.06 -3.378952145e+00 -3.378952145e+00 3.08 -3.331022906e+00 -3.331022906e+00 3.10 -3.283512476e+00 -3.283512476e+00 3.12 -3.236432268e+00 -3.236432268e+00 3.14 -3.189777983e+00 -3.189777983e+00 3.16 -3.143538677e+00 -3.143538677e+00 3.18 -3.097705368e+00 -3.097705368e+00 3.20 -3.052275569e+00 -3.052275569e+00 3.22 -3.007250609e+00 -3.007250609e+00 3.24 -2.962637543e+00 -2.962637543e+00 3.26 -2.918450107e+00 -2.918450107e+00 3.28 -2.874707901e+00 -2.874707901e+00 3.30 -2.831434568e+00 -2.831434568e+00 3.32 -2.788655513e+00 -2.788655513e+00 3.34 -2.746392782e+00 -2.746392782e+00 3.36 -2.704556836e+00 -2.704556836e+00 3.38 -2.662933548e+00 -2.662933548e+00 3.40 -2.621342949e+00 -2.621342949e+00 3.42 -2.579642773e+00 -2.579642773e+00 3.44 -2.537721830e+00 -2.537721830e+00 3.46 -2.495494678e+00 -2.495494678e+00 3.48 -2.452896586e+00 -2.452896586e+00 3.50 -2.409880045e+00 -2.409880045e+00 3.52 -2.366412041e+00 -2.366412041e+00 3.54 -2.322471079e+00 -2.322471079e+00 3.56 -2.278046074e+00 -2.278046074e+00 3.58 -2.233135090e+00 -2.233135090e+00 3.60 -2.187744721e+00 -2.187744721e+00 3.62 -2.141889931e+00 -2.141889931e+00 3.64 -2.095594136e+00 -2.095594136e+00 3.66 -2.048889494e+00 -2.048889494e+00 3.68 -2.001817292e+00 -2.001817292e+00 3.70 -1.954428240e+00 -1.954428240e+00 3.72 -1.906782612e+00 -1.906782612e+00 3.74 -1.858950125e+00 -1.858950125e+00 3.76 -1.811009431e+00 -1.811009431e+00 3.78 -1.763047202e+00 -1.763047202e+00 3.80 -1.715156797e+00 -1.715156797e+00 3.82 -1.667436455e+00 -1.667436455e+00 3.84 -1.619987151e+00 -1.619987151e+00 3.86 -1.572910118e+00 -1.572910118e+00 3.88 -1.526304246e+00 -1.526304246e+00 3.90 -1.480263390e+00 -1.480263390e+00 3.92 -1.434873873e+00 -1.434873873e+00 3.94 -1.390212210e+00 -1.390212210e+00 3.96 -1.346343342e+00 -1.346343342e+00 3.98 -1.303319347e+00 -1.303319347e+00 4.00 -1.261178888e+00 -1.261178888e+00 4.02 -1.219947259e+00 -1.219947259e+00 4.04 -1.179637144e+00 -1.179637144e+00 4.06 -1.140249974e+00 -1.140249974e+00 4.08 -1.101777734e+00 -1.101777734e+00 4.10 -1.064205156e+00 -1.064205156e+00 4.12 -1.027511995e+00 -1.027511995e+00 4.14 -9.916753481e-01 -9.916753481e-01 4.16 -9.566717299e-01 -9.566717299e-01 4.18 -9.224788512e-01 -9.224788512e-01 4.20 -8.890769514e-01 -8.890769514e-01 4.22 -8.564496401e-01 -8.564496401e-01 4.24 -8.245842728e-01 -8.245842728e-01 4.26 -7.934718748e-01 -7.934718748e-01 4.28 -7.631066723e-01 -7.631066723e-01 4.30 -7.334853692e-01 -7.334853692e-01 4.32 -7.046062232e-01 -7.046062232e-01 4.34 -6.764680264e-01 -6.764680264e-01 4.36 -6.490690851e-01 -6.490690851e-01 4.38 -6.224062354e-01 -6.224062354e-01 4.40 -5.964739407e-01 -5.964739407e-01 4.42 -5.712635073e-01 -5.712635073e-01 4.44 -5.467624073e-01 -5.467624073e-01 4.46 -5.229537547e-01 -5.229537547e-01 4.48 -4.998159315e-01 -4.998159315e-01 4.50 -4.773224049e-01 -4.773224049e-01 4.52 -4.554417586e-01 -4.554417586e-01 4.54 -4.341380037e-01 -4.341380037e-01 4.56 -4.133711942e-01 -4.133711942e-01 4.58 -3.930983863e-01 -3.930983863e-01 4.60 -3.732748408e-01 -3.732748408e-01 4.62 -3.538562284e-01 -3.538562284e-01 4.64 -3.347997216e-01 -3.347997216e-01 4.66 -3.160669012e-01 -3.160669012e-01 4.68 -2.976258410e-01 -2.976258410e-01 4.70 -2.794531307e-01 -2.794531307e-01 4.72 -2.615365072e-01 -2.615365072e-01 4.74 -2.438774283e-01 -2.438774283e-01 4.76 -2.264897878e-01 -2.264897878e-01 4.78 -2.094021258e-01 -2.094021258e-01 4.80 -1.926567433e-01 -1.926567433e-01 4.82 -1.763084584e-01 -1.763084584e-01 4.84 -1.604224826e-01 -1.604224826e-01 4.86 -1.450715156e-01 -1.450715156e-01 4.88 -1.303322408e-01 -1.303322408e-01 4.90 -1.162813821e-01 -1.162813821e-01 4.92 -1.029916871e-01 -1.029916871e-01 4.94 -9.052804247e-02 -9.052804247e-02 4.96 -7.894397733e-02 -7.894397733e-02 4.98 -6.827914190e-02 -6.827914190e-02 5.00 -5.855704011e-02 -5.855704011e-02 5.02 -4.978432581e-02 -4.978432581e-02 5.04 -4.195068860e-02 -4.195068860e-02 5.06 -3.502993070e-02 -3.502993070e-02 5.08 -2.897795507e-02 -2.897795507e-02 5.10 -2.373801772e-02 -2.373801772e-02 5.12 -1.925681471e-02 -1.925681471e-02 5.14 -1.547040764e-02 -1.547040764e-02 5.16 -1.230832666e-02 -1.230832666e-02 5.18 -9.697721526e-03 -9.697721526e-03 5.20 -7.566593573e-03 -7.566593573e-03 5.22 -5.846188658e-03 -5.846188658e-03 5.24 -4.472657302e-03 -4.472657302e-03 5.26 -3.388096924e-03 -3.388096924e-03 5.28 -2.541089189e-03 -2.541089189e-03 5.30 -1.886837617e-03 -1.886837617e-03 5.32 -1.387001668e-03 -1.387001668e-03 5.34 -1.009312102e-03 -1.009312102e-03 5.36 -7.270415141e-04 -7.270415141e-04 5.38 -5.183920746e-04 -5.183920746e-04 5.40 -3.658508128e-04 -3.658508128e-04 5.42 -2.555513594e-04 -2.555513594e-04 5.44 -1.766152860e-04 -1.766152860e-04 5.46 -1.208422744e-04 -1.208422744e-04 5.48 -8.182545974e-05 -8.182545974e-05 5.50 -5.483033537e-05 -5.483033537e-05 5.52 -3.635817500e-05 -3.635817500e-05 5.54 -2.385715692e-05 -2.385715692e-05 5.56 -1.549025123e-05 -1.549025123e-05 5.58 -9.728725317e-06 -9.728725317e-06 5.60 -6.186840876e-06 -6.186840876e-06 5.62 -3.813948333e-06 -3.813948333e-06 5.64 -2.374651292e-06 -2.374651292e-06 5.66 -1.462241030e-06 -1.462241030e-06 5.68 -8.904757849e-07 -8.904757849e-07 5.70 -5.362901308e-07 -5.362901308e-07 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