# 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 = Au2FeTi # 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 3.067932215e+02 3.067932215e+02 1.30 2.835765326e+02 2.835765326e+02 1.32 2.621249306e+02 2.621249306e+02 1.34 2.422982856e+02 2.422982856e+02 1.36 2.239670589e+02 2.239670589e+02 1.38 2.070112096e+02 2.070112096e+02 1.40 1.913205320e+02 1.913205320e+02 1.42 1.767946483e+02 1.767946483e+02 1.44 1.633421601e+02 1.633421601e+02 1.46 1.508793585e+02 1.508793585e+02 1.48 1.393291481e+02 1.393291481e+02 1.50 1.286205796e+02 1.286205796e+02 1.52 1.186886903e+02 1.186886903e+02 1.54 1.094740880e+02 1.094740880e+02 1.56 1.009221383e+02 1.009221383e+02 1.58 9.298208050e+01 9.298208050e+01 1.60 8.560650047e+01 8.560650047e+01 1.62 7.875128215e+01 7.875128215e+01 1.64 7.237580933e+01 7.237580933e+01 1.66 6.644315882e+01 6.644315882e+01 1.68 6.092020833e+01 6.092020833e+01 1.70 5.577761508e+01 5.577761508e+01 1.72 5.098950172e+01 5.098950172e+01 1.74 4.653274024e+01 4.653274024e+01 1.76 4.238828281e+01 4.238828281e+01 1.78 3.855788587e+01 3.855788587e+01 1.80 3.502451529e+01 3.502451529e+01 1.82 3.176572801e+01 3.176572801e+01 1.84 2.876024116e+01 2.876024116e+01 1.86 2.598821010e+01 2.598821010e+01 1.88 2.343143239e+01 2.343143239e+01 1.90 2.107339250e+01 2.107339250e+01 1.92 1.889913899e+01 1.889913899e+01 1.94 1.689502520e+01 1.689502520e+01 1.96 1.504839036e+01 1.504839036e+01 1.98 1.334729225e+01 1.334729225e+01 2.00 1.178038843e+01 1.178038843e+01 2.02 1.033697610e+01 1.033697610e+01 2.04 9.007110808e+00 9.007110808e+00 2.06 7.781706111e+00 7.781706111e+00 2.08 6.652563096e+00 6.652563096e+00 2.10 5.612330457e+00 5.612330457e+00 2.12 4.654416063e+00 4.654416063e+00 2.14 3.772874208e+00 3.772874208e+00 2.16 2.962289223e+00 2.962289223e+00 2.18 2.217672226e+00 2.217672226e+00 2.20 1.534381212e+00 1.534381212e+00 2.22 9.080676304e-01 9.080676304e-01 2.24 3.346487522e-01 3.346487522e-01 2.26 -1.896988420e-01 -1.896988420e-01 2.28 -6.685337568e-01 -6.685337568e-01 2.30 -1.105144005e+00 -1.105144005e+00 2.32 -1.502552118e+00 -1.502552118e+00 2.34 -1.863533113e+00 -1.863533113e+00 2.36 -2.190639581e+00 -2.190639581e+00 2.38 -2.486226456e+00 -2.486226456e+00 2.40 -2.752472042e+00 -2.752472042e+00 2.42 -2.991396672e+00 -2.991396672e+00 2.44 -3.204881544e+00 -3.204881544e+00 2.46 -3.394689367e+00 -3.394689367e+00 2.48 -3.562485981e+00 -3.562485981e+00 2.50 -3.709860898e+00 -3.709860898e+00 2.52 -3.838344029e+00 -3.838344029e+00 2.54 -3.949416303e+00 -3.949416303e+00 2.56 -4.044512848e+00 -4.044512848e+00 2.58 -4.125059621e+00 -4.125059621e+00 2.60 -4.192389580e+00 -4.192389580e+00 2.62 -4.247668164e+00 -4.247668164e+00 2.64 -4.291982412e+00 -4.291982412e+00 2.66 -4.326322392e+00 -4.326322392e+00 2.68 -4.351569482e+00 -4.351569482e+00 2.70 -4.368495099e+00 -4.368495099e+00 2.72 -4.377759834e+00 -4.377759834e+00 2.74 -4.379935484e+00 -4.379935484e+00 2.76 -4.375257252e+00 -4.375257252e+00 2.78 -4.363927257e+00 -4.363927257e+00 2.80 -4.346180160e+00 -4.346180160e+00 2.82 -4.322283505e+00 -4.322283505e+00 2.84 -4.292540522e+00 -4.292540522e+00 2.86 -4.257286126e+00 -4.257286126e+00 2.88 -4.216880473e+00 -4.216880473e+00 2.90 -4.171690278e+00 -4.171690278e+00 2.92 -4.122088581e+00 -4.122088581e+00 2.94 -4.068444963e+00 -4.068444963e+00 2.96 -4.011046230e+00 -4.011046230e+00 2.98 -3.950169341e+00 -3.950169341e+00 3.00 -3.886123054e+00 -3.886123054e+00 3.02 -3.819243225e+00 -3.819243225e+00 3.04 -3.749885715e+00 -3.749885715e+00 3.06 -3.678415984e+00 -3.678415984e+00 3.08 -3.605195437e+00 -3.605195437e+00 3.10 -3.530567518e+00 -3.530567518e+00 3.12 -3.454846234e+00 -3.454846234e+00 3.14 -3.378310114e+00 -3.378310114e+00 3.16 -3.301201903e+00 -3.301201903e+00 3.18 -3.223733854e+00 -3.223733854e+00 3.20 -3.146095841e+00 -3.146095841e+00 3.22 -3.068464115e+00 -3.068464115e+00 3.24 -2.991008605e+00 -2.991008605e+00 3.26 -2.913897520e+00 -2.913897520e+00 3.28 -2.837298825e+00 -2.837298825e+00 3.30 -2.761378865e+00 -2.761378865e+00 3.32 -2.686298878e+00 -2.686298878e+00 3.34 -2.612210395e+00 -2.612210395e+00 3.36 -2.539250577e+00 -2.539250577e+00 3.38 -2.467538388e+00 -2.467538388e+00 3.40 -2.397172244e+00 -2.397172244e+00 3.42 -2.328229531e+00 -2.328229531e+00 3.44 -2.260767750e+00 -2.260767750e+00 3.46 -2.194827273e+00 -2.194827273e+00 3.48 -2.130434893e+00 -2.130434893e+00 3.50 -2.067607597e+00 -2.067607597e+00 3.52 -2.006355826e+00 -2.006355826e+00 3.54 -1.946685662e+00 -1.946685662e+00 3.56 -1.888599643e+00 -1.888599643e+00 3.58 -1.832096264e+00 -1.832096264e+00 3.60 -1.777168618e+00 -1.777168618e+00 3.62 -1.723802815e+00 -1.723802815e+00 3.64 -1.671976849e+00 -1.671976849e+00 3.66 -1.621660344e+00 -1.621660344e+00 3.68 -1.572815285e+00 -1.572815285e+00 3.70 -1.525397541e+00 -1.525397541e+00 3.72 -1.479358800e+00 -1.479358800e+00 3.74 -1.434648556e+00 -1.434648556e+00 3.76 -1.391215849e+00 -1.391215849e+00 3.78 -1.349010613e+00 -1.349010613e+00 3.80 -1.307984603e+00 -1.307984603e+00 3.82 -1.268091943e+00 -1.268091943e+00 3.84 -1.229289385e+00 -1.229289385e+00 3.86 -1.191536346e+00 -1.191536346e+00 3.88 -1.154794829e+00 -1.154794829e+00 3.90 -1.119029241e+00 -1.119029241e+00 3.92 -1.084206156e+00 -1.084206156e+00 3.94 -1.050294181e+00 -1.050294181e+00 3.96 -1.017263559e+00 -1.017263559e+00 3.98 -9.850860653e-01 -9.850860653e-01 4.00 -9.537347871e-01 -9.537347871e-01 4.02 -9.231839886e-01 -9.231839886e-01 4.04 -8.934090347e-01 -8.934090347e-01 4.06 -8.643863944e-01 -8.643863944e-01 4.08 -8.360937318e-01 -8.360937318e-01 4.10 -8.085100244e-01 -8.085100244e-01 4.12 -7.816161060e-01 -7.816161060e-01 4.14 -7.553945784e-01 -7.553945784e-01 4.16 -7.298304983e-01 -7.298304983e-01 4.18 -7.049116804e-01 -7.049116804e-01 4.20 -6.806290242e-01 -6.806290242e-01 4.22 -6.569767180e-01 -6.569767180e-01 4.24 -6.339522523e-01 -6.339522523e-01 4.26 -6.115561831e-01 -6.115561831e-01 4.28 -5.897916100e-01 -5.897916100e-01 4.30 -5.686633635e-01 -5.686633635e-01 4.32 -5.481769467e-01 -5.481769467e-01 4.34 -5.283373147e-01 -5.283373147e-01 4.36 -5.091476134e-01 -5.091476134e-01 4.38 -4.906080135e-01 -4.906080135e-01 4.40 -4.727147684e-01 -4.727147684e-01 4.42 -4.554595914e-01 -4.554595914e-01 4.44 -4.388293995e-01 -4.388293995e-01 4.46 -4.228064199e-01 -4.228064199e-01 4.48 -4.073686052e-01 -4.073686052e-01 4.50 -3.924902777e-01 -3.924902777e-01 4.52 -3.781429056e-01 -3.781429056e-01 4.54 -3.642959245e-01 -3.642959245e-01 4.56 -3.509175298e-01 -3.509175298e-01 4.58 -3.379753950e-01 -3.379753950e-01 4.60 -3.254372876e-01 -3.254372876e-01 4.62 -3.132715831e-01 -3.132715831e-01 4.64 -3.014476855e-01 -3.014476855e-01 4.66 -2.899363768e-01 -2.899363768e-01 4.68 -2.787101207e-01 -2.787101207e-01 4.70 -2.677433457e-01 -2.677433457e-01 4.72 -2.570127292e-01 -2.570127292e-01 4.74 -2.464975001e-01 -2.464975001e-01 4.76 -2.361797674e-01 -2.361797674e-01 4.78 -2.260448760e-01 -2.260448760e-01 4.80 -2.160817360e-01 -2.160817360e-01 4.82 -2.062833652e-01 -2.062833652e-01 4.84 -1.966469446e-01 -1.966469446e-01 4.86 -1.871742634e-01 -1.871742634e-01 4.88 -1.778717963e-01 -1.778717963e-01 4.90 -1.687506564e-01 -1.687506564e-01 4.92 -1.598263295e-01 -1.598263295e-01 4.94 -1.511181553e-01 -1.511181553e-01 4.96 -1.426485460e-01 -1.426485460e-01 4.98 -1.344419558e-01 -1.344419558e-01 5.00 -1.265236489e-01 -1.265236489e-01 5.02 -1.189183422e-01 -1.189183422e-01 5.04 -1.116488250e-01 -1.116488250e-01 5.06 -1.047346664e-01 -1.047346664e-01 5.08 -9.819112160e-02 -9.819112160e-02 5.10 -9.202832736e-02 -9.202832736e-02 5.12 -8.625084208e-02 -8.625084208e-02 5.14 -8.085755132e-02 -8.085755132e-02 5.16 -7.584191644e-02 -7.584191644e-02 5.18 -7.119250705e-02 -7.119250705e-02 5.20 -6.689372427e-02 -6.689372427e-02 5.22 -6.292648385e-02 -6.292648385e-02 5.24 -5.926962958e-02 -5.926962958e-02 5.26 -5.590039372e-02 -5.590039372e-02 5.28 -5.279509685e-02 -5.279509685e-02 5.30 -4.993051670e-02 -4.993051670e-02 5.32 -4.728378451e-02 -4.728378451e-02 5.34 -4.483281923e-02 -4.483281923e-02 5.36 -4.255666797e-02 -4.255666797e-02 5.38 -4.043572375e-02 -4.043572375e-02 5.40 -3.845184537e-02 -3.845184537e-02 5.42 -3.658840306e-02 -3.658840306e-02 5.44 -3.483027161e-02 -3.483027161e-02 5.46 -3.316378930e-02 -3.316378930e-02 5.48 -3.157669777e-02 -3.157669777e-02 5.50 -3.005807470e-02 -3.005807470e-02 5.52 -2.859826808e-02 -2.859826808e-02 5.54 -2.718883831e-02 -2.718883831e-02 5.56 -2.582251118e-02 -2.582251118e-02 5.58 -2.449314385e-02 -2.449314385e-02 5.60 -2.319570249e-02 -2.319570249e-02 5.62 -2.192624878e-02 -2.192624878e-02 5.64 -2.068193041e-02 -2.068193041e-02 5.66 -1.946096938e-02 -1.946096938e-02 5.68 -1.826264028e-02 -1.826264028e-02 5.70 -1.708723083e-02 -1.708723083e-02 5.72 -1.593597669e-02 -1.593597669e-02 5.74 -1.481096485e-02 -1.481096485e-02 5.76 -1.371499923e-02 -1.371499923e-02 5.78 -1.265129412e-02 -1.265129412e-02 5.80 -1.162353811e-02 -1.162353811e-02 5.82 -1.063565969e-02 -1.063565969e-02 5.84 -9.691495427e-03 -9.691495427e-03 5.86 -8.794572231e-03 -8.794572231e-03 5.88 -7.947913417e-03 -7.947913417e-03 5.90 -7.153882361e-03 -7.153882361e-03 5.92 -6.414073693e-03 -6.414073693e-03 5.94 -5.729256953e-03 -5.729256953e-03 5.96 -5.099372288e-03 -5.099372288e-03 5.98 -4.523572899e-03 -4.523572899e-03 6.00 -4.000305310e-03 -4.000305310e-03