# 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 = AlMo2Pt # 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 2.766318992e+02 2.766318992e+02 1.30 2.575728905e+02 2.575728905e+02 1.32 2.397922698e+02 2.397922698e+02 1.34 2.231967076e+02 2.231967076e+02 1.36 2.077110296e+02 2.077110296e+02 1.38 1.932684067e+02 1.932684067e+02 1.40 1.798034761e+02 1.798034761e+02 1.42 1.672499648e+02 1.672499648e+02 1.44 1.555417875e+02 1.555417875e+02 1.46 1.446154010e+02 1.446154010e+02 1.48 1.344114065e+02 1.344114065e+02 1.50 1.248749264e+02 1.248749264e+02 1.52 1.159553668e+02 1.159553668e+02 1.54 1.076060067e+02 1.076060067e+02 1.56 9.978359372e+01 9.978359372e+01 1.58 9.244797196e+01 9.244797196e+01 1.60 8.556160853e+01 8.556160853e+01 1.62 7.908907576e+01 7.908907576e+01 1.64 7.299684122e+01 7.299684122e+01 1.66 6.725368341e+01 6.725368341e+01 1.68 6.183169183e+01 6.183169183e+01 1.70 5.670742375e+01 5.670742375e+01 1.72 5.186259004e+01 5.186259004e+01 1.74 4.728379000e+01 4.728379000e+01 1.76 4.296201843e+01 4.296201843e+01 1.78 3.889370371e+01 3.889370371e+01 1.80 3.507706943e+01 3.507706943e+01 1.82 3.155942147e+01 3.155942147e+01 1.84 2.834113165e+01 2.834113165e+01 1.86 2.540171567e+01 2.540171567e+01 1.88 2.271940274e+01 2.271940274e+01 1.90 2.027259392e+01 2.027259392e+01 1.92 1.804052048e+01 1.804052048e+01 1.94 1.600365928e+01 1.600365928e+01 1.96 1.414386579e+01 1.414386579e+01 1.98 1.244435304e+01 1.244435304e+01 2.00 1.088967273e+01 1.088967273e+01 2.02 9.465752945e+00 9.465752945e+00 2.04 8.159937267e+00 8.159937267e+00 2.06 6.960949980e+00 6.960949980e+00 2.08 5.858769299e+00 5.858769299e+00 2.10 4.844450977e+00 4.844450977e+00 2.12 3.909963632e+00 3.909963632e+00 2.14 3.048077370e+00 3.048077370e+00 2.16 2.252313566e+00 2.252313566e+00 2.18 1.516934079e+00 1.516934079e+00 2.20 8.369346396e-01 8.369346396e-01 2.22 2.080132573e-01 2.080132573e-01 2.24 -3.734967886e-01 -3.734967886e-01 2.26 -9.107212936e-01 -9.107212936e-01 2.28 -1.406349823e+00 -1.406349823e+00 2.30 -1.862735016e+00 -1.862735016e+00 2.32 -2.281977274e+00 -2.281977274e+00 2.34 -2.665992060e+00 -2.665992060e+00 2.36 -3.016561562e+00 -3.016561562e+00 2.38 -3.335373806e+00 -3.335373806e+00 2.40 -3.624052825e+00 -3.624052825e+00 2.42 -3.884183056e+00 -3.884183056e+00 2.44 -4.117330720e+00 -4.117330720e+00 2.46 -4.325063984e+00 -4.325063984e+00 2.48 -4.508971632e+00 -4.508971632e+00 2.50 -4.670676586e+00 -4.670676586e+00 2.52 -4.811837442e+00 -4.811837442e+00 2.54 -4.934131183e+00 -4.934131183e+00 2.56 -5.039207449e+00 -5.039207449e+00 2.58 -5.128404929e+00 -5.128404929e+00 2.60 -5.203393035e+00 -5.203393035e+00 2.62 -5.266687408e+00 -5.266687408e+00 2.64 -5.319545116e+00 -5.319545116e+00 2.66 -5.362733357e+00 -5.362733357e+00 2.68 -5.396839606e+00 -5.396839606e+00 2.70 -5.422306104e+00 -5.422306104e+00 2.72 -5.439474057e+00 -5.439474057e+00 2.74 -5.448504899e+00 -5.448504899e+00 2.76 -5.449246612e+00 -5.449246612e+00 2.78 -5.441579444e+00 -5.441579444e+00 2.80 -5.425473200e+00 -5.425473200e+00 2.82 -5.400981022e+00 -5.400981022e+00 2.84 -5.368235863e+00 -5.368235863e+00 2.86 -5.327451152e+00 -5.327451152e+00 2.88 -5.278925748e+00 -5.278925748e+00 2.90 -5.223051605e+00 -5.223051605e+00 2.92 -5.160335109e+00 -5.160335109e+00 2.94 -5.091931201e+00 -5.091931201e+00 2.96 -5.018626320e+00 -5.018626320e+00 2.98 -4.940944401e+00 -4.940944401e+00 3.00 -4.859481024e+00 -4.859481024e+00 3.02 -4.774858281e+00 -4.774858281e+00 3.04 -4.687677719e+00 -4.687677719e+00 3.06 -4.598478268e+00 -4.598478268e+00 3.08 -4.507704783e+00 -4.507704783e+00 3.10 -4.415699220e+00 -4.415699220e+00 3.12 -4.322700764e+00 -4.322700764e+00 3.14 -4.228835597e+00 -4.228835597e+00 3.16 -4.134130851e+00 -4.134130851e+00 3.18 -4.038535865e+00 -4.038535865e+00 3.20 -3.941946190e+00 -3.941946190e+00 3.22 -3.844228284e+00 -3.844228284e+00 3.24 -3.745243423e+00 -3.745243423e+00 3.26 -3.644869961e+00 -3.644869961e+00 3.28 -3.543023480e+00 -3.543023480e+00 3.30 -3.439674498e+00 -3.439674498e+00 3.32 -3.334863345e+00 -3.334863345e+00 3.34 -3.228711591e+00 -3.228711591e+00 3.36 -3.121474362e+00 -3.121474362e+00 3.38 -3.013748733e+00 -3.013748733e+00 3.40 -2.906263519e+00 -2.906263519e+00 3.42 -2.799754292e+00 -2.799754292e+00 3.44 -2.694936441e+00 -2.694936441e+00 3.46 -2.592477046e+00 -2.592477046e+00 3.48 -2.492968750e+00 -2.492968750e+00 3.50 -2.396908588e+00 -2.396908588e+00 3.52 -2.304683909e+00 -2.304683909e+00 3.54 -2.216566381e+00 -2.216566381e+00 3.56 -2.132713872e+00 -2.132713872e+00 3.58 -2.053179058e+00 -2.053179058e+00 3.60 -1.977922928e+00 -1.977922928e+00 3.62 -1.906831174e+00 -1.906831174e+00 3.64 -1.839731540e+00 -1.839731540e+00 3.66 -1.776410582e+00 -1.776410582e+00 3.68 -1.716628734e+00 -1.716628734e+00 3.70 -1.660133056e+00 -1.660133056e+00 3.72 -1.606667424e+00 -1.606667424e+00 3.74 -1.555980232e+00 -1.555980232e+00 3.76 -1.507829826e+00 -1.507829826e+00 3.78 -1.461988035e+00 -1.461988035e+00 3.80 -1.418242173e+00 -1.418242173e+00 3.82 -1.376395856e+00 -1.376395856e+00 3.84 -1.336268995e+00 -1.336268995e+00 3.86 -1.297697212e+00 -1.297697212e+00 3.88 -1.260530932e+00 -1.260530932e+00 3.90 -1.224634328e+00 -1.224634328e+00 3.92 -1.189884259e+00 -1.189884259e+00 3.94 -1.156169339e+00 -1.156169339e+00 3.96 -1.123389171e+00 -1.123389171e+00 3.98 -1.091453860e+00 -1.091453860e+00 4.00 -1.060283801e+00 -1.060283801e+00 4.02 -1.029809761e+00 -1.029809761e+00 4.04 -9.999732156e-01 -9.999732156e-01 4.06 -9.707268774e-01 -9.707268774e-01 4.08 -9.420353049e-01 -9.420353049e-01 4.10 -9.138754121e-01 -9.138754121e-01 4.12 -8.862367875e-01 -8.862367875e-01 4.14 -8.591213815e-01 -8.591213815e-01 4.16 -8.325427085e-01 -8.325427085e-01 4.18 -8.065241925e-01 -8.065241925e-01 4.20 -7.810967466e-01 -7.810967466e-01 4.22 -7.562956766e-01 -7.562956766e-01 4.24 -7.321571466e-01 -7.321571466e-01 4.26 -7.087145360e-01 -7.087145360e-01 4.28 -6.859950560e-01 -6.859950560e-01 4.30 -6.640169602e-01 -6.640169602e-01 4.32 -6.427875936e-01 -6.427875936e-01 4.34 -6.223023927e-01 -6.223023927e-01 4.36 -6.025448185e-01 -6.025448185e-01 4.38 -5.834870886e-01 -5.834870886e-01 4.40 -5.650915078e-01 -5.650915078e-01 4.42 -5.473121795e-01 -5.473121795e-01 4.44 -5.300968571e-01 -5.300968571e-01 4.46 -5.133887794e-01 -5.133887794e-01 4.48 -4.971283725e-01 -4.971283725e-01 4.50 -4.812547677e-01 -4.812547677e-01 4.52 -4.657070620e-01 -4.657070620e-01 4.54 -4.504251237e-01 -4.504251237e-01 4.56 -4.353513142e-01 -4.353513142e-01 4.58 -4.204308635e-01 -4.204308635e-01 4.60 -4.056125198e-01 -4.056125198e-01 4.62 -3.908497968e-01 -3.908497968e-01 4.64 -3.761016418e-01 -3.761016418e-01 4.66 -3.613322364e-01 -3.613322364e-01 4.68 -3.465134639e-01 -3.465134639e-01 4.70 -3.316258869e-01 -3.316258869e-01 4.72 -3.166596863e-01 -3.166596863e-01 4.74 -3.016155266e-01 -3.016155266e-01 4.76 -2.865052261e-01 -2.865052261e-01 4.78 -2.713521080e-01 -2.713521080e-01 4.80 -2.561909170e-01 -2.561909170e-01 4.82 -2.410672551e-01 -2.410672551e-01 4.84 -2.260364037e-01 -2.260364037e-01 4.86 -2.111616777e-01 -2.111616777e-01 4.88 -1.965122823e-01 -1.965122823e-01 4.90 -1.821608345e-01 -1.821608345e-01 4.92 -1.681806988e-01 -1.681806988e-01 4.94 -1.546433041e-01 -1.546433041e-01 4.96 -1.416156046e-01 -1.416156046e-01 4.98 -1.291578245e-01 -1.291578245e-01 5.00 -1.173215919e-01 -1.173215919e-01 5.02 -1.061485333e-01 -1.061485333e-01 5.04 -9.566936461e-02 -9.566936461e-02 5.06 -8.590348618e-02 -8.590348618e-02 5.08 -7.685905982e-02 -7.685905982e-02 5.10 -6.853352571e-02 -6.853352571e-02 5.12 -6.091449438e-02 -6.091449438e-02 5.14 -5.398093333e-02 -5.398093333e-02 5.16 -4.770455522e-02 -4.770455522e-02 5.18 -4.205132119e-02 -4.205132119e-02 5.20 -3.698296278e-02 -3.698296278e-02 5.22 -3.245842728e-02 -3.245842728e-02 5.24 -2.843520425e-02 -2.843520425e-02 5.26 -2.487048267e-02 -2.487048267e-02 5.28 -2.172214164e-02 -2.172214164e-02 5.30 -1.894951793e-02 -1.894951793e-02 5.32 -1.651391132e-02 -1.651391132e-02 5.34 -1.437868683e-02 -1.437868683e-02 5.36 -1.251058905e-02 -1.251058905e-02 5.38 -1.087912476e-02 -1.087912476e-02 5.40 -9.456465839e-03 -9.456465839e-03 5.42 -8.217443547e-03 -8.217443547e-03 5.44 -7.139464837e-03 -7.139464837e-03 5.46 -6.202376528e-03 -6.202376528e-03 5.48 -5.388297305e-03 -5.388297305e-03 5.50 -4.681432746e-03 -4.681432746e-03 5.52 -4.067884584e-03 -4.067884584e-03 5.54 -3.535462113e-03 -3.535462113e-03 5.56 -3.073501109e-03 -3.073501109e-03 5.58 -2.672693694e-03 -2.672693694e-03 5.60 -2.324931074e-03 -2.324931074e-03 5.62 -2.023160055e-03 -2.023160055e-03 5.64 -1.761253456e-03 -1.761253456e-03 5.66 -1.533894038e-03 -1.533894038e-03 5.68 -1.336471249e-03 -1.336471249e-03 5.70 -1.164989872e-03 -1.164989872e-03 5.72 -1.015989587e-03 -1.015989587e-03 5.74 -8.864743950e-04 -8.864743950e-04 5.76 -7.738509085e-04 -7.738509085e-04 5.78 -6.758745275e-04 -6.758745275e-04 5.80 -5.906025967e-04 -5.906025967e-04 5.82 -5.163537136e-04 -5.163537136e-04 5.84 -4.516724310e-04 -4.516724310e-04 5.86 -3.952986752e-04 -3.952986752e-04 5.88 -3.461412763e-04 -3.461412763e-04 5.90 -3.032550742e-04 -3.032550742e-04 5.92 -2.658211308e-04 -2.658211308e-04 5.94 -2.331296312e-04 -2.331296312e-04 5.96 -2.045651172e-04 -2.045651172e-04 5.98 -1.795937334e-04 -1.795937334e-04 6.00 -1.577522163e-04 -1.577522163e-04