# 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 = Fe2WZr # 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 3.009591132e+02 3.009591132e+02 1.30 2.763040347e+02 2.763040347e+02 1.32 2.536249243e+02 2.536249243e+02 1.34 2.327490861e+02 2.327490861e+02 1.36 2.135204902e+02 2.135204902e+02 1.38 1.957983914e+02 1.957983914e+02 1.40 1.794565501e+02 1.794565501e+02 1.42 1.643823838e+02 1.643823838e+02 1.44 1.504759472e+02 1.504759472e+02 1.46 1.376488269e+02 1.376488269e+02 1.48 1.258226614e+02 1.258226614e+02 1.50 1.149269161e+02 1.149269161e+02 1.52 1.048963525e+02 1.048963525e+02 1.54 9.566904299e+01 9.566904299e+01 1.56 8.718554476e+01 8.718554476e+01 1.58 7.938907824e+01 7.938907824e+01 1.60 7.222598363e+01 7.222598363e+01 1.62 6.564593096e+01 6.564593096e+01 1.64 5.960186813e+01 5.960186813e+01 1.66 5.404990570e+01 5.404990570e+01 1.68 4.894924764e+01 4.894924764e+01 1.70 4.426222305e+01 4.426222305e+01 1.72 3.995421032e+01 3.995421032e+01 1.74 3.599346314e+01 3.599346314e+01 1.76 3.235084644e+01 3.235084644e+01 1.78 2.899959817e+01 2.899959817e+01 1.80 2.591513339e+01 2.591513339e+01 1.82 2.307496221e+01 2.307496221e+01 1.84 2.045909870e+01 2.045909870e+01 1.86 1.805022138e+01 1.805022138e+01 1.88 1.583209961e+01 1.583209961e+01 1.90 1.379045007e+01 1.379045007e+01 1.92 1.191264936e+01 1.191264936e+01 1.94 1.018754228e+01 1.018754228e+01 1.96 8.604788258e+00 8.604788258e+00 1.98 7.154526813e+00 7.154526813e+00 2.00 5.827220176e+00 5.827220176e+00 2.02 4.613620529e+00 4.613620529e+00 2.04 3.504807878e+00 3.504807878e+00 2.06 2.492247490e+00 2.492247490e+00 2.08 1.567833893e+00 1.567833893e+00 2.10 7.239340030e-01 7.239340030e-01 2.12 -4.656605241e-02 -4.656605241e-02 2.14 -7.502085205e-01 -7.502085205e-01 2.16 -1.392903930e+00 -1.392903930e+00 2.18 -1.979909021e+00 -1.979909021e+00 2.20 -2.515846421e+00 -2.515846421e+00 2.22 -3.004780560e+00 -3.004780560e+00 2.24 -3.450306598e+00 -3.450306598e+00 2.26 -3.855631307e+00 -3.855631307e+00 2.28 -4.223649008e+00 -4.223649008e+00 2.30 -4.556969469e+00 -4.556969469e+00 2.32 -4.857986432e+00 -4.857986432e+00 2.34 -5.128891832e+00 -5.128891832e+00 2.36 -5.371729523e+00 -5.371729523e+00 2.38 -5.588424018e+00 -5.588424018e+00 2.40 -5.780807344e+00 -5.780807344e+00 2.42 -5.950642722e+00 -5.950642722e+00 2.44 -6.099604717e+00 -6.099604717e+00 2.46 -6.229272646e+00 -6.229272646e+00 2.48 -6.341310314e+00 -6.341310314e+00 2.50 -6.437288897e+00 -6.437288897e+00 2.52 -6.518650581e+00 -6.518650581e+00 2.54 -6.586692267e+00 -6.586692267e+00 2.56 -6.642624576e+00 -6.642624576e+00 2.58 -6.687415482e+00 -6.687415482e+00 2.60 -6.721783691e+00 -6.721783691e+00 2.62 -6.746134293e+00 -6.746134293e+00 2.64 -6.760785642e+00 -6.760785642e+00 2.66 -6.766052094e+00 -6.766052094e+00 2.68 -6.762255154e+00 -6.762255154e+00 2.70 -6.749614985e+00 -6.749614985e+00 2.72 -6.728168292e+00 -6.728168292e+00 2.74 -6.697984334e+00 -6.697984334e+00 2.76 -6.659181783e+00 -6.659181783e+00 2.78 -6.611915764e+00 -6.611915764e+00 2.80 -6.556376387e+00 -6.556376387e+00 2.82 -6.492771459e+00 -6.492771459e+00 2.84 -6.421333984e+00 -6.421333984e+00 2.86 -6.342323375e+00 -6.342323375e+00 2.88 -6.256032668e+00 -6.256032668e+00 2.90 -6.162797760e+00 -6.162797760e+00 2.92 -6.063006575e+00 -6.063006575e+00 2.94 -5.957105874e+00 -5.957105874e+00 2.96 -5.845603641e+00 -5.845603641e+00 2.98 -5.729068560e+00 -5.729068560e+00 3.00 -5.608117866e+00 -5.608117866e+00 3.02 -5.483389391e+00 -5.483389391e+00 3.04 -5.355532435e+00 -5.355532435e+00 3.06 -5.225202732e+00 -5.225202732e+00 3.08 -5.093019242e+00 -5.093019242e+00 3.10 -4.959568314e+00 -4.959568314e+00 3.12 -4.825390666e+00 -4.825390666e+00 3.14 -4.690988180e+00 -4.690988180e+00 3.16 -4.556719362e+00 -4.556719362e+00 3.18 -4.422751094e+00 -4.422751094e+00 3.20 -4.289247762e+00 -4.289247762e+00 3.22 -4.156395806e+00 -4.156395806e+00 3.24 -4.024406124e+00 -4.024406124e+00 3.26 -3.893515112e+00 -3.893515112e+00 3.28 -3.763983240e+00 -3.763983240e+00 3.30 -3.636090344e+00 -3.636090344e+00 3.32 -3.510127499e+00 -3.510127499e+00 3.34 -3.386386268e+00 -3.386386268e+00 3.36 -3.265147086e+00 -3.265147086e+00 3.38 -3.146668968e+00 -3.146668968e+00 3.40 -3.031181025e+00 -3.031181025e+00 3.42 -2.918884925e+00 -2.918884925e+00 3.44 -2.809946276e+00 -2.809946276e+00 3.46 -2.704503504e+00 -2.704503504e+00 3.48 -2.602669066e+00 -2.602669066e+00 3.50 -2.504531410e+00 -2.504531410e+00 3.52 -2.410155270e+00 -2.410155270e+00 3.54 -2.319580338e+00 -2.319580338e+00 3.56 -2.232818958e+00 -2.232818958e+00 3.58 -2.149853763e+00 -2.149853763e+00 3.60 -2.070636138e+00 -2.070636138e+00 3.62 -1.995086168e+00 -1.995086168e+00 3.64 -1.923094359e+00 -1.923094359e+00 3.66 -1.854525114e+00 -1.854525114e+00 3.68 -1.789221661e+00 -1.789221661e+00 3.70 -1.727012000e+00 -1.727012000e+00 3.72 -1.667715375e+00 -1.667715375e+00 3.74 -1.611148796e+00 -1.611148796e+00 3.76 -1.557133184e+00 -1.557133184e+00 3.78 -1.505498764e+00 -1.505498764e+00 3.80 -1.456089350e+00 -1.456089350e+00 3.82 -1.408765228e+00 -1.408765228e+00 3.84 -1.363404401e+00 -1.363404401e+00 3.86 -1.319902080e+00 -1.319902080e+00 3.88 -1.278168542e+00 -1.278168542e+00 3.90 -1.238125713e+00 -1.238125713e+00 3.92 -1.199700989e+00 -1.199700989e+00 3.94 -1.162832015e+00 -1.162832015e+00 3.96 -1.127449485e+00 -1.127449485e+00 3.98 -1.093484908e+00 -1.093484908e+00 4.00 -1.060867247e+00 -1.060867247e+00 4.02 -1.029523368e+00 -1.029523368e+00 4.04 -9.993792460e-01 -9.993792460e-01 4.06 -9.703613081e-01 -9.703613081e-01 4.08 -9.423990059e-01 -9.423990059e-01 4.10 -9.154206135e-01 -9.154206135e-01 4.12 -8.893743329e-01 -8.893743329e-01 4.14 -8.641969315e-01 -8.641969315e-01 4.16 -8.398364706e-01 -8.398364706e-01 4.18 -8.162462187e-01 -8.162462187e-01 4.20 -7.933843456e-01 -7.933843456e-01 4.22 -7.712134962e-01 -7.712134962e-01 4.24 -7.497003089e-01 -7.497003089e-01 4.26 -7.288149279e-01 -7.288149279e-01 4.28 -7.085305370e-01 -7.085305370e-01 4.30 -6.888229334e-01 -6.888229334e-01 4.32 -6.696701478e-01 -6.696701478e-01 4.34 -6.510521145e-01 -6.510521145e-01 4.36 -6.329503875e-01 -6.329503875e-01 4.38 -6.153478997e-01 -6.153478997e-01 4.40 -5.982287605e-01 -5.982287605e-01 4.42 -5.815780862e-01 -5.815780862e-01 4.44 -5.653818584e-01 -5.653818584e-01 4.46 -5.496268066e-01 -5.496268066e-01 4.48 -5.343003104e-01 -5.343003104e-01 4.50 -5.193903181e-01 -5.193903181e-01 4.52 -5.048852790e-01 -5.048852790e-01 4.54 -4.907740869e-01 -4.907740869e-01 4.56 -4.770460328e-01 -4.770460328e-01 4.58 -4.636907647e-01 -4.636907647e-01 4.60 -4.506982543e-01 -4.506982543e-01 4.62 -4.380587675e-01 -4.380587675e-01 4.64 -4.257628398e-01 -4.257628398e-01 4.66 -4.138012544e-01 -4.138012544e-01 4.68 -4.021650233e-01 -4.021650233e-01 4.70 -3.908453696e-01 -3.908453696e-01 4.72 -3.798337122e-01 -3.798337122e-01 4.74 -3.691216512e-01 -3.691216512e-01 4.76 -3.587009544e-01 -3.587009544e-01 4.78 -3.485635443e-01 -3.485635443e-01 4.80 -3.386983093e-01 -3.386983093e-01 4.82 -3.291043388e-01 -3.291043388e-01 4.84 -3.197701337e-01 -3.197701337e-01 4.86 -3.106881300e-01 -3.106881300e-01 4.88 -3.018508554e-01 -3.018508554e-01 4.90 -2.932509175e-01 -2.932509175e-01 4.92 -2.848809934e-01 -2.848809934e-01 4.94 -2.767338186e-01 -2.767338186e-01 4.96 -2.688021768e-01 -2.688021768e-01 4.98 -2.610788904e-01 -2.610788904e-01 5.00 -2.535568128e-01 -2.535568128e-01 5.02 -2.462288222e-01 -2.462288222e-01 5.04 -2.390878178e-01 -2.390878178e-01 5.06 -2.321267211e-01 -2.321267211e-01 5.08 -2.253384799e-01 -2.253384799e-01 5.10 -2.187160810e-01 -2.187160810e-01 5.12 -2.122525685e-01 -2.122525685e-01 5.14 -2.059410734e-01 -2.059410734e-01 5.16 -1.997748537e-01 -1.997748537e-01 5.18 -1.937473479e-01 -1.937473479e-01 5.20 -1.878522439e-01 -1.878522439e-01 5.22 -1.820835628e-01 -1.820835628e-01 5.24 -1.764357589e-01 -1.764357589e-01 5.26 -1.709038350e-01 -1.709038350e-01 5.28 -1.654834677e-01 -1.654834677e-01 5.30 -1.601711396e-01 -1.601711396e-01 5.32 -1.549642681e-01 -1.549642681e-01 5.34 -1.498613212e-01 -1.498613212e-01 5.36 -1.448619055e-01 -1.448619055e-01 5.38 -1.399668127e-01 -1.399668127e-01 5.40 -1.351780082e-01 -1.351780082e-01 5.42 -1.304985513e-01 -1.304985513e-01 5.44 -1.259324388e-01 -1.259324388e-01 5.46 -1.214843714e-01 -1.214843714e-01 5.48 -1.171594537e-01 -1.171594537e-01 5.50 -1.129628446e-01 -1.129628446e-01 5.52 -1.088993872e-01 -1.088993872e-01 5.54 -1.049732465e-01 -1.049732465e-01 5.56 -1.011875891e-01 -1.011875891e-01 5.58 -9.754433138e-02 -9.754433138e-02 5.60 -9.404387204e-02 -9.404387204e-02 5.62 -9.068517874e-02 -9.068517874e-02 5.64 -8.746591033e-02 -8.746591033e-02 5.66 -8.438233899e-02 -8.438233899e-02 5.68 -8.142952416e-02 -8.142952416e-02 5.70 -7.860152637e-02 -7.860152637e-02 5.72 -7.589163783e-02 -7.589163783e-02 5.74 -7.329261052e-02 -7.329261052e-02 5.76 -7.079686682e-02 -7.079686682e-02 5.78 -6.839668321e-02 -6.839668321e-02 5.80 -6.608434221e-02 -6.608434221e-02 5.82 -6.385225177e-02 -6.385225177e-02 5.84 -6.169303424e-02 -6.169303424e-02 5.86 -5.959958908e-02 -5.959958908e-02 5.88 -5.756513447e-02 -5.756513447e-02 5.90 -5.558323326e-02 -5.558323326e-02 5.92 -5.364780867e-02 -5.364780867e-02 5.94 -5.175315463e-02 -5.175315463e-02 5.96 -4.989394521e-02 -4.989394521e-02 5.98 -4.806524644e-02 -4.806524644e-02 6.00 -4.626253376e-02 -4.626253376e-02