# 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 = Mo2PbPt # 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 4.127991855e+02 4.127991855e+02 1.30 3.853270473e+02 3.853270473e+02 1.32 3.596897787e+02 3.596897787e+02 1.34 3.357498883e+02 3.357498883e+02 1.36 3.133964084e+02 3.133964084e+02 1.38 2.925345773e+02 2.925345773e+02 1.40 2.730752416e+02 2.730752416e+02 1.42 2.549279956e+02 2.549279956e+02 1.44 2.379993154e+02 2.379993154e+02 1.46 2.221951018e+02 2.221951018e+02 1.48 2.074252876e+02 2.074252876e+02 1.50 1.936073562e+02 1.936073562e+02 1.52 1.806671312e+02 1.806671312e+02 1.54 1.685377439e+02 1.685377439e+02 1.56 1.571582516e+02 1.571582516e+02 1.58 1.464726264e+02 1.464726264e+02 1.60 1.364288944e+02 1.364288944e+02 1.62 1.269784029e+02 1.269784029e+02 1.64 1.180754784e+02 1.180754784e+02 1.66 1.096778286e+02 1.096778286e+02 1.68 1.017475842e+02 1.017475842e+02 1.70 9.425246177e+01 9.425246177e+01 1.72 8.716650084e+01 8.716650084e+01 1.74 8.046990002e+01 8.046990002e+01 1.76 7.414794352e+01 7.414794352e+01 1.78 6.818939492e+01 6.818939492e+01 1.80 6.258598365e+01 6.258598365e+01 1.82 5.733301491e+01 5.733301491e+01 1.84 5.247036617e+01 5.247036617e+01 1.86 4.800510208e+01 4.800510208e+01 1.88 4.390784079e+01 4.390784079e+01 1.90 4.014854179e+01 4.014854179e+01 1.92 3.669748638e+01 3.669748638e+01 1.94 3.352615296e+01 3.352615296e+01 1.96 3.060792507e+01 3.060792507e+01 1.98 2.791859087e+01 2.791859087e+01 2.00 2.543656172e+01 2.543656172e+01 2.02 2.314281038e+01 2.314281038e+01 2.04 2.102060471e+01 2.102060471e+01 2.06 1.905515543e+01 1.905515543e+01 2.08 1.723327877e+01 1.723327877e+01 2.10 1.554311338e+01 1.554311338e+01 2.12 1.397392456e+01 1.397392456e+01 2.14 1.251597379e+01 1.251597379e+01 2.16 1.116044886e+01 1.116044886e+01 2.18 9.899427586e+00 9.899427586e+00 2.20 8.725841916e+00 8.725841916e+00 2.22 7.633425211e+00 7.633425211e+00 2.24 6.616631838e+00 6.616631838e+00 2.26 5.670538191e+00 5.670538191e+00 2.28 4.790740032e+00 4.790740032e+00 2.30 3.973253093e+00 3.973253093e+00 2.32 3.214426692e+00 3.214426692e+00 2.34 2.510878993e+00 2.510878993e+00 2.36 1.859439298e+00 1.859439298e+00 2.38 1.257109326e+00 1.257109326e+00 2.40 7.010349115e-01 7.010349115e-01 2.42 1.884860030e-01 1.884860030e-01 2.44 -2.831606199e-01 -2.831606199e-01 2.46 -7.164366850e-01 -7.164366850e-01 2.48 -1.113797118e+00 -1.113797118e+00 2.50 -1.477629127e+00 -1.477629127e+00 2.52 -1.810249124e+00 -1.810249124e+00 2.54 -2.113882161e+00 -2.113882161e+00 2.56 -2.390624593e+00 -2.390624593e+00 2.58 -2.642399378e+00 -2.642399378e+00 2.60 -2.870891704e+00 -2.870891704e+00 2.62 -3.077479514e+00 -3.077479514e+00 2.64 -3.264602970e+00 -3.264602970e+00 2.66 -3.433541637e+00 -3.433541637e+00 2.68 -3.585166053e+00 -3.585166053e+00 2.70 -3.720273998e+00 -3.720273998e+00 2.72 -3.839629777e+00 -3.839629777e+00 2.74 -3.943990416e+00 -3.943990416e+00 2.76 -4.034119706e+00 -4.034119706e+00 2.78 -4.110680021e+00 -4.110680021e+00 2.80 -4.174011494e+00 -4.174011494e+00 2.82 -4.224450950e+00 -4.224450950e+00 2.84 -4.262399337e+00 -4.262399337e+00 2.86 -4.288318525e+00 -4.288318525e+00 2.88 -4.302734737e+00 -4.302734737e+00 2.90 -4.306246113e+00 -4.306246113e+00 2.92 -4.299530570e+00 -4.299530570e+00 2.94 -4.283349197e+00 -4.283349197e+00 2.96 -4.258540526e+00 -4.258540526e+00 2.98 -4.226002542e+00 -4.226002542e+00 3.00 -4.186662247e+00 -4.186662247e+00 3.02 -4.141436263e+00 -4.141436263e+00 3.04 -4.091188167e+00 -4.091188167e+00 3.06 -4.036694318e+00 -4.036694318e+00 3.08 -3.978612971e+00 -3.978612971e+00 3.10 -3.917475294e+00 -3.917475294e+00 3.12 -3.853684895e+00 -3.853684895e+00 3.14 -3.787533019e+00 -3.787533019e+00 3.16 -3.719211487e+00 -3.719211487e+00 3.18 -3.648837388e+00 -3.648837388e+00 3.20 -3.576472615e+00 -3.576472615e+00 3.22 -3.502142566e+00 -3.502142566e+00 3.24 -3.425852707e+00 -3.425852707e+00 3.26 -3.347603464e+00 -3.347603464e+00 3.28 -3.267404163e+00 -3.267404163e+00 3.30 -3.185286419e+00 -3.185286419e+00 3.32 -3.101316884e+00 -3.101316884e+00 3.34 -3.015620266e+00 -3.015620266e+00 3.36 -2.928562184e+00 -2.928562184e+00 3.38 -2.840646151e+00 -2.840646151e+00 3.40 -2.752394807e+00 -2.752394807e+00 3.42 -2.664344608e+00 -2.664344608e+00 3.44 -2.577025446e+00 -2.577025446e+00 3.46 -2.490901800e+00 -2.490901800e+00 3.48 -2.406373943e+00 -2.406373943e+00 3.50 -2.323805396e+00 -2.323805396e+00 3.52 -2.243510500e+00 -2.243510500e+00 3.54 -2.165744637e+00 -2.165744637e+00 3.56 -2.090699000e+00 -2.090699000e+00 3.58 -2.018499880e+00 -2.018499880e+00 3.60 -1.949211939e+00 -1.949211939e+00 3.62 -1.882844580e+00 -1.882844580e+00 3.64 -1.819360352e+00 -1.819360352e+00 3.66 -1.758684303e+00 -1.758684303e+00 3.68 -1.700713347e+00 -1.700713347e+00 3.70 -1.645324889e+00 -1.645324889e+00 3.72 -1.592384198e+00 -1.592384198e+00 3.74 -1.541750287e+00 -1.541750287e+00 3.76 -1.493280274e+00 -1.493280274e+00 3.78 -1.446832361e+00 -1.446832361e+00 3.80 -1.402267734e+00 -1.402267734e+00 3.82 -1.359451679e+00 -1.359451679e+00 3.84 -1.318254233e+00 -1.318254233e+00 3.86 -1.278550596e+00 -1.278550596e+00 3.88 -1.240221462e+00 -1.240221462e+00 3.90 -1.203153360e+00 -1.203153360e+00 3.92 -1.167238885e+00 -1.167238885e+00 3.94 -1.132377759e+00 -1.132377759e+00 3.96 -1.098476328e+00 -1.098476328e+00 3.98 -1.065448861e+00 -1.065448861e+00 4.00 -1.033218047e+00 -1.033218047e+00 4.02 -1.001715819e+00 -1.001715819e+00 4.04 -9.708842961e-01 -9.708842961e-01 4.06 -9.406767959e-01 -9.406767959e-01 4.08 -9.110588398e-01 -9.110588398e-01 4.10 -8.820076795e-01 -8.820076795e-01 4.12 -8.535182264e-01 -8.535182264e-01 4.14 -8.255943566e-01 -8.255943566e-01 4.16 -7.982540500e-01 -7.982540500e-01 4.18 -7.715259906e-01 -7.715259906e-01 4.20 -7.454468352e-01 -7.454468352e-01 4.22 -7.200576911e-01 -7.200576911e-01 4.24 -6.954000949e-01 -6.954000949e-01 4.26 -6.715119001e-01 -6.715119001e-01 4.28 -6.484235265e-01 -6.484235265e-01 4.30 -6.261549759e-01 -6.261549759e-01 4.32 -6.047138994e-01 -6.047138994e-01 4.34 -5.840948244e-01 -5.840948244e-01 4.36 -5.642794793e-01 -5.642794793e-01 4.38 -5.452380134e-01 -5.452380134e-01 4.40 -5.269308335e-01 -5.269308335e-01 4.42 -5.093107489e-01 -5.093107489e-01 4.44 -4.923251941e-01 -4.923251941e-01 4.46 -4.759183154e-01 -4.759183154e-01 4.48 -4.600327896e-01 -4.600327896e-01 4.50 -4.446113530e-01 -4.446113530e-01 4.52 -4.295980002e-01 -4.295980002e-01 4.54 -4.149382549e-01 -4.149382549e-01 4.56 -4.005820101e-01 -4.005820101e-01 4.58 -3.864830760e-01 -3.864830760e-01 4.60 -3.725994004e-01 -3.725994004e-01 4.62 -3.588938927e-01 -3.588938927e-01 4.64 -3.453352064e-01 -3.453352064e-01 4.66 -3.318985172e-01 -3.318985172e-01 4.68 -3.185662937e-01 -3.185662937e-01 4.70 -3.053290267e-01 -3.053290267e-01 4.72 -2.921858491e-01 -2.921858491e-01 4.74 -2.791449588e-01 -2.791449588e-01 4.76 -2.662237420e-01 -2.662237420e-01 4.78 -2.534484966e-01 -2.534484966e-01 4.80 -2.408528809e-01 -2.408528809e-01 4.82 -2.284799535e-01 -2.284799535e-01 4.84 -2.163752141e-01 -2.163752141e-01 4.86 -2.045880187e-01 -2.045880187e-01 4.88 -1.931681521e-01 -1.931681521e-01 4.90 -1.821632638e-01 -1.821632638e-01 4.92 -1.716164324e-01 -1.716164324e-01 4.94 -1.615640675e-01 -1.615640675e-01 4.96 -1.520343166e-01 -1.520343166e-01 4.98 -1.430460849e-01 -1.430460849e-01 5.00 -1.346086979e-01 -1.346086979e-01 5.02 -1.267221675e-01 -1.267221675e-01 5.04 -1.193779648e-01 -1.193779648e-01 5.06 -1.125601653e-01 -1.125601653e-01 5.08 -1.062468232e-01 -1.062468232e-01 5.10 -1.004114300e-01 -1.004114300e-01 5.12 -9.502434286e-02 -9.502434286e-02 5.14 -9.005409681e-02 -9.005409681e-02 5.16 -8.546854037e-02 -8.546854037e-02 5.18 -8.123576878e-02 -8.123576878e-02 5.20 -7.732484799e-02 -7.732484799e-02 5.22 -7.370634105e-02 -7.370634105e-02 5.24 -7.035265877e-02 -7.035265877e-02 5.26 -6.723830852e-02 -6.723830852e-02 5.28 -6.434015782e-02 -6.434015782e-02 5.30 -6.163685358e-02 -6.163685358e-02 5.32 -5.910904111e-02 -5.910904111e-02 5.34 -5.673931727e-02 -5.673931727e-02 5.36 -5.451208462e-02 -5.451208462e-02 5.38 -5.241339152e-02 -5.241339152e-02 5.40 -5.043076813e-02 -5.043076813e-02 5.42 -4.855306827e-02 -4.855306827e-02 5.44 -4.677031861e-02 -4.677031861e-02 5.46 -4.507358007e-02 -4.507358007e-02 5.48 -4.345482318e-02 -4.345482318e-02 5.50 -4.190681732e-02 -4.190681732e-02 5.52 -4.042303339e-02 -4.042303339e-02 5.54 -3.899755901e-02 -3.899755901e-02 5.56 -3.762502510e-02 -3.762502510e-02 5.58 -3.630054269e-02 -3.630054269e-02 5.60 -3.501964889e-02 -3.501964889e-02 5.62 -3.377826143e-02 -3.377826143e-02 5.64 -3.257263952e-02 -3.257263952e-02 5.66 -3.139935217e-02 -3.139935217e-02 5.68 -3.025525366e-02 -3.025525366e-02 5.70 -2.913746444e-02 -2.913746444e-02 5.72 -2.804335784e-02 -2.804335784e-02 5.74 -2.697055216e-02 -2.697055216e-02 5.76 -2.591690814e-02 -2.591690814e-02 5.78 -2.488053104e-02 -2.488053104e-02 5.80 -2.385977733e-02 -2.385977733e-02 5.82 -2.285326482e-02 -2.285326482e-02 5.84 -2.185988584e-02 -2.185988584e-02 5.86 -2.087882203e-02 -2.087882203e-02 5.88 -1.990955953e-02 -1.990955953e-02 5.90 -1.895190296e-02 -1.895190296e-02 5.92 -1.800598630e-02 -1.800598630e-02 5.94 -1.707226680e-02 -1.707226680e-02 5.96 -1.615145434e-02 -1.615145434e-02 5.98 -1.524467798e-02 -1.524467798e-02 6.00 -1.435339351e-02 -1.435339351e-02