# 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 = Au2Co # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.389338532e+02 1.16 3.122730263e+02 1.18 2.877651577e+02 1.20 2.652201987e+02 1.22 2.444667668e+02 1.24 2.253485885e+02 1.26 2.077226102e+02 1.28 1.914590548e+02 1.30 1.764416406e+02 1.32 1.625665126e+02 1.34 1.497400216e+02 1.36 1.378766094e+02 1.38 1.268978385e+02 1.40 1.167321767e+02 1.42 1.073148101e+02 1.44 9.858736086e+01 1.46 9.049726214e+01 1.48 8.299648580e+01 1.50 7.604019205e+01 1.52 6.958620263e+01 1.54 6.359521766e+01 1.56 5.803102513e+01 1.58 5.287565545e+01 1.60 4.812632024e+01 1.62 4.375110661e+01 1.64 3.972100057e+01 1.66 3.600877696e+01 1.68 3.258946574e+01 1.70 2.944015909e+01 1.72 2.653982628e+01 1.74 2.386922982e+01 1.76 2.141081177e+01 1.78 1.914849400e+01 1.80 1.706744632e+01 1.82 1.515390718e+01 1.84 1.339510234e+01 1.86 1.177924379e+01 1.88 1.029554769e+01 1.90 8.934209353e+00 1.92 7.686304669e+00 1.94 6.543625736e+00 1.96 5.498492811e+00 1.98 4.543603967e+00 2.00 3.671971544e+00 2.02 2.876950807e+00 2.04 2.152318519e+00 2.06 1.492341819e+00 2.08 8.917992526e-01 2.10 3.459524493e-01 2.12 -1.495100839e-01 2.14 -5.985333124e-01 2.16 -1.004745042e+00 2.18 -1.371489197e+00 2.20 -1.701845721e+00 2.22 -1.998643957e+00 2.24 -2.264476005e+00 2.26 -2.501713266e+00 2.28 -2.712525998e+00 2.30 -2.898904114e+00 2.32 -3.062677352e+00 2.34 -3.205533619e+00 2.36 -3.329035213e+00 2.38 -3.434633194e+00 2.40 -3.523680472e+00 2.42 -3.597448161e+00 2.44 -3.657225884e+00 2.46 -3.704334713e+00 2.48 -3.739559825e+00 2.50 -3.763632196e+00 2.52 -3.777333995e+00 2.54 -3.781490259e+00 2.56 -3.776960514e+00 2.58 -3.764622077e+00 2.60 -3.745269734e+00 2.62 -3.719624039e+00 2.64 -3.688386991e+00 2.66 -3.652209981e+00 2.68 -3.611668998e+00 2.70 -3.567255221e+00 2.72 -3.519379889e+00 2.74 -3.468388053e+00 2.76 -3.414574988e+00 2.78 -3.358200773e+00 2.80 -3.299501043e+00 2.82 -3.238693874e+00 2.84 -3.175983890e+00 2.86 -3.111564957e+00 2.88 -3.045622806e+00 2.90 -2.978338618e+00 2.92 -2.909894196e+00 2.94 -2.840478842e+00 2.96 -2.770297357e+00 2.98 -2.699577766e+00 3.00 -2.628576582e+00 3.02 -2.557579093e+00 3.04 -2.486892628e+00 3.06 -2.416832436e+00 3.08 -2.347702069e+00 3.10 -2.279772360e+00 3.12 -2.213263816e+00 3.14 -2.148336215e+00 3.16 -2.085086901e+00 3.18 -2.023556752e+00 3.20 -1.963741176e+00 3.22 -1.905603069e+00 3.24 -1.849085212e+00 3.26 -1.794120589e+00 3.28 -1.740640031e+00 3.30 -1.688577293e+00 3.32 -1.637872011e+00 3.34 -1.588471089e+00 3.36 -1.540329021e+00 3.38 -1.493407531e+00 3.40 -1.447674815e+00 3.42 -1.403104558e+00 3.44 -1.359674850e+00 3.46 -1.317367075e+00 3.48 -1.276164839e+00 3.50 -1.236052969e+00 3.52 -1.197016635e+00 3.54 -1.159040607e+00 3.56 -1.122108668e+00 3.58 -1.086203202e+00 3.60 -1.051304945e+00 3.62 -1.017392898e+00 3.64 -9.844444006e-01 3.66 -9.524353243e-01 3.68 -9.213403822e-01 3.70 -8.911335020e-01 3.72 -8.617882318e-01 3.74 -8.332781318e-01 3.76 -8.055771150e-01 3.78 -7.786597042e-01 3.80 -7.525011894e-01 3.82 -7.270776806e-01 3.84 -7.023660689e-01 3.86 -6.783439160e-01 3.88 -6.549892978e-01 3.90 -6.322806326e-01 3.92 -6.101965137e-01 3.94 -5.887155765e-01 3.96 -5.678164006e-01 3.98 -5.474774804e-01 4.00 -5.276772591e-01 4.02 -5.083942441e-01 4.04 -4.896072098e-01 4.06 -4.712954951e-01 4.08 -4.534393996e-01 4.10 -4.360206732e-01 4.12 -4.190230954e-01 4.14 -4.024331018e-01 4.16 -3.862404411e-01 4.18 -3.704387866e-01 4.20 -3.550262346e-01 4.22 -3.400056025e-01 4.24 -3.253844376e-01 4.26 -3.111746612e-01 4.28 -2.973918048e-01 4.30 -2.840538409e-01 4.32 -2.711796747e-01 4.34 -2.587874193e-01 4.36 -2.468926268e-01 4.38 -2.355066660e-01 4.40 -2.246354242e-01 4.42 -2.142784629e-01 4.44 -2.044286919e-01 4.46 -1.950725493e-01 4.48 -1.861906113e-01 4.50 -1.777585149e-01 4.52 -1.697480577e-01 4.54 -1.621283500e-01 4.56 -1.548669154e-01 4.58 -1.479306734e-01 4.60 -1.412867663e-01 4.62 -1.349032255e-01 4.64 -1.287494915e-01 4.66 -1.227968156e-01 4.68 -1.170185765e-01 4.70 -1.113905482e-01 4.72 -1.058911470e-01 4.74 -1.005016822e-01 4.76 -9.520662219e-02 4.78 -8.999387803e-02 4.80 -8.485508990e-02 4.82 -7.978589967e-02 4.84 -7.478615163e-02 4.86 -6.986000111e-02 4.88 -6.501585766e-02 4.90 -6.026612411e-02 4.92 -5.562669641e-02 4.94 -5.111621432e-02 4.96 -4.675492708e-02 4.98 -4.256363318e-02 5.00 -3.856293786e-02 5.02 -3.477160907e-02 5.04 -3.120549335e-02 5.06 -2.787667865e-02 5.08 -2.479295475e-02 5.10 -2.195759673e-02 5.12 -1.936945669e-02 5.14 -1.702331871e-02 5.16 -1.491044979e-02 5.18 -1.301927048e-02 5.20 -1.133605887e-02 5.22 -9.845501315e-03 5.24 -8.531772461e-03 5.26 -7.378863676e-03 5.28 -6.370953111e-03 5.30 -5.492777567e-03 5.32 -4.729900161e-03 5.34 -4.068886376e-03 5.36 -3.497403643e-03 5.38 -3.004260113e-03 5.40 -2.579397291e-03 5.42 -2.213849490e-03 5.44 -1.899680951e-03 5.46 -1.629909337e-03 5.48 -1.398422306e-03 5.50 -1.199892158e-03 5.52 -1.029692079e-03 5.54 -8.838163528e-04 5.56 -7.588060091e-04 5.58 -6.516807077e-04 5.60 -5.598771648e-04 5.62 -4.811940868e-04 5.64 -4.137433525e-04 5.66 -3.559070413e-04 5.68 -3.062998316e-04 5.70 -2.637362561e-04 5.72 -2.272023042e-04 5.74 -1.958308753e-04 5.76 -1.688806204e-04 5.78 -1.457177471e-04 5.80 -1.258004020e-04 5.82 -1.086652860e-04 5.84 -9.391619843e-05 5.86 -8.121424166e-05 5.88 -7.026945179e-05 5.90 -6.083365252e-05 5.92 -5.269435604e-05 5.94 -4.566955893e-05 5.96 -3.960330284e-05 5.98 -3.436188761e-05 6.00 -2.983064112e-05