# 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 = FeNiPb2 # 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 2.989032232e+02 2.989032232e+02 1.30 2.777256184e+02 2.777256184e+02 1.32 2.580906774e+02 2.580906774e+02 1.34 2.398789839e+02 2.398789839e+02 1.36 2.229796432e+02 2.229796432e+02 1.38 2.072887516e+02 2.072887516e+02 1.40 1.927098804e+02 1.927098804e+02 1.42 1.791552763e+02 1.791552763e+02 1.44 1.665461356e+02 1.665461356e+02 1.46 1.548117030e+02 1.548117030e+02 1.48 1.438879551e+02 1.438879551e+02 1.50 1.337164376e+02 1.337164376e+02 1.52 1.242432295e+02 1.242432295e+02 1.54 1.154180255e+02 1.154180255e+02 1.56 1.071934340e+02 1.071934340e+02 1.58 9.952477120e+01 9.952477120e+01 1.60 9.237024455e+01 9.237024455e+01 1.62 8.569137248e+01 8.569137248e+01 1.64 7.945331280e+01 7.945331280e+01 1.66 7.362497522e+01 7.362497522e+01 1.68 6.817962016e+01 6.817962016e+01 1.70 6.310559688e+01 6.310559688e+01 1.72 5.838352666e+01 5.838352666e+01 1.74 5.399095377e+01 5.399095377e+01 1.76 4.990644978e+01 4.990644978e+01 1.78 4.610937904e+01 4.610937904e+01 1.80 4.257987679e+01 4.257987679e+01 1.82 3.929897146e+01 3.929897146e+01 1.84 3.624874241e+01 3.624874241e+01 1.86 3.341245303e+01 3.341245303e+01 1.88 3.077460977e+01 3.077460977e+01 1.90 2.832091037e+01 2.832091037e+01 1.92 2.603811070e+01 2.603811070e+01 1.94 2.391391271e+01 2.391391271e+01 1.96 2.193685736e+01 2.193685736e+01 1.98 2.009626719e+01 2.009626719e+01 2.00 1.838221008e+01 1.838221008e+01 2.02 1.678548202e+01 1.678548202e+01 2.04 1.529760160e+01 1.529760160e+01 2.06 1.391081223e+01 1.391081223e+01 2.08 1.261808076e+01 1.261808076e+01 2.10 1.141306344e+01 1.141306344e+01 2.12 1.029004874e+01 1.029004874e+01 2.14 9.243860205e+00 9.243860205e+00 2.16 8.269751612e+00 8.269751612e+00 2.18 7.363309627e+00 7.363309627e+00 2.20 6.520374677e+00 6.520374677e+00 2.22 5.736994496e+00 5.736994496e+00 2.24 5.009404961e+00 5.009404961e+00 2.26 4.334033064e+00 4.334033064e+00 2.28 3.707510853e+00 3.707510853e+00 2.30 3.126682549e+00 3.126682549e+00 2.32 2.588593960e+00 2.588593960e+00 2.34 2.090481173e+00 2.090481173e+00 2.36 1.629734518e+00 1.629734518e+00 2.38 1.203875623e+00 1.203875623e+00 2.40 8.105446008e-01 8.105446008e-01 2.42 4.475018468e-01 4.475018468e-01 2.44 1.126395127e-01 1.126395127e-01 2.46 -1.960043652e-01 -1.960043652e-01 2.48 -4.802370577e-01 -4.802370577e-01 2.50 -7.417114603e-01 -7.417114603e-01 2.52 -9.819361633e-01 -9.819361633e-01 2.54 -1.202289072e+00 -1.202289072e+00 2.56 -1.404038380e+00 -1.404038380e+00 2.58 -1.588360479e+00 -1.588360479e+00 2.60 -1.756354562e+00 -1.756354562e+00 2.62 -1.909053587e+00 -1.909053587e+00 2.64 -2.047438298e+00 -2.047438298e+00 2.66 -2.172437965e+00 -2.172437965e+00 2.68 -2.284881649e+00 -2.284881649e+00 2.70 -2.385462742e+00 -2.385462742e+00 2.72 -2.474852772e+00 -2.474852772e+00 2.74 -2.553715276e+00 -2.553715276e+00 2.76 -2.622705580e+00 -2.622705580e+00 2.78 -2.682464774e+00 -2.682464774e+00 2.80 -2.733615057e+00 -2.733615057e+00 2.82 -2.776751621e+00 -2.776751621e+00 2.84 -2.812440904e+00 -2.812440904e+00 2.86 -2.841218786e+00 -2.841218786e+00 2.88 -2.863572395e+00 -2.863572395e+00 2.90 -2.879891198e+00 -2.879891198e+00 2.92 -2.890536051e+00 -2.890536051e+00 2.94 -2.895858536e+00 -2.895858536e+00 2.96 -2.896198884e+00 -2.896198884e+00 2.98 -2.891884262e+00 -2.891884262e+00 3.00 -2.883227701e+00 -2.883227701e+00 3.02 -2.870527777e+00 -2.870527777e+00 3.04 -2.854068252e+00 -2.854068252e+00 3.06 -2.834146528e+00 -2.834146528e+00 3.08 -2.811087384e+00 -2.811087384e+00 3.10 -2.785051316e+00 -2.785051316e+00 3.12 -2.756195105e+00 -2.756195105e+00 3.14 -2.724695802e+00 -2.724695802e+00 3.16 -2.690741925e+00 -2.690741925e+00 3.18 -2.654538148e+00 -2.654538148e+00 3.20 -2.616299365e+00 -2.616299365e+00 3.22 -2.576222719e+00 -2.576222719e+00 3.24 -2.534497387e+00 -2.534497387e+00 3.26 -2.491323737e+00 -2.491323737e+00 3.28 -2.446908993e+00 -2.446908993e+00 3.30 -2.401462966e+00 -2.401462966e+00 3.32 -2.355194102e+00 -2.355194102e+00 3.34 -2.308305651e+00 -2.308305651e+00 3.36 -2.260991783e+00 -2.260991783e+00 3.38 -2.213433726e+00 -2.213433726e+00 3.40 -2.165795782e+00 -2.165795782e+00 3.42 -2.118223946e+00 -2.118223946e+00 3.44 -2.070841374e+00 -2.070841374e+00 3.46 -2.023749339e+00 -2.023749339e+00 3.48 -1.977027182e+00 -1.977027182e+00 3.50 -1.930733854e+00 -1.930733854e+00 3.52 -1.884910383e+00 -1.884910383e+00 3.54 -1.839582954e+00 -1.839582954e+00 3.56 -1.794766353e+00 -1.794766353e+00 3.58 -1.750467496e+00 -1.750467496e+00 3.60 -1.706688831e+00 -1.706688831e+00 3.62 -1.663431454e+00 -1.663431454e+00 3.64 -1.620697777e+00 -1.620697777e+00 3.66 -1.578493658e+00 -1.578493658e+00 3.68 -1.536829902e+00 -1.536829902e+00 3.70 -1.495723065e+00 -1.495723065e+00 3.72 -1.455195580e+00 -1.455195580e+00 3.74 -1.415275236e+00 -1.415275236e+00 3.76 -1.375994150e+00 -1.375994150e+00 3.78 -1.337387414e+00 -1.337387414e+00 3.80 -1.299491608e+00 -1.299491608e+00 3.82 -1.262343337e+00 -1.262343337e+00 3.84 -1.225977883e+00 -1.225977883e+00 3.86 -1.190427954e+00 -1.190427954e+00 3.88 -1.155722512e+00 -1.155722512e+00 3.90 -1.121885610e+00 -1.121885610e+00 3.92 -1.088934431e+00 -1.088934431e+00 3.94 -1.056881876e+00 -1.056881876e+00 3.96 -1.025730257e+00 -1.025730257e+00 3.98 -9.954749527e-01 -9.954749527e-01 4.00 -9.661035644e-01 -9.661035644e-01 4.02 -9.375965819e-01 -9.375965819e-01 4.04 -9.099284258e-01 -9.099284258e-01 4.06 -8.830687110e-01 -8.830687110e-01 4.08 -8.569835740e-01 -8.569835740e-01 4.10 -8.316346946e-01 -8.316346946e-01 4.12 -8.069897384e-01 -8.069897384e-01 4.14 -7.830085606e-01 -7.830085606e-01 4.16 -7.596542294e-01 -7.596542294e-01 4.18 -7.368908422e-01 -7.368908422e-01 4.20 -7.146839618e-01 -7.146839618e-01 4.22 -6.930009944e-01 -6.930009944e-01 4.24 -6.718115587e-01 -6.718115587e-01 4.26 -6.510878860e-01 -6.510878860e-01 4.28 -6.308052728e-01 -6.308052728e-01 4.30 -6.109425938e-01 -6.109425938e-01 4.32 -5.914828563e-01 -5.914828563e-01 4.34 -5.724137586e-01 -5.724137586e-01 4.36 -5.537281897e-01 -5.537281897e-01 4.38 -5.354245884e-01 -5.354245884e-01 4.40 -5.175070705e-01 -5.175070705e-01 4.42 -4.999852359e-01 -4.999852359e-01 4.44 -4.828735885e-01 -4.828735885e-01 4.46 -4.661905431e-01 -4.661905431e-01 4.48 -4.499570501e-01 -4.499570501e-01 4.50 -4.341949324e-01 -4.341949324e-01 4.52 -4.189250846e-01 -4.189250846e-01 4.54 -4.041657193e-01 -4.041657193e-01 4.56 -3.899308462e-01 -3.899308462e-01 4.58 -3.762291408e-01 -3.762291408e-01 4.60 -3.630632960e-01 -3.630632960e-01 4.62 -3.504298821e-01 -3.504298821e-01 4.64 -3.383196683e-01 -3.383196683e-01 4.66 -3.267183087e-01 -3.267183087e-01 4.68 -3.156072668e-01 -3.156072668e-01 4.70 -3.049648526e-01 -3.049648526e-01 4.72 -2.947672577e-01 -2.947672577e-01 4.74 -2.849895069e-01 -2.849895069e-01 4.76 -2.756062719e-01 -2.756062719e-01 4.78 -2.665925228e-01 -2.665925228e-01 4.80 -2.579224630e-01 -2.579224630e-01 4.82 -2.495763279e-01 -2.495763279e-01 4.84 -2.415304931e-01 -2.415304931e-01 4.86 -2.337646258e-01 -2.337646258e-01 4.88 -2.262598716e-01 -2.262598716e-01 4.90 -2.189988362e-01 -2.189988362e-01 4.92 -2.119655351e-01 -2.119655351e-01 4.94 -2.051453301e-01 -2.051453301e-01 4.96 -1.985248608e-01 -1.985248608e-01 4.98 -1.920919815e-01 -1.920919815e-01 5.00 -1.858357094e-01 -1.858357094e-01 5.02 -1.797461865e-01 -1.797461865e-01 5.04 -1.738146573e-01 -1.738146573e-01 5.06 -1.680334609e-01 -1.680334609e-01 5.08 -1.623960322e-01 -1.623960322e-01 5.10 -1.568969093e-01 -1.568969093e-01 5.12 -1.515317405e-01 -1.515317405e-01 5.14 -1.462972821e-01 -1.462972821e-01 5.16 -1.411913793e-01 -1.411913793e-01 5.18 -1.362129213e-01 -1.362129213e-01 5.20 -1.313617622e-01 -1.313617622e-01 5.22 -1.266386052e-01 -1.266386052e-01 5.24 -1.220448448e-01 -1.220448448e-01 5.26 -1.175823049e-01 -1.175823049e-01 5.28 -1.132525953e-01 -1.132525953e-01 5.30 -1.090580041e-01 -1.090580041e-01 5.32 -1.050007342e-01 -1.050007342e-01 5.34 -1.010824788e-01 -1.010824788e-01 5.36 -9.730421173e-02 -9.730421173e-02 5.38 -9.366602356e-02 -9.366602356e-02 5.40 -9.016701275e-02 -9.016701275e-02 5.42 -8.680523712e-02 -8.680523712e-02 5.44 -8.357772391e-02 -8.357772391e-02 5.46 -8.048053200e-02 -8.048053200e-02 5.48 -7.750885619e-02 -7.750885619e-02 5.50 -7.465716120e-02 -7.465716120e-02 5.52 -7.191933247e-02 -7.191933247e-02 5.54 -6.928883230e-02 -6.928883230e-02 5.56 -6.675885138e-02 -6.675885138e-02 5.58 -6.432244854e-02 -6.432244854e-02 5.60 -6.197267433e-02 -6.197267433e-02 5.62 -5.970267615e-02 -5.970267615e-02 5.64 -5.750578483e-02 -5.750578483e-02 5.66 -5.537558425e-02 -5.537558425e-02 5.68 -5.330596607e-02 -5.330596607e-02 5.70 -5.129117275e-02 -5.129117275e-02 5.72 -4.932583179e-02 -4.932583179e-02 5.74 -4.740498415e-02 -4.740498415e-02 5.76 -4.552410931e-02 -4.552410931e-02 5.78 -4.367914917e-02 -4.367914917e-02 5.80 -4.186653206e-02 -4.186653206e-02 5.82 -4.008319769e-02 -4.008319769e-02 5.84 -3.832662304e-02 -3.832662304e-02 5.86 -3.659484841e-02 -3.659484841e-02 5.88 -3.488650227e-02 -3.488650227e-02 5.90 -3.320082278e-02 -3.320082278e-02 5.92 -3.153767317e-02 -3.153767317e-02 5.94 -2.989754814e-02 -2.989754814e-02 5.96 -2.828156797e-02 -2.828156797e-02 5.98 -2.669145601e-02 -2.669145601e-02 6.00 -2.512949922e-02 -2.512949922e-02