# 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 = AuTiW2 # 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 4.166462609e+02 4.166462609e+02 1.30 3.857269104e+02 3.857269104e+02 1.32 3.571476789e+02 3.571476789e+02 1.34 3.307066157e+02 3.307066157e+02 1.36 3.062235547e+02 3.062235547e+02 1.38 2.835392367e+02 2.835392367e+02 1.40 2.625127481e+02 2.625127481e+02 1.42 2.430174368e+02 2.430174368e+02 1.44 2.249370798e+02 2.249370798e+02 1.46 2.081637828e+02 2.081637828e+02 1.48 1.925975748e+02 1.925975748e+02 1.50 1.781467450e+02 1.781467450e+02 1.52 1.647279989e+02 1.647279989e+02 1.54 1.522659677e+02 1.522659677e+02 1.56 1.406921614e+02 1.406921614e+02 1.58 1.299437655e+02 1.299437655e+02 1.60 1.199625635e+02 1.199625635e+02 1.62 1.106940575e+02 1.106940575e+02 1.64 1.020868013e+02 1.020868013e+02 1.66 9.409197754e+01 9.409197754e+01 1.68 8.666325307e+01 8.666325307e+01 1.70 7.975692018e+01 7.975692018e+01 1.72 7.333229630e+01 7.333229630e+01 1.74 6.735227777e+01 6.735227777e+01 1.76 6.178381264e+01 6.178381264e+01 1.78 5.659801268e+01 5.659801268e+01 1.80 5.176978713e+01 5.176978713e+01 1.82 4.727710659e+01 4.727710659e+01 1.84 4.310011531e+01 4.310011531e+01 1.86 3.922030406e+01 3.922030406e+01 1.88 3.561988292e+01 3.561988292e+01 1.90 3.228182089e+01 3.228182089e+01 1.92 2.918988256e+01 2.918988256e+01 1.94 2.632924324e+01 2.632924324e+01 1.96 2.369225004e+01 2.369225004e+01 1.98 2.126266341e+01 2.126266341e+01 2.00 1.902411429e+01 1.902411429e+01 2.02 1.696139184e+01 1.696139184e+01 2.04 1.506035691e+01 1.506035691e+01 2.06 1.330781617e+01 1.330781617e+01 2.08 1.169141552e+01 1.169141552e+01 2.10 1.019958929e+01 1.019958929e+01 2.12 8.821572783e+00 8.821572783e+00 2.14 7.547459888e+00 7.547459888e+00 2.16 6.368275749e+00 6.368275749e+00 2.18 5.276029718e+00 5.276029718e+00 2.20 4.263719884e+00 4.263719884e+00 2.22 3.325274575e+00 3.325274575e+00 2.24 2.455435543e+00 2.455435543e+00 2.26 1.649603224e+00 1.649603224e+00 2.28 9.036743830e-01 9.036743830e-01 2.30 2.139027716e-01 2.139027716e-01 2.32 -4.231960750e-01 -4.231960750e-01 2.34 -1.010893159e+00 -1.010893159e+00 2.36 -1.552263332e+00 -1.552263332e+00 2.38 -2.050191384e+00 -2.050191384e+00 2.40 -2.507381177e+00 -2.507381177e+00 2.42 -2.926370479e+00 -2.926370479e+00 2.44 -3.309547130e+00 -3.309547130e+00 2.46 -3.659162060e+00 -3.659162060e+00 2.48 -3.977337006e+00 -3.977337006e+00 2.50 -4.266067572e+00 -4.266067572e+00 2.52 -4.527223538e+00 -4.527223538e+00 2.54 -4.762468578e+00 -4.762468578e+00 2.56 -4.973336672e+00 -4.973336672e+00 2.58 -5.161493153e+00 -5.161493153e+00 2.60 -5.328470732e+00 -5.328470732e+00 2.62 -5.475669939e+00 -5.475669939e+00 2.64 -5.604369702e+00 -5.604369702e+00 2.66 -5.715739019e+00 -5.715739019e+00 2.68 -5.810851825e+00 -5.810851825e+00 2.70 -5.890569418e+00 -5.890569418e+00 2.72 -5.955189445e+00 -5.955189445e+00 2.74 -6.004948649e+00 -6.004948649e+00 2.76 -6.040167024e+00 -6.040167024e+00 2.78 -6.061234584e+00 -6.061234584e+00 2.80 -6.068599575e+00 -6.068599575e+00 2.82 -6.062759202e+00 -6.062759202e+00 2.84 -6.044254861e+00 -6.044254861e+00 2.86 -6.013707846e+00 -6.013707846e+00 2.88 -5.971761789e+00 -5.971761789e+00 2.90 -5.919059453e+00 -5.919059453e+00 2.92 -5.856325128e+00 -5.856325128e+00 2.94 -5.784372056e+00 -5.784372056e+00 2.96 -5.704105040e+00 -5.704105040e+00 2.98 -5.616515106e+00 -5.616515106e+00 3.00 -5.522669817e+00 -5.522669817e+00 3.02 -5.423729762e+00 -5.423729762e+00 3.04 -5.320632339e+00 -5.320632339e+00 3.06 -5.214228823e+00 -5.214228823e+00 3.08 -5.105313030e+00 -5.105313030e+00 3.10 -4.994573334e+00 -4.994573334e+00 3.12 -4.882558778e+00 -4.882558778e+00 3.14 -4.769663363e+00 -4.769663363e+00 3.16 -4.656125132e+00 -4.656125132e+00 3.18 -4.542033849e+00 -4.542033849e+00 3.20 -4.427364703e+00 -4.427364703e+00 3.22 -4.312011239e+00 -4.312011239e+00 3.24 -4.195815760e+00 -4.195815760e+00 3.26 -4.078598701e+00 -4.078598701e+00 3.28 -3.960186006e+00 -3.960186006e+00 3.30 -3.840434181e+00 -3.840434181e+00 3.32 -3.719252951e+00 -3.719252951e+00 3.34 -3.596625280e+00 -3.596625280e+00 3.36 -3.472624185e+00 -3.472624185e+00 3.38 -3.347425394e+00 -3.347425394e+00 3.40 -3.221314595e+00 -3.221314595e+00 3.42 -3.094688098e+00 -3.094688098e+00 3.44 -2.968045713e+00 -2.968045713e+00 3.46 -2.841975760e+00 -2.841975760e+00 3.48 -2.717132452e+00 -2.717132452e+00 3.50 -2.594207138e+00 -2.594207138e+00 3.52 -2.473895627e+00 -2.473895627e+00 3.54 -2.356864398e+00 -2.356864398e+00 3.56 -2.243718727e+00 -2.243718727e+00 3.58 -2.134975587e+00 -2.134975587e+00 3.60 -2.031043659e+00 -2.031043659e+00 3.62 -1.932211926e+00 -1.932211926e+00 3.64 -1.838647253e+00 -1.838647253e+00 3.66 -1.750400251e+00 -1.750400251e+00 3.68 -1.667417782e+00 -1.667417782e+00 3.70 -1.589559896e+00 -1.589559896e+00 3.72 -1.516618874e+00 -1.516618874e+00 3.74 -1.448338308e+00 -1.448338308e+00 3.76 -1.384430694e+00 -1.384430694e+00 3.78 -1.324592563e+00 -1.324592563e+00 3.80 -1.268516734e+00 -1.268516734e+00 3.82 -1.215901678e+00 -1.215901678e+00 3.84 -1.166458216e+00 -1.166458216e+00 3.86 -1.119913949e+00 -1.119913949e+00 3.88 -1.076015851e+00 -1.076015851e+00 3.90 -1.034531423e+00 -1.034531423e+00 3.92 -9.952488006e-01 -9.952488006e-01 3.94 -9.579762368e-01 -9.579762368e-01 3.96 -9.225408752e-01 -9.225408752e-01 3.98 -8.887875117e-01 -8.887875117e-01 4.00 -8.565770977e-01 -8.565770977e-01 4.02 -8.257852603e-01 -8.257852603e-01 4.04 -7.963008840e-01 -7.963008840e-01 4.06 -7.680248024e-01 -7.680248024e-01 4.08 -7.408686299e-01 -7.408686299e-01 4.10 -7.147536566e-01 -7.147536566e-01 4.12 -6.896103475e-01 -6.896103475e-01 4.14 -6.653770396e-01 -6.653770396e-01 4.16 -6.419997370e-01 -6.419997370e-01 4.18 -6.194314772e-01 -6.194314772e-01 4.20 -5.976318485e-01 -5.976318485e-01 4.22 -5.765665056e-01 -5.765665056e-01 4.24 -5.562066372e-01 -5.562066372e-01 4.26 -5.365283435e-01 -5.365283435e-01 4.28 -5.175118997e-01 -5.175118997e-01 4.30 -4.991408985e-01 -4.991408985e-01 4.32 -4.814012951e-01 -4.814012951e-01 4.34 -4.642804016e-01 -4.642804016e-01 4.36 -4.477659002e-01 -4.477659002e-01 4.38 -4.318449523e-01 -4.318449523e-01 4.40 -4.165034750e-01 -4.165034750e-01 4.42 -4.017256372e-01 -4.017256372e-01 4.44 -3.874936003e-01 -3.874936003e-01 4.46 -3.737874930e-01 -3.737874930e-01 4.48 -3.605855023e-01 -3.605855023e-01 4.50 -3.478641571e-01 -3.478641571e-01 4.52 -3.355992604e-01 -3.355992604e-01 4.54 -3.237658571e-01 -3.237658571e-01 4.56 -3.123386554e-01 -3.123386554e-01 4.58 -3.012924428e-01 -3.012924428e-01 4.60 -2.906024362e-01 -2.906024362e-01 4.62 -2.802445648e-01 -2.802445648e-01 4.64 -2.701956947e-01 -2.701956947e-01 4.66 -2.604338103e-01 -2.604338103e-01 4.68 -2.509381684e-01 -2.509381684e-01 4.70 -2.416894409e-01 -2.416894409e-01 4.72 -2.326698620e-01 -2.326698620e-01 4.74 -2.238633877e-01 -2.238633877e-01 4.76 -2.152558753e-01 -2.152558753e-01 4.78 -2.068352834e-01 -2.068352834e-01 4.80 -1.985918423e-01 -1.985918423e-01 4.82 -1.905184461e-01 -1.905184461e-01 4.84 -1.826105733e-01 -1.826105733e-01 4.86 -1.748666359e-01 -1.748666359e-01 4.88 -1.672880122e-01 -1.672880122e-01 4.90 -1.598790284e-01 -1.598790284e-01 4.92 -1.526468081e-01 -1.526468081e-01 4.94 -1.456009689e-01 -1.456009689e-01 4.96 -1.387531547e-01 -1.387531547e-01 4.98 -1.321164111e-01 -1.321164111e-01 5.00 -1.257044306e-01 -1.257044306e-01 5.02 -1.195307110e-01 -1.195307110e-01 5.04 -1.136076902e-01 -1.136076902e-01 5.06 -1.079459273e-01 -1.079459273e-01 5.08 -1.025533488e-01 -1.025533488e-01 5.10 -9.743469883e-02 -9.743469883e-02 5.12 -9.259151604e-02 -9.259151604e-02 5.14 -8.802182326e-02 -8.802182326e-02 5.16 -8.372024593e-02 -8.372024593e-02 5.18 -7.967833470e-02 -7.967833470e-02 5.20 -7.588502364e-02 -7.588502364e-02 5.22 -7.232716865e-02 -7.232716865e-02 5.24 -6.899011251e-02 -6.899011251e-02 5.26 -6.585823116e-02 -6.585823116e-02 5.28 -6.291542799e-02 -6.291542799e-02 5.30 -6.014555518e-02 -6.014555518e-02 5.32 -5.753275297e-02 -5.753275297e-02 5.34 -5.506170710e-02 -5.506170710e-02 5.36 -5.271783119e-02 -5.271783119e-02 5.38 -5.048738507e-02 -5.048738507e-02 5.40 -4.835754198e-02 -4.835754198e-02 5.42 -4.631641756e-02 -4.631641756e-02 5.44 -4.435307328e-02 -4.435307328e-02 5.46 -4.245750517e-02 -4.245750517e-02 5.48 -4.062062708e-02 -4.062062708e-02 5.50 -3.883425587e-02 -3.883425587e-02 5.52 -3.709110414e-02 -3.709110414e-02 5.54 -3.538478410e-02 -3.538478410e-02 5.56 -3.370982414e-02 -3.370982414e-02 5.58 -3.206169785e-02 -3.206169785e-02 5.60 -3.043686352e-02 -3.043686352e-02 5.62 -2.883280924e-02 -2.883280924e-02 5.64 -2.724809717e-02 -2.724809717e-02 5.66 -2.568239839e-02 -2.568239839e-02 5.68 -2.413650871e-02 -2.413650871e-02 5.70 -2.261233475e-02 -2.261233475e-02 5.72 -2.111284090e-02 -2.111284090e-02 5.74 -1.964194911e-02 -1.964194911e-02 5.76 -1.820438775e-02 -1.820438775e-02 5.78 -1.680536605e-02 -1.680536605e-02 5.80 -1.545052461e-02 -1.545052461e-02 5.82 -1.414571730e-02 -1.414571730e-02 5.84 -1.289658971e-02 -1.289658971e-02 5.86 -1.170829976e-02 -1.170829976e-02 5.88 -1.058526855e-02 -1.058526855e-02 5.90 -9.530979783e-03 -9.530979783e-03 5.92 -8.547841530e-03 -8.547841530e-03 5.94 -7.637117083e-03 -7.637117083e-03 5.96 -6.798924557e-03 -6.798924557e-03 5.98 -6.032298332e-03 -6.032298332e-03 6.00 -5.335300537e-03 -5.335300537e-03