# 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 = FeTa2Zr # 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 3.433478800e+02 3.433478800e+02 1.30 3.176244703e+02 3.176244703e+02 1.32 2.938389273e+02 2.938389273e+02 1.34 2.718313337e+02 2.718313337e+02 1.36 2.514576108e+02 2.514576108e+02 1.38 2.325883247e+02 2.325883247e+02 1.40 2.151072914e+02 2.151072914e+02 1.42 1.989097711e+02 1.989097711e+02 1.44 1.839004035e+02 1.839004035e+02 1.46 1.699911382e+02 1.699911382e+02 1.48 1.570994795e+02 1.570994795e+02 1.50 1.451473179e+02 1.451473179e+02 1.52 1.340605785e+02 1.340605785e+02 1.54 1.237696020e+02 1.237696020e+02 1.56 1.142100732e+02 1.142100732e+02 1.58 1.053238813e+02 1.053238813e+02 1.60 9.705938372e+01 9.705938372e+01 1.62 8.937089953e+01 8.937089953e+01 1.64 8.221779194e+01 8.221779194e+01 1.66 7.556348431e+01 7.556348431e+01 1.68 6.937465342e+01 6.937465342e+01 1.70 6.362065670e+01 6.362065670e+01 1.72 5.827303082e+01 5.827303082e+01 1.74 5.330506760e+01 5.330506760e+01 1.76 4.869148726e+01 4.869148726e+01 1.78 4.440826525e+01 4.440826525e+01 1.80 4.043257114e+01 4.043257114e+01 1.82 3.674277373e+01 3.674277373e+01 1.84 3.331846383e+01 3.331846383e+01 1.86 3.014053028e+01 3.014053028e+01 1.88 2.719119105e+01 2.719119105e+01 1.90 2.445393517e+01 2.445393517e+01 1.92 2.191336697e+01 2.191336697e+01 1.94 1.955502525e+01 1.955502525e+01 1.96 1.737075999e+01 1.737075999e+01 1.98 1.535113969e+01 1.535113969e+01 2.00 1.348289585e+01 1.348289585e+01 2.02 1.175353070e+01 1.175353070e+01 2.04 1.015170480e+01 1.015170480e+01 2.06 8.667289557e+00 8.667289557e+00 2.08 7.291376069e+00 7.291376069e+00 2.10 6.016194276e+00 6.016194276e+00 2.12 4.834939874e+00 4.834939874e+00 2.14 3.741578091e+00 3.741578091e+00 2.16 2.730665562e+00 2.730665562e+00 2.18 1.797200965e+00 1.797200965e+00 2.20 9.365178723e-01 9.365178723e-01 2.22 1.441943636e-01 1.441943636e-01 2.24 -5.840066720e-01 -5.840066720e-01 2.26 -1.252172609e+00 -1.252172609e+00 2.28 -1.864269079e+00 -1.864269079e+00 2.30 -2.424129042e+00 -2.424129042e+00 2.32 -2.935471565e+00 -2.935471565e+00 2.34 -3.401880003e+00 -3.401880003e+00 2.36 -3.826791938e+00 -3.826791938e+00 2.38 -4.213467618e+00 -4.213467618e+00 2.40 -4.564955743e+00 -4.564955743e+00 2.42 -4.884068420e+00 -4.884068420e+00 2.44 -5.173363320e+00 -5.173363320e+00 2.46 -5.435149546e+00 -5.435149546e+00 2.48 -5.671503061e+00 -5.671503061e+00 2.50 -5.884291757e+00 -5.884291757e+00 2.52 -6.075204502e+00 -6.075204502e+00 2.54 -6.245779783e+00 -6.245779783e+00 2.56 -6.397430236e+00 -6.397430236e+00 2.58 -6.531461317e+00 -6.531461317e+00 2.60 -6.649084557e+00 -6.649084557e+00 2.62 -6.751424916e+00 -6.751424916e+00 2.64 -6.839534348e+00 -6.839534348e+00 2.66 -6.914382488e+00 -6.914382488e+00 2.68 -6.976841089e+00 -6.976841089e+00 2.70 -7.027574001e+00 -7.027574001e+00 2.72 -7.067434175e+00 -7.067434175e+00 2.74 -7.097232565e+00 -7.097232565e+00 2.76 -7.117687108e+00 -7.117687108e+00 2.78 -7.129478698e+00 -7.129478698e+00 2.80 -7.133113346e+00 -7.133113346e+00 2.82 -7.129006381e+00 -7.129006381e+00 2.84 -7.117537782e+00 -7.117537782e+00 2.86 -7.099033296e+00 -7.099033296e+00 2.88 -7.073548383e+00 -7.073548383e+00 2.90 -7.041058800e+00 -7.041058800e+00 2.92 -7.001613955e+00 -7.001613955e+00 2.94 -6.955275596e+00 -6.955275596e+00 2.96 -6.902069192e+00 -6.902069192e+00 2.98 -6.842087605e+00 -6.842087605e+00 3.00 -6.775485506e+00 -6.775485506e+00 3.02 -6.702458710e+00 -6.702458710e+00 3.04 -6.623224527e+00 -6.623224527e+00 3.06 -6.538014927e+00 -6.538014927e+00 3.08 -6.447056261e+00 -6.447056261e+00 3.10 -6.350574093e+00 -6.350574093e+00 3.12 -6.248790482e+00 -6.248790482e+00 3.14 -6.141942760e+00 -6.141942760e+00 3.16 -6.030278644e+00 -6.030278644e+00 3.18 -5.914082981e+00 -5.914082981e+00 3.20 -5.793686169e+00 -5.793686169e+00 3.22 -5.669486695e+00 -5.669486695e+00 3.24 -5.541965254e+00 -5.541965254e+00 3.26 -5.411692800e+00 -5.411692800e+00 3.28 -5.279329439e+00 -5.279329439e+00 3.30 -5.145611504e+00 -5.145611504e+00 3.32 -5.011325936e+00 -5.011325936e+00 3.34 -4.877266493e+00 -4.877266493e+00 3.36 -4.744127747e+00 -4.744127747e+00 3.38 -4.612505039e+00 -4.612505039e+00 3.40 -4.482901017e+00 -4.482901017e+00 3.42 -4.355702113e+00 -4.355702113e+00 3.44 -4.231159632e+00 -4.231159632e+00 3.46 -4.109392931e+00 -4.109392931e+00 3.48 -3.990398427e+00 -3.990398427e+00 3.50 -3.874066884e+00 -3.874066884e+00 3.52 -3.760204741e+00 -3.760204741e+00 3.54 -3.648556869e+00 -3.648556869e+00 3.56 -3.538828923e+00 -3.538828923e+00 3.58 -3.430708224e+00 -3.430708224e+00 3.60 -3.323882677e+00 -3.323882677e+00 3.62 -3.218057661e+00 -3.218057661e+00 3.64 -3.112971017e+00 -3.112971017e+00 3.66 -3.008406308e+00 -3.008406308e+00 3.68 -2.904204418e+00 -2.904204418e+00 3.70 -2.800273403e+00 -2.800273403e+00 3.72 -2.696596251e+00 -2.696596251e+00 3.74 -2.593236046e+00 -2.593236046e+00 3.76 -2.490337859e+00 -2.490337859e+00 3.78 -2.388126699e+00 -2.388126699e+00 3.80 -2.286900924e+00 -2.286900924e+00 3.82 -2.187020879e+00 -2.187020879e+00 3.84 -2.088892876e+00 -2.088892876e+00 3.86 -1.992949273e+00 -1.992949273e+00 3.88 -1.899625952e+00 -1.899625952e+00 3.90 -1.809339018e+00 -1.809339018e+00 3.92 -1.722461344e+00 -1.722461344e+00 3.94 -1.639310386e+00 -1.639310386e+00 3.96 -1.560124817e+00 -1.560124817e+00 3.98 -1.485064212e+00 -1.485064212e+00 4.00 -1.414206059e+00 -1.414206059e+00 4.02 -1.347550121e+00 -1.347550121e+00 4.04 -1.285027037e+00 -1.285027037e+00 4.06 -1.226509657e+00 -1.226509657e+00 4.08 -1.171825611e+00 -1.171825611e+00 4.10 -1.120764263e+00 -1.120764263e+00 4.12 -1.073111881e+00 -1.073111881e+00 4.14 -1.028624637e+00 -1.028624637e+00 4.16 -9.870631527e-01 -9.870631527e-01 4.18 -9.481921043e-01 -9.481921043e-01 4.20 -9.117850845e-01 -9.117850845e-01 4.22 -8.776279772e-01 -8.776279772e-01 4.24 -8.455210762e-01 -8.455210762e-01 4.26 -8.152801991e-01 -8.152801991e-01 4.28 -7.867370289e-01 -7.867370289e-01 4.30 -7.597388848e-01 -7.597388848e-01 4.32 -7.341480931e-01 -7.341480931e-01 4.34 -7.098410985e-01 -7.098410985e-01 4.36 -6.867074200e-01 -6.867074200e-01 4.38 -6.646485336e-01 -6.646485336e-01 4.40 -6.435767425e-01 -6.435767425e-01 4.42 -6.234140751e-01 -6.234140751e-01 4.44 -6.040912074e-01 -6.040912074e-01 4.46 -5.855463119e-01 -5.855463119e-01 4.48 -5.677247452e-01 -5.677247452e-01 4.50 -5.505778446e-01 -5.505778446e-01 4.52 -5.340621283e-01 -5.340621283e-01 4.54 -5.181386813e-01 -5.181386813e-01 4.56 -5.027725993e-01 -5.027725993e-01 4.58 -4.879324921e-01 -4.879324921e-01 4.60 -4.735900429e-01 -4.735900429e-01 4.62 -4.597196201e-01 -4.597196201e-01 4.64 -4.462979373e-01 -4.462979373e-01 4.66 -4.333037552e-01 -4.333037552e-01 4.68 -4.207176230e-01 -4.207176230e-01 4.70 -4.085216517e-01 -4.085216517e-01 4.72 -3.966993179e-01 -3.966993179e-01 4.74 -3.852352923e-01 -3.852352923e-01 4.76 -3.741152912e-01 -3.741152912e-01 4.78 -3.633259460e-01 -3.633259460e-01 4.80 -3.528515128e-01 -3.528515128e-01 4.82 -3.426870239e-01 -3.426870239e-01 4.84 -3.328174178e-01 -3.328174178e-01 4.86 -3.232320021e-01 -3.232320021e-01 4.88 -3.139205529e-01 -3.139205529e-01 4.90 -3.048732561e-01 -3.048732561e-01 4.92 -2.960806541e-01 -2.960806541e-01 4.94 -2.875336004e-01 -2.875336004e-01 4.96 -2.792232181e-01 -2.792232181e-01 4.98 -2.711408638e-01 -2.711408638e-01 5.00 -2.632780968e-01 -2.632780968e-01 5.02 -2.556266528e-01 -2.556266528e-01 5.04 -2.481784229e-01 -2.481784229e-01 5.06 -2.409254381e-01 -2.409254381e-01 5.08 -2.338598610e-01 -2.338598610e-01 5.10 -2.269739839e-01 -2.269739839e-01 5.12 -2.202602363e-01 -2.202602363e-01 5.14 -2.137112027e-01 -2.137112027e-01 5.16 -2.073196510e-01 -2.073196510e-01 5.18 -2.010785757e-01 -2.010785757e-01 5.20 -1.949812538e-01 -1.949812538e-01 5.22 -1.890213178e-01 -1.890213178e-01 5.24 -1.831928423e-01 -1.831928423e-01 5.26 -1.774904464e-01 -1.774904464e-01 5.28 -1.719094060e-01 -1.719094060e-01 5.30 -1.664457725e-01 -1.664457725e-01 5.32 -1.610964895e-01 -1.610964895e-01 5.34 -1.558594980e-01 -1.558594980e-01 5.36 -1.507338164e-01 -1.507338164e-01 5.38 -1.457195826e-01 -1.457195826e-01 5.40 -1.408180437e-01 -1.408180437e-01 5.42 -1.360314817e-01 -1.360314817e-01 5.44 -1.313630689e-01 -1.313630689e-01 5.46 -1.268166531e-01 -1.268166531e-01 5.48 -1.223964785e-01 -1.223964785e-01 5.50 -1.181068621e-01 -1.181068621e-01 5.52 -1.139518497e-01 -1.139518497e-01 5.54 -1.099348796e-01 -1.099348796e-01 5.56 -1.060584833e-01 -1.060584833e-01 5.58 -1.023240492e-01 -1.023240492e-01 5.60 -9.873148682e-02 -9.873148682e-02 5.62 -9.527942916e-02 -9.527942916e-02 5.64 -9.196543193e-02 -9.196543193e-02 5.66 -8.878574044e-02 -8.878574044e-02 5.68 -8.573545379e-02 -8.573545379e-02 5.70 -8.280872702e-02 -8.280872702e-02 5.72 -7.999898860e-02 -7.999898860e-02 5.74 -7.729915495e-02 -7.729915495e-02 5.76 -7.470182825e-02 -7.470182825e-02 5.78 -7.219946858e-02 -7.219946858e-02 5.80 -6.978453613e-02 -6.978453613e-02 5.82 -6.744960288e-02 -6.744960288e-02 5.84 -6.518743599e-02 -6.518743599e-02 5.86 -6.299105691e-02 -6.299105691e-02 5.88 -6.085378111e-02 -6.085378111e-02 5.90 -5.876924377e-02 -5.876924377e-02 5.92 -5.673141650e-02 -5.673141650e-02 5.94 -5.473461988e-02 -5.473461988e-02 5.96 -5.277353600e-02 -5.277353600e-02 5.98 -5.084322439e-02 -5.084322439e-02 6.00 -4.893914279e-02 -4.893914279e-02