# 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 = AuPbPt2 # 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 4.444518800e+02 4.444518800e+02 1.30 4.155865381e+02 4.155865381e+02 1.32 3.886204967e+02 3.886204967e+02 1.34 3.634112701e+02 3.634112701e+02 1.36 3.398265926e+02 3.398265926e+02 1.38 3.177452364e+02 3.177452364e+02 1.40 2.970602528e+02 2.970602528e+02 1.42 2.776809459e+02 2.776809459e+02 1.44 2.595288028e+02 2.595288028e+02 1.46 2.425297385e+02 2.425297385e+02 1.48 2.266093513e+02 2.266093513e+02 1.50 2.116928435e+02 2.116928435e+02 1.52 1.977062934e+02 1.977062934e+02 1.54 1.845774736e+02 1.845774736e+02 1.56 1.722371188e+02 1.722371188e+02 1.58 1.606210184e+02 1.606210184e+02 1.60 1.496720243e+02 1.496720243e+02 1.62 1.393408494e+02 1.393408494e+02 1.64 1.295853679e+02 1.295853679e+02 1.66 1.203690005e+02 1.203690005e+02 1.68 1.116593366e+02 1.116593366e+02 1.70 1.034275279e+02 1.034275279e+02 1.72 9.564793785e+01 9.564793785e+01 1.74 8.829706456e+01 8.829706456e+01 1.76 8.135175218e+01 8.135175218e+01 1.78 7.479404978e+01 7.479404978e+01 1.80 6.864578878e+01 6.864578878e+01 1.82 6.296048575e+01 6.296048575e+01 1.84 5.770211531e+01 5.770211531e+01 1.86 5.283689453e+01 5.283689453e+01 1.88 4.833627983e+01 4.833627983e+01 1.90 4.417572944e+01 4.417572944e+01 1.92 4.033304906e+01 4.033304906e+01 1.94 3.678699317e+01 3.678699317e+01 1.96 3.351659865e+01 3.351659865e+01 1.98 3.050116914e+01 3.050116914e+01 2.00 2.772061904e+01 2.772061904e+01 2.02 2.515588435e+01 2.515588435e+01 2.04 2.278923628e+01 2.278923628e+01 2.06 2.060444605e+01 2.060444605e+01 2.08 1.858680692e+01 1.858680692e+01 2.10 1.672304279e+01 1.672304279e+01 2.12 1.500114552e+01 1.500114552e+01 2.14 1.341019792e+01 1.341019792e+01 2.16 1.194022074e+01 1.194022074e+01 2.18 1.058207067e+01 1.058207067e+01 2.20 9.327378611e+00 9.327378611e+00 2.22 8.168510864e+00 8.168510864e+00 2.24 7.098528716e+00 7.098528716e+00 2.26 6.111138208e+00 6.111138208e+00 2.28 5.200630304e+00 5.200630304e+00 2.30 4.361810355e+00 4.361810355e+00 2.32 3.589927495e+00 3.589927495e+00 2.34 2.880600508e+00 2.880600508e+00 2.36 2.229749279e+00 2.229749279e+00 2.38 1.633532295e+00 1.633532295e+00 2.40 1.088296488e+00 1.088296488e+00 2.42 5.905452248e-01 5.905452248e-01 2.44 1.369273226e-01 1.369273226e-01 2.46 -2.757524496e-01 -2.757524496e-01 2.48 -6.505121459e-01 -6.505121459e-01 2.50 -9.901753137e-01 -9.901753137e-01 2.52 -1.297370888e+00 -1.297370888e+00 2.54 -1.574553086e+00 -1.574553086e+00 2.56 -1.824289535e+00 -1.824289535e+00 2.58 -2.050944482e+00 -2.050944482e+00 2.60 -2.256468274e+00 -2.256468274e+00 2.62 -2.442158475e+00 -2.442158475e+00 2.64 -2.609287758e+00 -2.609287758e+00 2.66 -2.759062957e+00 -2.759062957e+00 2.68 -2.892601420e+00 -2.892601420e+00 2.70 -3.010918806e+00 -3.010918806e+00 2.72 -3.114929428e+00 -3.114929428e+00 2.74 -3.205454383e+00 -3.205454383e+00 2.76 -3.283233436e+00 -3.283233436e+00 2.78 -3.348937926e+00 -3.348937926e+00 2.80 -3.403184143e+00 -3.403184143e+00 2.82 -3.446546436e+00 -3.446546436e+00 2.84 -3.479572623e+00 -3.479572623e+00 2.86 -3.502807223e+00 -3.502807223e+00 2.88 -3.516853882e+00 -3.516853882e+00 2.90 -3.522268423e+00 -3.522268423e+00 2.92 -3.519643979e+00 -3.519643979e+00 2.94 -3.509647715e+00 -3.509647715e+00 2.96 -3.493020356e+00 -3.493020356e+00 2.98 -3.470560319e+00 -3.470560319e+00 3.00 -3.443092614e+00 -3.443092614e+00 3.02 -3.411427559e+00 -3.411427559e+00 3.04 -3.376317729e+00 -3.376317729e+00 3.06 -3.338424391e+00 -3.338424391e+00 3.08 -3.298291816e+00 -3.298291816e+00 3.10 -3.256347423e+00 -3.256347423e+00 3.12 -3.212912609e+00 -3.212912609e+00 3.14 -3.168224344e+00 -3.168224344e+00 3.16 -3.122450866e+00 -3.122450866e+00 3.18 -3.075715083e+00 -3.075715083e+00 3.20 -3.028109274e+00 -3.028109274e+00 3.22 -2.979706290e+00 -2.979706290e+00 3.24 -2.930566831e+00 -2.930566831e+00 3.26 -2.880744033e+00 -2.880744033e+00 3.28 -2.830286615e+00 -2.830286615e+00 3.30 -2.779241470e+00 -2.779241470e+00 3.32 -2.727656090e+00 -2.727656090e+00 3.34 -2.675580802e+00 -2.675580802e+00 3.36 -2.623070536e+00 -2.623070536e+00 3.38 -2.570185884e+00 -2.570185884e+00 3.40 -2.516993201e+00 -2.516993201e+00 3.42 -2.463591155e+00 -2.463591155e+00 3.44 -2.410147867e+00 -2.410147867e+00 3.46 -2.356818454e+00 -2.356818454e+00 3.48 -2.303741798e+00 -2.303741798e+00 3.50 -2.251041355e+00 -2.251041355e+00 3.52 -2.198825568e+00 -2.198825568e+00 3.54 -2.147188225e+00 -2.147188225e+00 3.56 -2.096208875e+00 -2.096208875e+00 3.58 -2.045953371e+00 -2.045953371e+00 3.60 -1.996474562e+00 -1.996474562e+00 3.62 -1.947812040e+00 -1.947812040e+00 3.64 -1.899989391e+00 -1.899989391e+00 3.66 -1.853019512e+00 -1.853019512e+00 3.68 -1.806907580e+00 -1.806907580e+00 3.70 -1.761651995e+00 -1.761651995e+00 3.72 -1.717245342e+00 -1.717245342e+00 3.74 -1.673675310e+00 -1.673675310e+00 3.76 -1.630925513e+00 -1.630925513e+00 3.78 -1.588976257e+00 -1.588976257e+00 3.80 -1.547805260e+00 -1.547805260e+00 3.82 -1.507388349e+00 -1.507388349e+00 3.84 -1.467700178e+00 -1.467700178e+00 3.86 -1.428714956e+00 -1.428714956e+00 3.88 -1.390407175e+00 -1.390407175e+00 3.90 -1.352752340e+00 -1.352752340e+00 3.92 -1.315727350e+00 -1.315727350e+00 3.94 -1.279312445e+00 -1.279312445e+00 3.96 -1.243489831e+00 -1.243489831e+00 3.98 -1.208245747e+00 -1.208245747e+00 4.00 -1.173570744e+00 -1.173570744e+00 4.02 -1.139460371e+00 -1.139460371e+00 4.04 -1.105915839e+00 -1.105915839e+00 4.06 -1.072944599e+00 -1.072944599e+00 4.08 -1.040560724e+00 -1.040560724e+00 4.10 -1.008784265e+00 -1.008784265e+00 4.12 -9.776436670e-01 -9.776436670e-01 4.14 -9.471701902e-01 -9.471701902e-01 4.16 -9.173994141e-01 -9.173994141e-01 4.18 -8.883680938e-01 -8.883680938e-01 4.20 -8.601114477e-01 -8.601114477e-01 4.22 -8.326602915e-01 -8.326602915e-01 4.24 -8.060383417e-01 -8.060383417e-01 4.26 -7.802599998e-01 -7.802599998e-01 4.28 -7.553288526e-01 -7.553288526e-01 4.30 -7.312369986e-01 -7.312369986e-01 4.32 -7.079651772e-01 -7.079651772e-01 4.34 -6.854835652e-01 -6.854835652e-01 4.36 -6.637530405e-01 -6.637530405e-01 4.38 -6.427267021e-01 -6.427267021e-01 4.40 -6.223514632e-01 -6.223514632e-01 4.42 -6.025695865e-01 -6.025695865e-01 4.44 -5.833200889e-01 -5.833200889e-01 4.46 -5.645399856e-01 -5.645399856e-01 4.48 -5.461653834e-01 -5.461653834e-01 4.50 -5.281324491e-01 -5.281324491e-01 4.52 -5.103782966e-01 -5.103782966e-01 4.54 -4.928418391e-01 -4.928418391e-01 4.56 -4.754646573e-01 -4.754646573e-01 4.58 -4.581919346e-01 -4.581919346e-01 4.60 -4.409735013e-01 -4.409735013e-01 4.62 -4.237650222e-01 -4.237650222e-01 4.64 -4.065293393e-01 -4.065293393e-01 4.66 -3.892379567e-01 -3.892379567e-01 4.68 -3.718726201e-01 -3.718726201e-01 4.70 -3.544269026e-01 -3.544269026e-01 4.72 -3.369076678e-01 -3.369076678e-01 4.74 -3.193362438e-01 -3.193362438e-01 4.76 -3.017491163e-01 -3.017491163e-01 4.78 -2.841979493e-01 -2.841979493e-01 4.80 -2.667480509e-01 -2.667480509e-01 4.82 -2.494795664e-01 -2.494795664e-01 4.84 -2.324801310e-01 -2.324801310e-01 4.86 -2.158445015e-01 -2.158445015e-01 4.88 -1.996694963e-01 -1.996694963e-01 4.90 -1.840494660e-01 -1.840494660e-01 4.92 -1.690718365e-01 -1.690718365e-01 4.94 -1.548131159e-01 -1.548131159e-01 4.96 -1.413357002e-01 -1.413357002e-01 4.98 -1.286857170e-01 -1.286857170e-01 5.00 -1.168920120e-01 -1.168920120e-01 5.02 -1.059662525e-01 -1.059662525e-01 5.04 -9.590400757e-02 -9.590400757e-02 5.06 -8.668658710e-02 -8.668658710e-02 5.08 -7.828338270e-02 -7.828338270e-02 5.10 -7.065445689e-02 -7.065445689e-02 5.12 -6.375315537e-02 -6.375315537e-02 5.14 -5.752855716e-02 -5.752855716e-02 5.16 -5.192766212e-02 -5.192766212e-02 5.18 -4.689722606e-02 -4.689722606e-02 5.20 -4.238520861e-02 -4.238520861e-02 5.22 -3.834185601e-02 -3.834185601e-02 5.24 -3.472044769e-02 -3.472044769e-02 5.26 -3.147757393e-02 -3.147757393e-02 5.28 -2.857311621e-02 -2.857311621e-02 5.30 -2.597173440e-02 -2.597173440e-02 5.32 -2.364150943e-02 -2.364150943e-02 5.34 -2.155368401e-02 -2.155368401e-02 5.36 -1.968247472e-02 -1.968247472e-02 5.38 -1.800477547e-02 -1.800477547e-02 5.40 -1.649983721e-02 -1.649983721e-02 5.42 -1.514934362e-02 -1.514934362e-02 5.44 -1.393688332e-02 -1.393688332e-02 5.46 -1.284770919e-02 -1.284770919e-02 5.48 -1.186855514e-02 -1.186855514e-02 5.50 -1.098747755e-02 -1.098747755e-02 5.52 -1.019371966e-02 -1.019371966e-02 5.54 -9.477595492e-03 -9.477595492e-03 5.56 -8.830389745e-03 -8.830389745e-03 5.58 -8.244270230e-03 -8.244270230e-03 5.60 -7.712209882e-03 -7.712209882e-03 5.62 -7.227915230e-03 -7.227915230e-03 5.64 -6.785763589e-03 -6.785763589e-03 5.66 -6.380742931e-03 -6.380742931e-03 5.68 -6.008395633e-03 -6.008395633e-03 5.70 -5.664766881e-03 -5.664766881e-03 5.72 -5.346356935e-03 -5.346356935e-03 5.74 -5.050077259e-03 -5.050077259e-03 5.76 -4.773210486e-03 -4.773210486e-03 5.78 -4.513374197e-03 -4.513374197e-03 5.80 -4.268488412e-03 -4.268488412e-03 5.82 -4.036746623e-03 -4.036746623e-03 5.84 -3.816590141e-03 -3.816590141e-03 5.86 -3.606685425e-03 -3.606685425e-03 5.88 -3.405904024e-03 -3.405904024e-03 5.90 -3.213304688e-03 -3.213304688e-03 5.92 -3.028117174e-03 -3.028117174e-03 5.94 -2.849766002e-03 -2.849766002e-03 5.96 -2.678041895e-03 -2.678041895e-03 5.98 -2.512586961e-03 -2.512586961e-03 6.00 -2.353096872e-03 -2.353096872e-03