# 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 = Fe2MoW # 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 2.843885618e+02 2.843885618e+02 1.30 2.605953970e+02 2.605953970e+02 1.32 2.387597057e+02 2.387597057e+02 1.34 2.186991783e+02 2.186991783e+02 1.36 2.002479530e+02 2.002479530e+02 1.38 1.832573734e+02 1.832573734e+02 1.40 1.675968736e+02 1.675968736e+02 1.42 1.531539560e+02 1.531539560e+02 1.44 1.398326267e+02 1.398326267e+02 1.46 1.275504724e+02 1.275504724e+02 1.48 1.162351739e+02 1.162351739e+02 1.50 1.058213049e+02 1.058213049e+02 1.52 9.624793021e+01 9.624793021e+01 1.54 8.745713723e+01 8.745713723e+01 1.56 7.939336779e+01 7.939336779e+01 1.58 7.200327586e+01 7.200327586e+01 1.60 6.523582121e+01 6.523582121e+01 1.62 5.904238426e+01 5.904238426e+01 1.64 5.337680462e+01 5.337680462e+01 1.66 4.819534339e+01 4.819534339e+01 1.68 4.345661575e+01 4.345661575e+01 1.70 3.912154739e+01 3.912154739e+01 1.72 3.515339732e+01 3.515339732e+01 1.74 3.151788194e+01 3.151788194e+01 1.76 2.818394977e+01 2.818394977e+01 1.78 2.512360501e+01 2.512360501e+01 1.80 2.231333523e+01 2.231333523e+01 1.82 1.972995945e+01 1.972995945e+01 1.84 1.735320444e+01 1.735320444e+01 1.86 1.516610256e+01 1.516610256e+01 1.88 1.315448656e+01 1.315448656e+01 1.90 1.130644437e+01 1.130644437e+01 1.92 9.611649632e+00 9.611649632e+00 1.94 8.060712942e+00 8.060712942e+00 1.96 6.644672893e+00 6.644672893e+00 1.98 5.354680863e+00 5.354680863e+00 2.00 4.181870500e+00 4.181870500e+00 2.02 3.117364474e+00 3.117364474e+00 2.04 2.152359983e+00 2.152359983e+00 2.06 1.278243283e+00 1.278243283e+00 2.08 4.867032186e-01 4.867032186e-01 2.10 -2.301653703e-01 -2.301653703e-01 2.12 -8.797648759e-01 -8.797648759e-01 2.14 -1.468902087e+00 -1.468902087e+00 2.16 -2.003706958e+00 -2.003706958e+00 2.18 -2.489580048e+00 -2.489580048e+00 2.20 -2.931185313e+00 -2.931185313e+00 2.22 -3.332494114e+00 -3.332494114e+00 2.24 -3.696871728e+00 -3.696871728e+00 2.26 -4.027187503e+00 -4.027187503e+00 2.28 -4.325927656e+00 -4.325927656e+00 2.30 -4.595255313e+00 -4.595255313e+00 2.32 -4.837099713e+00 -4.837099713e+00 2.34 -5.053431199e+00 -5.053431199e+00 2.36 -5.246079455e+00 -5.246079455e+00 2.38 -5.416744783e+00 -5.416744783e+00 2.40 -5.567014043e+00 -5.567014043e+00 2.42 -5.698368835e+00 -5.698368835e+00 2.44 -5.812160653e+00 -5.812160653e+00 2.46 -5.909369713e+00 -5.909369713e+00 2.48 -5.990665254e+00 -5.990665254e+00 2.50 -6.056954454e+00 -6.056954454e+00 2.52 -6.109201586e+00 -6.109201586e+00 2.54 -6.148303094e+00 -6.148303094e+00 2.56 -6.175082474e+00 -6.175082474e+00 2.58 -6.190287748e+00 -6.190287748e+00 2.60 -6.194591839e+00 -6.194591839e+00 2.62 -6.188505569e+00 -6.188505569e+00 2.64 -6.172235514e+00 -6.172235514e+00 2.66 -6.145948487e+00 -6.145948487e+00 2.68 -6.109823140e+00 -6.109823140e+00 2.70 -6.064048350e+00 -6.064048350e+00 2.72 -6.008823405e+00 -6.008823405e+00 2.74 -5.944359452e+00 -5.944359452e+00 2.76 -5.870882226e+00 -5.870882226e+00 2.78 -5.788636497e+00 -5.788636497e+00 2.80 -5.697892827e+00 -5.697892827e+00 2.82 -5.598957393e+00 -5.598957393e+00 2.84 -5.492191638e+00 -5.492191638e+00 2.86 -5.378005167e+00 -5.378005167e+00 2.88 -5.256881616e+00 -5.256881616e+00 2.90 -5.129398404e+00 -5.129398404e+00 2.92 -4.996233885e+00 -4.996233885e+00 2.94 -4.858166770e+00 -4.858166770e+00 2.96 -4.716065436e+00 -4.716065436e+00 2.98 -4.570848331e+00 -4.570848331e+00 3.00 -4.423255441e+00 -4.423255441e+00 3.02 -4.273927601e+00 -4.273927601e+00 3.04 -4.123522793e+00 -4.123522793e+00 3.06 -3.972664372e+00 -3.972664372e+00 3.08 -3.821897276e+00 -3.821897276e+00 3.10 -3.671659842e+00 -3.671659842e+00 3.12 -3.522272805e+00 -3.522272805e+00 3.14 -3.373944385e+00 -3.373944385e+00 3.16 -3.226788236e+00 -3.226788236e+00 3.18 -3.080849693e+00 -3.080849693e+00 3.20 -2.936135378e+00 -2.936135378e+00 3.22 -2.792641770e+00 -2.792641770e+00 3.24 -2.650379432e+00 -2.650379432e+00 3.26 -2.509391057e+00 -2.509391057e+00 3.28 -2.369762986e+00 -2.369762986e+00 3.30 -2.231631080e+00 -2.231631080e+00 3.32 -2.095182625e+00 -2.095182625e+00 3.34 -1.960656120e+00 -1.960656120e+00 3.36 -1.828340385e+00 -1.828340385e+00 3.38 -1.698573504e+00 -1.698573504e+00 3.40 -1.571741101e+00 -1.571741101e+00 3.42 -1.448272579e+00 -1.448272579e+00 3.44 -1.328633630e+00 -1.328633630e+00 3.46 -1.213313654e+00 -1.213313654e+00 3.48 -1.102807675e+00 -1.102807675e+00 3.50 -9.975936306e-01 -9.975936306e-01 3.52 -8.981070892e-01 -8.981070892e-01 3.54 -8.047163204e-01 -8.047163204e-01 3.56 -7.177007702e-01 -7.177007702e-01 3.58 -6.372355408e-01 -6.372355408e-01 3.60 -5.633834911e-01 -5.633834911e-01 3.62 -4.960953821e-01 -4.960953821e-01 3.64 -4.352173711e-01 -4.352173711e-01 3.66 -3.805043158e-01 -3.805043158e-01 3.68 -3.316368810e-01 -3.316368810e-01 3.70 -2.882404209e-01 -2.882404209e-01 3.72 -2.499038624e-01 -2.499038624e-01 3.74 -2.161970664e-01 -2.161970664e-01 3.76 -1.866854664e-01 -1.866854664e-01 3.78 -1.609438180e-01 -1.609438180e-01 3.80 -1.385645282e-01 -1.385645282e-01 3.82 -1.191640813e-01 -1.191640813e-01 3.84 -1.023873781e-01 -1.023873781e-01 3.86 -8.791001177e-02 -8.791001177e-02 3.88 -7.543893108e-02 -7.543893108e-02 3.90 -6.471190864e-02 -6.471190864e-02 3.92 -5.549617042e-02 -5.549617042e-02 3.94 -4.758648203e-02 -4.758648203e-02 3.96 -4.080292319e-02 -4.080292319e-02 3.98 -3.498852585e-02 -3.498852585e-02 4.00 -3.000690509e-02 -3.000690509e-02 4.02 -2.573995709e-02 -2.573995709e-02 4.04 -2.208570489e-02 -2.208570489e-02 4.06 -1.895630750e-02 -1.895630750e-02 4.08 -1.627596761e-02 -1.627596761e-02 4.10 -1.397928980e-02 -1.397928980e-02 4.12 -1.201137151e-02 -1.201137151e-02 4.14 -1.032500290e-02 -1.032500290e-02 4.16 -8.879609143e-03 -8.879609143e-03 4.18 -7.640395463e-03 -7.640395463e-03 4.20 -6.577569981e-03 -6.577569981e-03 4.22 -5.665651242e-03 -5.665651242e-03 4.24 -4.882859370e-03 -4.882859370e-03 4.26 -4.210585748e-03 -4.210585748e-03 4.28 -3.632934157e-03 -3.632934157e-03 4.30 -3.136325653e-03 -3.136325653e-03 4.32 -2.709159482e-03 -2.709159482e-03 4.34 -2.341522824e-03 -2.341522824e-03 4.36 -2.024942764e-03 -2.024942764e-03 4.38 -1.752174613e-03 -1.752174613e-03 4.40 -1.517021417e-03 -1.517021417e-03 4.42 -1.314180129e-03 -1.314180129e-03 4.44 -1.139110551e-03 -1.139110551e-03 4.46 -9.879237038e-04 -9.879237038e-04 4.48 -8.572867225e-04 -8.572867225e-04 4.50 -7.443418412e-04 -7.443418412e-04 4.52 -6.466373561e-04 -6.466373561e-04 4.54 -5.620687829e-04 -5.620687829e-04 4.56 -4.888286856e-04 -4.888286856e-04 4.58 -4.253638841e-04 -4.253638841e-04 4.60 -3.703389388e-04 -3.703389388e-04 4.62 -3.226049789e-04 -3.226049789e-04 4.64 -2.811730799e-04 -2.811730799e-04 4.66 -2.451915140e-04 -2.451915140e-04 4.68 -2.139263019e-04 -2.139263019e-04 4.70 -1.867445778e-04 -1.867445778e-04 4.72 -1.631003524e-04 -1.631003524e-04 4.74 -1.425223228e-04 -1.425223228e-04 4.76 -1.246034287e-04 -1.246034287e-04 4.78 -1.089918999e-04 -1.089918999e-04 4.80 -9.538356678e-05 -9.538356678e-05 4.82 -8.351531915e-05 -8.351531915e-05 4.84 -7.315937394e-05 -7.315937394e-05 4.86 -6.411846681e-05 -6.411846681e-05 4.88 -5.622166083e-05 -5.622166083e-05 4.90 -4.932075334e-05 -4.932075334e-05 4.92 -4.328718395e-05 -4.328718395e-05 4.94 -3.800937232e-05 -3.800937232e-05 4.96 -3.339042466e-05 -3.339042466e-05 4.98 -2.934615692e-05 -2.934615692e-05 5.00 -2.580338983e-05 -2.580338983e-05 5.02 -2.269847781e-05 -2.269847781e-05 5.04 -1.997603878e-05 -1.997603878e-05 5.06 -1.758785702e-05 -1.758785702e-05 5.08 -1.549193486e-05 -1.549193486e-05 5.10 -1.365167267e-05 -1.365167267e-05 5.12 -1.203515940e-05 -1.203515940e-05 5.14 -1.061455837e-05 -1.061455837e-05 5.16 -9.365575374e-06 -9.365575374e-06 5.18 -8.266997665e-06 -8.266997665e-06 5.20 -7.300294362e-06 -7.300294362e-06 5.22 -6.449269744e-06 -6.449269744e-06 5.24 -5.699762392e-06 -5.699762392e-06 5.26 -5.039383932e-06 -5.039383932e-06 5.28 -4.457292082e-06 -4.457292082e-06 5.30 -3.943993378e-06 -3.943993378e-06 5.32 -3.491171630e-06 -3.491171630e-06 5.34 -3.091538676e-06 -3.091538676e-06 5.36 -2.738704469e-06 -2.738704469e-06 5.38 -2.427063940e-06 -2.427063940e-06 5.40 -2.151698429e-06 -2.151698429e-06 5.42 -1.908289760e-06 -1.908289760e-06 5.44 -1.693045309e-06 -1.693045309e-06 5.46 -1.502632627e-06 -1.502632627e-06 5.48 -1.334122373e-06 -1.334122373e-06 5.50 -1.184938477e-06 -1.184938477e-06 5.52 -1.052814597e-06 -1.052814597e-06 5.54 -9.357560632e-07 -9.357560632e-07 5.56 -8.320065980e-07 -8.320065980e-07 5.58 -7.400191982e-07 -7.400191982e-07 5.60 -6.584306543e-07 -6.584306543e-07 5.62 -5.860392371e-07 -5.860392371e-07 5.64 -5.217851529e-07 -5.217851529e-07 5.66 -4.647334142e-07 -4.647334142e-07 5.68 -4.140588228e-07 -4.140588228e-07 5.70 -3.690327979e-07 -3.690327979e-07 5.72 -3.290118193e-07 -3.290118193e-07 5.74 -2.934272813e-07 -2.934272813e-07 5.76 -2.617765837e-07 -2.617765837e-07 5.78 -2.336153043e-07 -2.336153043e-07 5.80 -2.085503198e-07 -2.085503198e-07 5.82 -1.862337570e-07 -1.862337570e-07 5.84 -1.663576728e-07 -1.663576728e-07 5.86 -1.486493725e-07 -1.486493725e-07 5.88 -1.328672890e-07 -1.328672890e-07 5.90 -1.187973541e-07 -1.187973541e-07 5.92 -1.062498008e-07 -1.062498008e-07 5.94 -9.505634643e-08 -9.505634643e-08 5.96 -8.506770855e-08 -8.506770855e-08 5.98 -7.615141407e-08 -7.615141407e-08 6.00 -6.818986653e-08 -6.818986653e-08