# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuNi2 # 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 2022-05-24 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 2.831169239e+02 2.831169239e+02 1.00 2.641992115e+02 2.641992115e+02 1.02 2.465598330e+02 2.465598330e+02 1.04 2.300754423e+02 2.300754423e+02 1.06 2.146403384e+02 2.146403384e+02 1.08 2.001712786e+02 2.001712786e+02 1.10 1.865875633e+02 1.865875633e+02 1.12 1.738275279e+02 1.738275279e+02 1.14 1.618331653e+02 1.618331653e+02 1.16 1.505627119e+02 1.505627119e+02 1.18 1.399699552e+02 1.399699552e+02 1.20 1.300216795e+02 1.300216795e+02 1.22 1.206783139e+02 1.206783139e+02 1.24 1.119135165e+02 1.119135165e+02 1.26 1.036944927e+02 1.036944927e+02 1.28 9.599064609e+01 9.599064609e+01 1.30 8.877705646e+01 8.877705646e+01 1.32 8.202635495e+01 8.202635495e+01 1.34 7.571450912e+01 7.571450912e+01 1.36 6.982008763e+01 6.982008763e+01 1.38 6.431974854e+01 6.431974854e+01 1.40 5.919045561e+01 5.919045561e+01 1.42 5.441017234e+01 5.441017234e+01 1.44 4.996115590e+01 4.996115590e+01 1.46 4.582338497e+01 4.582338497e+01 1.48 4.197912305e+01 4.197912305e+01 1.50 3.841281868e+01 3.841281868e+01 1.52 3.510799620e+01 3.510799620e+01 1.54 3.204787705e+01 3.204787705e+01 1.56 2.921781272e+01 2.921781272e+01 1.58 2.660311511e+01 2.660311511e+01 1.60 2.418985276e+01 2.418985276e+01 1.62 2.196232657e+01 2.196232657e+01 1.64 1.991065797e+01 1.991065797e+01 1.66 1.802217760e+01 1.802217760e+01 1.68 1.628606608e+01 1.628606608e+01 1.70 1.469261767e+01 1.469261767e+01 1.72 1.323031298e+01 1.323031298e+01 1.74 1.189207319e+01 1.189207319e+01 1.76 1.066844651e+01 1.066844651e+01 1.78 9.534914990e+00 9.534914990e+00 1.80 8.499520756e+00 8.499520756e+00 1.82 7.523228207e+00 7.523228207e+00 1.84 6.641669202e+00 6.641669202e+00 1.86 5.812054615e+00 5.812054615e+00 1.88 5.030692250e+00 5.030692250e+00 1.90 4.297801965e+00 4.297801965e+00 1.92 3.610242008e+00 3.610242008e+00 1.94 2.965738000e+00 2.965738000e+00 1.96 2.363924764e+00 2.363924764e+00 1.98 1.801928081e+00 1.801928081e+00 2.00 1.278432395e+00 1.278432395e+00 2.02 7.919673197e-01 7.919673197e-01 2.04 3.406725983e-01 3.406725983e-01 2.06 -7.725076803e-02 -7.725076803e-02 2.08 -4.635651485e-01 -4.635651485e-01 2.10 -8.199731700e-01 -8.199731700e-01 2.12 -1.146971655e+00 -1.146971655e+00 2.14 -1.447317582e+00 -1.447317582e+00 2.16 -1.722685002e+00 -1.722685002e+00 2.18 -1.974317375e+00 -1.974317375e+00 2.20 -2.203501438e+00 -2.203501438e+00 2.22 -2.411609320e+00 -2.411609320e+00 2.24 -2.599829362e+00 -2.599829362e+00 2.26 -2.768961531e+00 -2.768961531e+00 2.28 -2.920113132e+00 -2.920113132e+00 2.30 -3.054857401e+00 -3.054857401e+00 2.32 -3.174174001e+00 -3.174174001e+00 2.34 -3.279027526e+00 -3.279027526e+00 2.36 -3.370242985e+00 -3.370242985e+00 2.38 -3.448520588e+00 -3.448520588e+00 2.40 -3.515091056e+00 -3.515091056e+00 2.42 -3.571112681e+00 -3.571112681e+00 2.44 -3.616922996e+00 -3.616922996e+00 2.46 -3.653227260e+00 -3.653227260e+00 2.48 -3.680530139e+00 -3.680530139e+00 2.50 -3.699699633e+00 -3.699699633e+00 2.52 -3.711949783e+00 -3.711949783e+00 2.54 -3.717466557e+00 -3.717466557e+00 2.56 -3.716442618e+00 -3.716442618e+00 2.58 -3.709374061e+00 -3.709374061e+00 2.60 -3.697346265e+00 -3.697346265e+00 2.62 -3.680315029e+00 -3.680315029e+00 2.64 -3.658571454e+00 -3.658571454e+00 2.66 -3.632522572e+00 -3.632522572e+00 2.68 -3.602550465e+00 -3.602550465e+00 2.70 -3.569013600e+00 -3.569013600e+00 2.72 -3.532248030e+00 -3.532248030e+00 2.74 -3.492600292e+00 -3.492600292e+00 2.76 -3.449454982e+00 -3.449454982e+00 2.78 -3.403813211e+00 -3.403813211e+00 2.80 -3.355474675e+00 -3.355474675e+00 2.82 -3.305161822e+00 -3.305161822e+00 2.84 -3.253322438e+00 -3.253322438e+00 2.86 -3.200160599e+00 -3.200160599e+00 2.88 -3.145862954e+00 -3.145862954e+00 2.90 -3.090611321e+00 -3.090611321e+00 2.92 -3.034646290e+00 -3.034646290e+00 2.94 -2.978042667e+00 -2.978042667e+00 2.96 -2.921529292e+00 -2.921529292e+00 2.98 -2.864595500e+00 -2.864595500e+00 3.00 -2.807367899e+00 -2.807367899e+00 3.02 -2.749921816e+00 -2.749921816e+00 3.04 -2.692528637e+00 -2.692528637e+00 3.06 -2.635422180e+00 -2.635422180e+00 3.08 -2.578408437e+00 -2.578408437e+00 3.10 -2.521574112e+00 -2.521574112e+00 3.12 -2.464994576e+00 -2.464994576e+00 3.14 -2.408738796e+00 -2.408738796e+00 3.16 -2.352869735e+00 -2.352869735e+00 3.18 -2.297444745e+00 -2.297444745e+00 3.20 -2.242515939e+00 -2.242515939e+00 3.22 -2.188130426e+00 -2.188130426e+00 3.24 -2.134330384e+00 -2.134330384e+00 3.26 -2.081153544e+00 -2.081153544e+00 3.28 -2.028646035e+00 -2.028646035e+00 3.30 -1.976803101e+00 -1.976803101e+00 3.32 -1.925617432e+00 -1.925617432e+00 3.34 -1.875032882e+00 -1.875032882e+00 3.36 -1.825091049e+00 -1.825091049e+00 3.38 -1.775999649e+00 -1.775999649e+00 3.40 -1.727681053e+00 -1.727681053e+00 3.42 -1.679960285e+00 -1.679960285e+00 3.44 -1.632889118e+00 -1.632889118e+00 3.46 -1.586675334e+00 -1.586675334e+00 3.48 -1.541329875e+00 -1.541329875e+00 3.50 -1.496830341e+00 -1.496830341e+00 3.52 -1.453183186e+00 -1.453183186e+00 3.54 -1.410386870e+00 -1.410386870e+00 3.56 -1.368441011e+00 -1.368441011e+00 3.58 -1.327346861e+00 -1.327346861e+00 3.60 -1.287101327e+00 -1.287101327e+00 3.62 -1.247691903e+00 -1.247691903e+00 3.64 -1.209110973e+00 -1.209110973e+00 3.66 -1.171362330e+00 -1.171362330e+00 3.68 -1.134424247e+00 -1.134424247e+00 3.70 -1.098275163e+00 -1.098275163e+00 3.72 -1.062923277e+00 -1.062923277e+00 3.74 -1.028382579e+00 -1.028382579e+00 3.76 -9.946428260e-01 -9.946428260e-01 3.78 -9.615041101e-01 -9.615041101e-01 3.80 -9.290346695e-01 -9.290346695e-01 3.82 -8.973558090e-01 -8.973558090e-01 3.84 -8.665591536e-01 -8.665591536e-01 3.86 -8.367058790e-01 -8.367058790e-01 3.88 -8.076808494e-01 -8.076808494e-01 3.90 -7.796200038e-01 -7.796200038e-01 3.92 -7.525964224e-01 -7.525964224e-01 3.94 -7.263790518e-01 -7.263790518e-01 3.96 -7.007982109e-01 -7.007982109e-01 3.98 -6.757373036e-01 -6.757373036e-01 4.00 -6.511244225e-01 -6.511244225e-01 4.02 -6.270629204e-01 -6.270629204e-01 4.04 -6.033861360e-01 -6.033861360e-01 4.06 -5.798473485e-01 -5.798473485e-01 4.08 -5.562829234e-01 -5.562829234e-01 4.10 -5.325724708e-01 -5.325724708e-01 4.12 -5.086308620e-01 -5.086308620e-01 4.14 -4.845634210e-01 -4.845634210e-01 4.16 -4.606222763e-01 -4.606222763e-01 4.18 -4.377403935e-01 -4.377403935e-01 4.20 -4.150793731e-01 -4.150793731e-01 4.22 -3.927374981e-01 -3.927374981e-01 4.24 -3.707554749e-01 -3.707554749e-01 4.26 -3.491372685e-01 -3.491372685e-01 4.28 -3.279670437e-01 -3.279670437e-01 4.30 -3.082908621e-01 -3.082908621e-01 4.32 -2.896340382e-01 -2.896340382e-01 4.34 -2.716329553e-01 -2.716329553e-01 4.36 -2.543311662e-01 -2.543311662e-01 4.38 -2.377491925e-01 -2.377491925e-01 4.40 -2.218961975e-01 -2.218961975e-01 4.42 -2.067722741e-01 -2.067722741e-01 4.44 -1.923703274e-01 -1.923703274e-01 4.46 -1.786776443e-01 -1.786776443e-01 4.48 -1.656772018e-01 -1.656772018e-01 4.50 -1.533487371e-01 -1.533487371e-01 4.52 -1.416696302e-01 -1.416696302e-01 4.54 -1.306156269e-01 -1.306156269e-01 4.56 -1.201614337e-01 -1.201614337e-01 4.58 -1.102811901e-01 -1.102811901e-01 4.60 -1.009488482e-01 -1.009488482e-01 4.62 -9.213847817e-02 -9.213847817e-02 4.64 -8.382450650e-02 -8.382450650e-02 4.66 -7.598189978e-02 -7.598189978e-02 4.68 -6.858630200e-02 -6.858630200e-02 4.70 -6.161413994e-02 -6.161413994e-02 4.72 -5.504269295e-02 -5.504269295e-02 4.74 -4.885014137e-02 -4.885014137e-02 4.76 -4.301559681e-02 -4.301559681e-02 4.78 -3.752523172e-02 -3.752523172e-02 4.80 -3.236382335e-02 -3.236382335e-02 4.82 -2.902920768e-02 -2.902920768e-02 4.84 -2.592732542e-02 -2.592732542e-02 4.86 -2.300268434e-02 -2.300268434e-02 4.88 -2.024551524e-02 -2.024551524e-02 4.90 -1.764642315e-02 -1.764642315e-02 4.92 -1.519609378e-02 -1.519609378e-02 4.94 -1.283843998e-02 -1.283843998e-02 4.96 -1.130237297e-02 -1.130237297e-02 4.98 -1.052453539e-02 -1.052453539e-02 5.00 -9.749739739e-03 -9.749739739e-03 5.02 -9.021878502e-03 -9.021878502e-03 5.04 -8.338485056e-03 -8.338485056e-03 5.06 -7.696897864e-03 -7.696897864e-03 5.08 -7.094611772e-03 -7.094611772e-03 5.10 -6.529268983e-03 -6.529268983e-03 5.12 -5.998650597e-03 -5.998650597e-03 5.14 -5.500668519e-03 -5.500668519e-03 5.16 -5.033357828e-03 -5.033357828e-03 5.18 -4.594869620e-03 -4.594869620e-03 5.20 -4.183464279e-03 -4.183464279e-03 5.22 -3.797505152e-03 -3.797505152e-03 5.24 -3.435452502e-03 -3.435452502e-03 5.26 -3.095857841e-03 -3.095857841e-03 5.28 -2.777358617e-03 -2.777358617e-03 5.30 -2.478673224e-03 -2.478673224e-03 5.32 -2.198596281e-03 -2.198596281e-03 5.34 -1.935994140e-03 -1.935994140e-03 5.36 -1.689800693e-03 -1.689800693e-03 5.38 -1.459013430e-03 -1.459013430e-03 5.40 -1.242689746e-03 -1.242689746e-03 5.42 -1.039943407e-03 -1.039943407e-03 5.44 -8.499412344e-04 -8.499412344e-04 5.46 -6.718999979e-04 -6.718999979e-04 5.48 -5.050834924e-04 -5.050834924e-04 5.50 -3.487997909e-04 -3.487997909e-04 5.52 -2.023986160e-04 -2.023986160e-04 5.54 -6.439162742e-05 -6.439162742e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00