# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuFe2W # 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 2024-04-11 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.215025723e+02 2.215025723e+02 1.30 2.024738565e+02 2.024738565e+02 1.32 1.850404476e+02 1.850404476e+02 1.34 1.690522073e+02 1.690522073e+02 1.36 1.543734154e+02 1.543734154e+02 1.38 1.408836333e+02 1.408836333e+02 1.40 1.284776722e+02 1.284776722e+02 1.42 1.170646299e+02 1.170646299e+02 1.44 1.065659616e+02 1.065659616e+02 1.46 9.691287463e+01 9.691287463e+01 1.48 8.804368314e+01 8.804368314e+01 1.50 7.990172545e+01 7.990172545e+01 1.52 7.243407862e+01 7.243407862e+01 1.54 6.559089024e+01 6.559089024e+01 1.56 5.932504622e+01 5.932504622e+01 1.58 5.359206743e+01 5.359206743e+01 1.60 4.835019510e+01 4.835019510e+01 1.62 4.356049386e+01 4.356049386e+01 1.64 3.918674809e+01 3.918674809e+01 1.66 3.519508942e+01 3.519508942e+01 1.68 3.155386159e+01 3.155386159e+01 1.70 2.823315905e+01 2.823315905e+01 1.72 2.520370249e+01 2.520370249e+01 1.74 2.243757398e+01 2.243757398e+01 1.76 1.990859792e+01 1.990859792e+01 1.78 1.759327260e+01 1.759327260e+01 1.80 1.547087540e+01 1.547087540e+01 1.82 1.352351796e+01 1.352351796e+01 1.84 1.173600284e+01 1.173600284e+01 1.86 1.009550661e+01 1.009550661e+01 1.88 8.591157362e+00 8.591157362e+00 1.90 7.213563845e+00 7.213563845e+00 1.92 5.954353365e+00 5.954353365e+00 1.94 4.805776348e+00 4.805776348e+00 1.96 3.760420268e+00 3.760420268e+00 1.98 2.811045159e+00 2.811045159e+00 2.00 1.950524800e+00 1.950524800e+00 2.02 1.171863460e+00 1.171863460e+00 2.04 4.682555133e-01 4.682555133e-01 2.06 -1.668413120e-01 -1.668413120e-01 2.08 -7.396398643e-01 -7.396398643e-01 2.10 -1.255973075e+00 -1.255973075e+00 2.12 -1.721256511e+00 -1.721256511e+00 2.14 -2.140458153e+00 -2.140458153e+00 2.16 -2.518074477e+00 -2.518074477e+00 2.18 -2.858118795e+00 -2.858118795e+00 2.20 -3.164019160e+00 -3.164019160e+00 2.22 -3.438916982e+00 -3.438916982e+00 2.24 -3.685749873e+00 -3.685749873e+00 2.26 -3.907049618e+00 -3.907049618e+00 2.28 -4.105026922e+00 -4.105026922e+00 2.30 -4.281643662e+00 -4.281643662e+00 2.32 -4.438424482e+00 -4.438424482e+00 2.34 -4.576444781e+00 -4.576444781e+00 2.36 -4.696814228e+00 -4.696814228e+00 2.38 -4.800650160e+00 -4.800650160e+00 2.40 -4.889026471e+00 -4.889026471e+00 2.42 -4.962951876e+00 -4.962951876e+00 2.44 -5.023369805e+00 -5.023369805e+00 2.46 -5.071169443e+00 -5.071169443e+00 2.48 -5.107198932e+00 -5.107198932e+00 2.50 -5.132275428e+00 -5.132275428e+00 2.52 -5.147190138e+00 -5.147190138e+00 2.54 -5.152708687e+00 -5.152708687e+00 2.56 -5.149568160e+00 -5.149568160e+00 2.58 -5.138472444e+00 -5.138472444e+00 2.60 -5.120087422e+00 -5.120087422e+00 2.62 -5.095037195e+00 -5.095037195e+00 2.64 -5.064044300e+00 -5.064044300e+00 2.66 -5.027766437e+00 -5.027766437e+00 2.68 -4.986317361e+00 -4.986317361e+00 2.70 -4.939816244e+00 -4.939816244e+00 2.72 -4.888394053e+00 -4.888394053e+00 2.74 -4.832174364e+00 -4.832174364e+00 2.76 -4.771284670e+00 -4.771284670e+00 2.78 -4.705891487e+00 -4.705891487e+00 2.80 -4.636192457e+00 -4.636192457e+00 2.82 -4.562372586e+00 -4.562372586e+00 2.84 -4.484608197e+00 -4.484608197e+00 2.86 -4.402919181e+00 -4.402919181e+00 2.88 -4.317145202e+00 -4.317145202e+00 2.90 -4.227230397e+00 -4.227230397e+00 2.92 -4.133245580e+00 -4.133245580e+00 2.94 -4.035378980e+00 -4.035378980e+00 2.96 -3.933920162e+00 -3.933920162e+00 2.98 -3.829238070e+00 -3.829238070e+00 3.00 -3.721754988e+00 -3.721754988e+00 3.02 -3.611918750e+00 -3.611918750e+00 3.04 -3.500175867e+00 -3.500175867e+00 3.06 -3.386948289e+00 -3.386948289e+00 3.08 -3.272616136e+00 -3.272616136e+00 3.10 -3.157508044e+00 -3.157508044e+00 3.12 -3.041899674e+00 -3.041899674e+00 3.14 -2.926019800e+00 -2.926019800e+00 3.16 -2.810062347e+00 -2.810062347e+00 3.18 -2.694201997e+00 -2.694201997e+00 3.20 -2.578610681e+00 -2.578610681e+00 3.22 -2.463472396e+00 -2.463472396e+00 3.24 -2.348994297e+00 -2.348994297e+00 3.26 -2.235412808e+00 -2.235412808e+00 3.28 -2.122994461e+00 -2.122994461e+00 3.30 -2.012032073e+00 -2.012032073e+00 3.32 -1.902837591e+00 -1.902837591e+00 3.34 -1.795733322e+00 -1.795733322e+00 3.36 -1.691043188e+00 -1.691043188e+00 3.38 -1.589085180e+00 -1.589085180e+00 3.40 -1.490165501e+00 -1.490165501e+00 3.42 -1.394574155e+00 -1.394574155e+00 3.44 -1.302581221e+00 -1.302581221e+00 3.46 -1.214432905e+00 -1.214432905e+00 3.48 -1.130346702e+00 -1.130346702e+00 3.50 -1.050505456e+00 -1.050505456e+00 3.52 -9.750507312e-01 -9.750507312e-01 3.54 -9.040763346e-01 -9.040763346e-01 3.56 -8.376230914e-01 -8.376230914e-01 3.58 -7.756758645e-01 -7.756758645e-01 3.60 -7.181635190e-01 -7.181635190e-01 3.62 -6.649620631e-01 -6.649620631e-01 3.64 -6.159007384e-01 -6.159007384e-01 3.66 -5.707704529e-01 -5.707704529e-01 3.68 -5.293337285e-01 -5.293337285e-01 3.70 -4.913352525e-01 -4.913352525e-01 3.72 -4.565121843e-01 -4.565121843e-01 3.74 -4.246034770e-01 -4.246034770e-01 3.76 -3.953574855e-01 -3.953574855e-01 3.78 -3.685384281e-01 -3.685384281e-01 3.80 -3.439298751e-01 -3.439298751e-01 3.82 -3.213363622e-01 -3.213363622e-01 3.84 -3.005832591e-01 -3.005832591e-01 3.86 -2.815150591e-01 -2.815150591e-01 3.88 -2.639925925e-01 -2.639925925e-01 3.90 -2.478897370e-01 -2.478897370e-01 3.92 -2.330901747e-01 -2.330901747e-01 3.94 -2.194846398e-01 -2.194846398e-01 3.96 -2.069689262e-01 -2.069689262e-01 3.98 -1.954427348e-01 -1.954427348e-01 4.00 -1.848092704e-01 -1.848092704e-01 4.02 -1.749753993e-01 -1.749753993e-01 4.04 -1.658521344e-01 -1.658521344e-01 4.06 -1.573550798e-01 -1.573550798e-01 4.08 -1.494051983e-01 -1.494051983e-01 4.10 -1.419295482e-01 -1.419295482e-01 4.12 -1.348610460e-01 -1.348610460e-01 4.14 -1.281386456e-01 -1.281386456e-01 4.16 -1.217073976e-01 -1.217073976e-01 4.18 -1.155184365e-01 -1.155184365e-01 4.20 -1.095289544e-01 -1.095289544e-01 4.22 -1.037022080e-01 -1.037022080e-01 4.24 -9.800758614e-02 -9.800758614e-02 4.26 -9.242074314e-02 -9.242074314e-02 4.28 -8.692378060e-02 -8.692378060e-02 4.30 -8.150543487e-02 -8.150543487e-02 4.32 -7.616120755e-02 -7.616120755e-02 4.34 -7.089335970e-02 -7.089335970e-02 4.36 -6.571068520e-02 -6.571068520e-02 4.38 -6.062798713e-02 -6.062798713e-02 4.40 -5.566520659e-02 -5.566520659e-02 4.42 -5.084619516e-02 -5.084619516e-02 4.44 -4.619717603e-02 -4.619717603e-02 4.46 -4.174499424e-02 -4.174499424e-02 4.48 -3.751530238e-02 -3.751530238e-02 4.50 -3.353085209e-02 -3.353085209e-02 4.52 -2.981005812e-02 -2.981005812e-02 4.54 -2.636595855e-02 -2.636595855e-02 4.56 -2.320565652e-02 -2.320565652e-02 4.58 -2.033024907e-02 -2.033024907e-02 4.60 -1.773518772e-02 -1.773518772e-02 4.62 -1.541070325e-02 -1.541070325e-02 4.64 -1.334275122e-02 -1.334275122e-02 4.66 -1.151536068e-02 -1.151536068e-02 4.68 -9.910365078e-03 -9.910365078e-03 4.70 -8.508340791e-03 -8.508340791e-03 4.72 -7.289482528e-03 -7.289482528e-03 4.74 -6.234297917e-03 -6.234297917e-03 4.76 -5.324122931e-03 -5.324122931e-03 4.78 -4.541474611e-03 -4.541474611e-03 4.80 -3.870265627e-03 -3.870265627e-03 4.82 -3.295908192e-03 -3.295908192e-03 4.84 -2.805333647e-03 -2.805333647e-03 4.86 -2.386951928e-03 -2.386951928e-03 4.88 -2.030570482e-03 -2.030570482e-03 4.90 -1.727288631e-03 -1.727288631e-03 4.92 -1.469379405e-03 -1.469379405e-03 4.94 -1.250167596e-03 -1.250167596e-03 4.96 -1.063910093e-03 -1.063910093e-03 4.98 -9.056824106e-04 -9.056824106e-04 5.00 -7.712737686e-04 -7.712737686e-04 5.02 -6.570918581e-04 -6.570918581e-04 5.04 -5.600776660e-04 -5.600776660e-04 5.06 -4.776301566e-04 -4.776301566e-04 5.08 -4.075402772e-04 -4.075402772e-04 5.10 -3.479335597e-04 -3.479335597e-04 5.12 -2.972204942e-04 -2.972204942e-04 5.14 -2.540538318e-04 -2.540538318e-04 5.16 -2.172919940e-04 -2.172919940e-04 5.18 -1.859678159e-04 -1.859678159e-04 5.20 -1.592619156e-04 -1.592619156e-04 5.22 -1.364800532e-04 -1.364800532e-04 5.24 -1.170339130e-04 -1.170339130e-04 5.26 -1.004248151e-04 -1.004248151e-04 5.28 -8.622992155e-05 -8.622992155e-05 5.30 -7.409056631e-05 -7.409056631e-05 5.32 -6.370238577e-05 -6.370238577e-05 5.34 -5.480697646e-05 -5.480697646e-05 5.36 -4.718484444e-05 -4.718484444e-05 5.38 -4.064944728e-05 -4.064944728e-05 5.40 -3.504215892e-05 -3.504215892e-05 5.42 -3.022801419e-05 -3.022801419e-05 5.44 -2.609211135e-05 -2.609211135e-05 5.46 -2.253657022e-05 -2.253657022e-05 5.48 -1.947795904e-05 -1.947795904e-05 5.50 -1.684511716e-05 -1.684511716e-05 5.52 -1.457731175e-05 -1.457731175e-05 5.54 -1.262267669e-05 -1.262267669e-05 5.56 -1.093688960e-05 -1.093688960e-05 5.58 -9.482050243e-06 -9.482050243e-06 5.60 -8.225729105e-06 -8.225729105e-06 5.62 -7.140159790e-06 -7.140159790e-06 5.64 -6.201553186e-06 -6.201553186e-06 5.66 -5.389514641e-06 -5.389514641e-06 5.68 -4.686548402e-06 -4.686548402e-06 5.70 -4.077635974e-06 -4.077635974e-06 5.72 -3.549877161e-06 -3.549877161e-06 5.74 -3.092184283e-06 -3.092184283e-06 5.76 -2.695021513e-06 -2.695021513e-06 5.78 -2.350182551e-06 -2.350182551e-06 5.80 -2.050600869e-06 -2.050600869e-06 5.82 -1.790187656e-06 -1.790187656e-06 5.84 -1.563693328e-06 -1.563693328e-06 5.86 -1.366589109e-06 -1.366589109e-06 5.88 -1.194965699e-06 -1.194965699e-06 5.90 -1.045446524e-06 -1.045446524e-06 5.92 -9.151134024e-07 -9.151134024e-07 5.94 -8.014428390e-07 -8.014428390e-07 5.96 -7.022513639e-07 -7.022513639e-07 5.98 -6.156486246e-07 -6.156486246e-07 6.00 -5.399970979e-07 -5.399970979e-07