# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlCr2Ni # 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 2022-05-24 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 -3.414790545e+02 -3.414790545e+02 1.04 -3.224072252e+02 -3.224072252e+02 1.06 -3.045378216e+02 -3.045378216e+02 1.08 -2.878206457e+02 -2.878206457e+02 1.10 -2.721024683e+02 -2.721024683e+02 1.12 -2.571952144e+02 -2.571952144e+02 1.14 -2.430322948e+02 -2.430322948e+02 1.16 -2.296075273e+02 -2.296075273e+02 1.18 -2.170438329e+02 -2.170438329e+02 1.20 -2.055143854e+02 -2.055143854e+02 1.22 -1.950433296e+02 -1.950433296e+02 1.24 -1.855147371e+02 -1.855147371e+02 1.26 -1.768002958e+02 -1.768002958e+02 1.28 -1.687756521e+02 -1.687756521e+02 1.30 -1.612813211e+02 -1.612813211e+02 1.32 -1.541478757e+02 -1.541478757e+02 1.34 -1.472294560e+02 -1.472294560e+02 1.36 -1.404490878e+02 -1.404490878e+02 1.38 -1.337775839e+02 -1.337775839e+02 1.40 -1.271852437e+02 -1.271852437e+02 1.42 -1.205984866e+02 -1.205984866e+02 1.44 -1.139432934e+02 -1.139432934e+02 1.46 -1.071652533e+02 -1.071652533e+02 1.48 -1.002657481e+02 -1.002657481e+02 1.50 -9.331306478e+01 -9.331306478e+01 1.52 -8.639570256e+01 -8.639570256e+01 1.54 -7.958229155e+01 -7.958229155e+01 1.56 -7.291427767e+01 -7.291427767e+01 1.58 -6.642093165e+01 -6.642093165e+01 1.60 -6.013150616e+01 -6.013150616e+01 1.62 -5.407974901e+01 -5.407974901e+01 1.64 -4.832727555e+01 -4.832727555e+01 1.66 -4.294291871e+01 -4.294291871e+01 1.68 -3.796107230e+01 -3.796107230e+01 1.70 -3.338720269e+01 -3.338720269e+01 1.72 -2.921756819e+01 -2.921756819e+01 1.74 -2.543590316e+01 -2.543590316e+01 1.76 -2.202191667e+01 -2.202191667e+01 1.78 -1.894294717e+01 -1.894294717e+01 1.80 -1.615443376e+01 -1.615443376e+01 1.82 -1.361163133e+01 -1.361163133e+01 1.84 -1.127793468e+01 -1.127793468e+01 1.86 -9.201452011e+00 -9.201452011e+00 1.88 -7.426065576e+00 -7.426065576e+00 1.90 -5.994195641e+00 -5.994195641e+00 1.92 -4.937921820e+00 -4.937921820e+00 1.94 -4.174102593e+00 -4.174102593e+00 1.96 -3.640576396e+00 -3.640576396e+00 1.98 -3.286879073e+00 -3.286879073e+00 2.00 -3.072183572e+00 -3.072183572e+00 2.02 -2.963551542e+00 -2.963551542e+00 2.04 -2.934684442e+00 -2.934684442e+00 2.06 -2.964259190e+00 -2.964259190e+00 2.08 -3.034654422e+00 -3.034654422e+00 2.10 -3.131626645e+00 -3.131626645e+00 2.12 -3.244310373e+00 -3.244310373e+00 2.14 -3.364002318e+00 -3.364002318e+00 2.16 -3.483123765e+00 -3.483123765e+00 2.18 -3.594981357e+00 -3.594981357e+00 2.20 -3.692557179e+00 -3.692557179e+00 2.22 -3.770935930e+00 -3.770935930e+00 2.24 -3.829201942e+00 -3.829201942e+00 2.26 -3.870353987e+00 -3.870353987e+00 2.28 -3.899760033e+00 -3.899760033e+00 2.30 -3.921792418e+00 -3.921792418e+00 2.32 -3.940299206e+00 -3.940299206e+00 2.34 -3.956784548e+00 -3.956784548e+00 2.36 -3.971147509e+00 -3.971147509e+00 2.38 -3.983613196e+00 -3.983613196e+00 2.40 -3.994345871e+00 -3.994345871e+00 2.42 -4.003242227e+00 -4.003242227e+00 2.44 -4.010096398e+00 -4.010096398e+00 2.46 -4.014812141e+00 -4.014812141e+00 2.48 -4.017457754e+00 -4.017457754e+00 2.50 -4.018160665e+00 -4.018160665e+00 2.52 -4.016448524e+00 -4.016448524e+00 2.54 -4.011568875e+00 -4.011568875e+00 2.56 -4.002941639e+00 -4.002941639e+00 2.58 -3.990005841e+00 -3.990005841e+00 2.60 -3.972431849e+00 -3.972431849e+00 2.62 -3.950020071e+00 -3.950020071e+00 2.64 -3.922859572e+00 -3.922859572e+00 2.66 -3.891345668e+00 -3.891345668e+00 2.68 -3.855800383e+00 -3.855800383e+00 2.70 -3.816524721e+00 -3.816524721e+00 2.72 -3.773845429e+00 -3.773845429e+00 2.74 -3.728028072e+00 -3.728028072e+00 2.76 -3.679224888e+00 -3.679224888e+00 2.78 -3.627725597e+00 -3.627725597e+00 2.80 -3.574038978e+00 -3.574038978e+00 2.82 -3.518686382e+00 -3.518686382e+00 2.84 -3.462053938e+00 -3.462053938e+00 2.86 -3.404312622e+00 -3.404312622e+00 2.88 -3.345361640e+00 -3.345361640e+00 2.90 -3.284997107e+00 -3.284997107e+00 2.92 -3.223317250e+00 -3.223317250e+00 2.94 -3.160373515e+00 -3.160373515e+00 2.96 -3.096235002e+00 -3.096235002e+00 2.98 -3.031141550e+00 -3.031141550e+00 3.00 -2.965499151e+00 -2.965499151e+00 3.02 -2.899746645e+00 -2.899746645e+00 3.04 -2.834231055e+00 -2.834231055e+00 3.06 -2.769203729e+00 -2.769203729e+00 3.08 -2.704742168e+00 -2.704742168e+00 3.10 -2.640828460e+00 -2.640828460e+00 3.12 -2.577280672e+00 -2.577280672e+00 3.14 -2.513768423e+00 -2.513768423e+00 3.16 -2.450036764e+00 -2.450036764e+00 3.18 -2.385913382e+00 -2.385913382e+00 3.20 -2.321307555e+00 -2.321307555e+00 3.22 -2.256135210e+00 -2.256135210e+00 3.24 -2.190307878e+00 -2.190307878e+00 3.26 -2.123749277e+00 -2.123749277e+00 3.28 -2.056384349e+00 -2.056384349e+00 3.30 -1.988137478e+00 -1.988137478e+00 3.32 -1.919166040e+00 -1.919166040e+00 3.34 -1.849813994e+00 -1.849813994e+00 3.36 -1.780351209e+00 -1.780351209e+00 3.38 -1.710986032e+00 -1.710986032e+00 3.40 -1.641914865e+00 -1.641914865e+00 3.42 -1.573408232e+00 -1.573408232e+00 3.44 -1.505728493e+00 -1.505728493e+00 3.46 -1.439110913e+00 -1.439110913e+00 3.48 -1.373761117e+00 -1.373761117e+00 3.50 -1.309852018e+00 -1.309852018e+00 3.52 -1.247532960e+00 -1.247532960e+00 3.54 -1.186965794e+00 -1.186965794e+00 3.56 -1.128293292e+00 -1.128293292e+00 3.58 -1.071605596e+00 -1.071605596e+00 3.60 -1.016925080e+00 -1.016925080e+00 3.62 -9.642477540e-01 -9.642477540e-01 3.64 -9.135533612e-01 -9.135533612e-01 3.66 -8.648320985e-01 -8.648320985e-01 3.68 -8.180697591e-01 -8.180697591e-01 3.70 -7.732382728e-01 -7.732382728e-01 3.72 -7.302838898e-01 -7.302838898e-01 3.74 -6.891320789e-01 -6.891320789e-01 3.76 -6.497054937e-01 -6.497054937e-01 3.78 -6.119259242e-01 -6.119259242e-01 3.80 -5.757153848e-01 -5.757153848e-01 3.82 -5.409964087e-01 -5.409964087e-01 3.84 -5.076925951e-01 -5.076925951e-01 3.86 -4.757314476e-01 -4.757314476e-01 3.88 -4.450660399e-01 -4.450660399e-01 3.90 -4.156028331e-01 -4.156028331e-01 3.92 -3.865430668e-01 -3.865430668e-01 3.94 -3.569780968e-01 -3.569780968e-01 3.96 -3.264392306e-01 -3.264392306e-01 3.98 -2.947914276e-01 -2.947914276e-01 4.00 -2.621353169e-01 -2.621353169e-01 4.02 -2.287271544e-01 -2.287271544e-01 4.04 -1.949162304e-01 -1.949162304e-01 4.06 -1.610948391e-01 -1.610948391e-01 4.08 -1.276631085e-01 -1.276631085e-01 4.10 -9.500287723e-02 -9.500287723e-02 4.12 -6.345631425e-02 -6.345631425e-02 4.14 -3.329919102e-02 -3.329919102e-02 4.16 -4.726755540e-03 -4.726755540e-03 4.18 2.212851178e-02 2.212851178e-02 4.20 4.727671040e-02 4.727671040e-02 4.22 7.102953372e-02 7.102953372e-02 4.24 9.358441296e-02 9.358441296e-02 4.26 1.149832185e-01 1.149832185e-01 4.28 1.351538166e-01 1.351538166e-01 4.30 1.539812979e-01 1.539812979e-01 4.32 1.713336325e-01 1.713336325e-01 4.34 1.870808828e-01 1.870808828e-01 4.36 2.010151965e-01 2.010151965e-01 4.38 2.128630704e-01 2.128630704e-01 4.40 2.224022693e-01 2.224022693e-01 4.42 2.294780807e-01 2.294780807e-01 4.44 2.340102546e-01 2.340102546e-01 4.46 2.359976772e-01 2.359976772e-01 4.48 2.355181231e-01 2.355181231e-01 4.50 2.327264963e-01 2.327264963e-01 4.52 2.278482237e-01 2.278482237e-01 4.54 2.211656485e-01 2.211656485e-01 4.56 2.130208593e-01 2.130208593e-01 4.58 2.037875687e-01 2.037875687e-01 4.60 1.938489641e-01 1.938489641e-01 4.62 1.835796685e-01 1.835796685e-01 4.64 1.733264688e-01 1.733264688e-01 4.66 1.633903931e-01 1.633903931e-01 4.68 1.540114429e-01 1.540114429e-01 4.70 1.453593217e-01 1.453593217e-01 4.72 1.375278621e-01 1.375278621e-01 4.74 1.305418779e-01 1.305418779e-01 4.76 1.243692937e-01 1.243692937e-01 4.78 1.189502185e-01 1.189502185e-01 4.80 1.142032458e-01 1.142032458e-01 4.82 1.100122166e-01 1.100122166e-01 4.84 1.062573757e-01 1.062573757e-01 4.86 1.028292909e-01 1.028292909e-01 4.88 9.963446714e-02 9.963446714e-02 4.90 9.659787499e-02 9.659787499e-02 4.92 9.366261209e-02 9.366261209e-02 4.94 9.078777966e-02 9.078777966e-02 4.96 8.794533619e-02 8.794533619e-02 4.98 8.511645836e-02 8.511645836e-02 5.00 8.228821787e-02 8.228821787e-02 5.02 7.944666941e-02 7.944666941e-02 5.04 7.656526264e-02 7.656526264e-02 5.06 7.363077165e-02 7.363077165e-02 5.08 7.064090709e-02 7.064090709e-02 5.10 6.759542981e-02 6.759542981e-02 5.12 6.449614482e-02 6.449614482e-02 5.14 6.134677574e-02 6.134677574e-02 5.16 5.815299861e-02 5.815299861e-02 5.18 5.492238773e-02 5.492238773e-02 5.20 5.166434049e-02 5.166434049e-02 5.22 4.839023305e-02 4.839023305e-02 5.24 4.511307546e-02 4.511307546e-02 5.26 4.184652701e-02 4.184652701e-02 5.28 3.860490631e-02 3.860490631e-02 5.30 3.540333396e-02 3.540333396e-02 5.32 3.225747923e-02 3.225747923e-02 5.34 2.918359558e-02 2.918359558e-02 5.36 2.619824722e-02 2.619824722e-02 5.38 2.331818530e-02 2.331818530e-02 5.40 2.056009584e-02 2.056009584e-02 5.42 1.794044138e-02 1.794044138e-02 5.44 1.547533839e-02 1.547533839e-02 5.46 1.318047966e-02 1.318047966e-02 5.48 1.107119378e-02 1.107119378e-02 5.50 9.162417433e-03 9.162417433e-03 5.52 7.468735697e-03 7.468735697e-03 5.54 5.996080085e-03 5.996080085e-03 5.56 4.731179605e-03 4.731179605e-03 5.58 3.658290685e-03 3.658290685e-03 5.60 2.761458897e-03 2.761458897e-03 5.62 2.024855216e-03 2.024855216e-03 5.64 1.432634202e-03 1.432634202e-03 5.66 9.689495964e-04 9.689495964e-04 5.68 6.180402486e-04 6.180402486e-04 5.70 3.641472930e-04 3.641472930e-04 5.72 1.915201163e-04 1.915201163e-04 5.74 8.444945264e-05 8.444945264e-05 5.76 2.730198032e-05 2.730198032e-05 5.78 4.370215675e-06 4.370215675e-06 5.80 1.541844791e-08 1.541844791e-08 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00