# 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 = Al2CrNi # 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 -2.809873550e+02 -2.809873550e+02 1.04 -2.657688793e+02 -2.657688793e+02 1.06 -2.517496563e+02 -2.517496563e+02 1.08 -2.387409788e+02 -2.387409788e+02 1.10 -2.265195121e+02 -2.265195121e+02 1.12 -2.148257291e+02 -2.148257291e+02 1.14 -2.035539408e+02 -2.035539408e+02 1.16 -1.927143942e+02 -1.927143942e+02 1.18 -1.824063371e+02 -1.824063371e+02 1.20 -1.728099398e+02 -1.728099398e+02 1.22 -1.640029676e+02 -1.640029676e+02 1.24 -1.558980006e+02 -1.558980006e+02 1.26 -1.484530494e+02 -1.484530494e+02 1.28 -1.416357420e+02 -1.416357420e+02 1.30 -1.353648129e+02 -1.353648129e+02 1.32 -1.295043850e+02 -1.295043850e+02 1.34 -1.238960607e+02 -1.238960607e+02 1.36 -1.184552754e+02 -1.184552754e+02 1.38 -1.131515449e+02 -1.131515449e+02 1.40 -1.079464642e+02 -1.079464642e+02 1.42 -1.027772730e+02 -1.027772730e+02 1.44 -9.757892073e+01 -9.757892073e+01 1.46 -9.226652131e+01 -9.226652131e+01 1.48 -8.679643647e+01 -8.679643647e+01 1.50 -8.123675329e+01 -8.123675329e+01 1.52 -7.569663359e+01 -7.569663359e+01 1.54 -7.027104735e+01 -7.027104735e+01 1.56 -6.502680983e+01 -6.502680983e+01 1.58 -6.001067566e+01 -6.001067566e+01 1.60 -5.524820409e+01 -5.524820409e+01 1.62 -5.072916033e+01 -5.072916033e+01 1.64 -4.646542388e+01 -4.646542388e+01 1.66 -4.248190706e+01 -4.248190706e+01 1.68 -3.878942780e+01 -3.878942780e+01 1.70 -3.539957162e+01 -3.539957162e+01 1.72 -3.231573102e+01 -3.231573102e+01 1.74 -2.952002175e+01 -2.952002175e+01 1.76 -2.698886426e+01 -2.698886426e+01 1.78 -2.468434245e+01 -2.468434245e+01 1.80 -2.255764616e+01 -2.255764616e+01 1.82 -2.056159092e+01 -2.056159092e+01 1.84 -1.866046117e+01 -1.866046117e+01 1.86 -1.684636444e+01 -1.684636444e+01 1.88 -1.512629450e+01 -1.512629450e+01 1.90 -1.350154751e+01 -1.350154751e+01 1.92 -1.196552540e+01 -1.196552540e+01 1.94 -1.050963837e+01 -1.050963837e+01 1.96 -9.128216213e+00 -9.128216213e+00 1.98 -7.814822270e+00 -7.814822270e+00 2.00 -6.571547108e+00 -6.571547108e+00 2.02 -5.533924255e+00 -5.533924255e+00 2.04 -4.765016702e+00 -4.765016702e+00 2.06 -4.215794768e+00 -4.215794768e+00 2.08 -3.840763568e+00 -3.840763568e+00 2.10 -3.599669228e+00 -3.599669228e+00 2.12 -3.459359761e+00 -3.459359761e+00 2.14 -3.393426302e+00 -3.393426302e+00 2.16 -3.380886093e+00 -3.380886093e+00 2.18 -3.404944310e+00 -3.404944310e+00 2.20 -3.450574069e+00 -3.450574069e+00 2.22 -3.505223733e+00 -3.505223733e+00 2.24 -3.560405632e+00 -3.560405632e+00 2.26 -3.609719481e+00 -3.609719481e+00 2.28 -3.649013393e+00 -3.649013393e+00 2.30 -3.676438873e+00 -3.676438873e+00 2.32 -3.694563003e+00 -3.694563003e+00 2.34 -3.708188933e+00 -3.708188933e+00 2.36 -3.720544069e+00 -3.720544069e+00 2.38 -3.733760751e+00 -3.733760751e+00 2.40 -3.748186909e+00 -3.748186909e+00 2.42 -3.763195216e+00 -3.763195216e+00 2.44 -3.778657196e+00 -3.778657196e+00 2.46 -3.794659849e+00 -3.794659849e+00 2.48 -3.811536471e+00 -3.811536471e+00 2.50 -3.829462704e+00 -3.829462704e+00 2.52 -3.847373006e+00 -3.847373006e+00 2.54 -3.863652429e+00 -3.863652429e+00 2.56 -3.876742373e+00 -3.876742373e+00 2.58 -3.885259386e+00 -3.885259386e+00 2.60 -3.888176962e+00 -3.888176962e+00 2.62 -3.885119647e+00 -3.885119647e+00 2.64 -3.876269229e+00 -3.876269229e+00 2.66 -3.861972575e+00 -3.861972575e+00 2.68 -3.842510335e+00 -3.842510335e+00 2.70 -3.818226797e+00 -3.818226797e+00 2.72 -3.789582344e+00 -3.789582344e+00 2.74 -3.757013359e+00 -3.757013359e+00 2.76 -3.720867357e+00 -3.720867357e+00 2.78 -3.681639639e+00 -3.681639639e+00 2.80 -3.639959564e+00 -3.639959564e+00 2.82 -3.596382990e+00 -3.596382990e+00 2.84 -3.551233168e+00 -3.551233168e+00 2.86 -3.504568966e+00 -3.504568966e+00 2.88 -3.456153338e+00 -3.456153338e+00 2.90 -3.405672209e+00 -3.405672209e+00 2.92 -3.353136995e+00 -3.353136995e+00 2.94 -3.298613406e+00 -3.298613406e+00 2.96 -3.242226026e+00 -3.242226026e+00 2.98 -3.184266396e+00 -3.184266396e+00 3.00 -3.125195511e+00 -3.125195511e+00 3.02 -3.065604536e+00 -3.065604536e+00 3.04 -3.006144521e+00 -3.006144521e+00 3.06 -2.947307888e+00 -2.947307888e+00 3.08 -2.889337238e+00 -2.889337238e+00 3.10 -2.832317252e+00 -2.832317252e+00 3.12 -2.776318472e+00 -2.776318472e+00 3.14 -2.721416646e+00 -2.721416646e+00 3.16 -2.667686852e+00 -2.667686852e+00 3.18 -2.615187852e+00 -2.615187852e+00 3.20 -2.564001225e+00 -2.564001225e+00 3.22 -2.514088509e+00 -2.514088509e+00 3.24 -2.465325799e+00 -2.465325799e+00 3.26 -2.417583263e+00 -2.417583263e+00 3.28 -2.370697981e+00 -2.370697981e+00 3.30 -2.324325078e+00 -2.324325078e+00 3.32 -2.278059417e+00 -2.278059417e+00 3.34 -2.231495016e+00 -2.231495016e+00 3.36 -2.184227412e+00 -2.184227412e+00 3.38 -2.135868070e+00 -2.135868070e+00 3.40 -2.086088567e+00 -2.086088567e+00 3.42 -2.034685148e+00 -2.034685148e+00 3.44 -1.981521814e+00 -1.981521814e+00 3.46 -1.926513173e+00 -1.926513173e+00 3.48 -1.869614745e+00 -1.869614745e+00 3.50 -1.810811432e+00 -1.810811432e+00 3.52 -1.750118088e+00 -1.750118088e+00 3.54 -1.687623648e+00 -1.687623648e+00 3.56 -1.623473430e+00 -1.623473430e+00 3.58 -1.557905884e+00 -1.557905884e+00 3.60 -1.491215670e+00 -1.491215670e+00 3.62 -1.423724629e+00 -1.423724629e+00 3.64 -1.355769453e+00 -1.355769453e+00 3.66 -1.287710018e+00 -1.287710018e+00 3.68 -1.219916672e+00 -1.219916672e+00 3.70 -1.152757671e+00 -1.152757671e+00 3.72 -1.086539463e+00 -1.086539463e+00 3.74 -1.021494588e+00 -1.021494588e+00 3.76 -9.578275662e-01 -9.578275662e-01 3.78 -8.957171621e-01 -8.957171621e-01 3.80 -8.353162964e-01 -8.353162964e-01 3.82 -7.767517926e-01 -7.767517926e-01 3.84 -7.201246876e-01 -7.201246876e-01 3.86 -6.655146546e-01 -6.655146546e-01 3.88 -6.130141941e-01 -6.130141941e-01 3.90 -5.627145673e-01 -5.627145673e-01 3.92 -5.148937973e-01 -5.148937973e-01 3.94 -4.708168682e-01 -4.708168682e-01 3.96 -4.313998669e-01 -4.313998669e-01 3.98 -3.969016052e-01 -3.969016052e-01 4.00 -3.671339143e-01 -3.671339143e-01 4.02 -3.416262796e-01 -3.416262796e-01 4.04 -3.197527538e-01 -3.197527538e-01 4.06 -3.008251027e-01 -3.008251027e-01 4.08 -2.841696639e-01 -2.841696639e-01 4.10 -2.691805527e-01 -2.691805527e-01 4.12 -2.553315773e-01 -2.553315773e-01 4.14 -2.421816631e-01 -2.421816631e-01 4.16 -2.293745238e-01 -2.293745238e-01 4.18 -2.166449294e-01 -2.166449294e-01 4.20 -2.023652280e-01 -2.023652280e-01 4.22 -1.820733891e-01 -1.820733891e-01 4.24 -1.526827355e-01 -1.526827355e-01 4.26 -1.126255045e-01 -1.126255045e-01 4.28 -6.092103486e-02 -6.092103486e-02 4.30 2.104058777e-03 2.104058777e-03 4.32 7.496955103e-02 7.496955103e-02 4.34 1.554272315e-01 1.554272315e-01 4.36 2.408622533e-01 2.408622533e-01 4.38 3.285470271e-01 3.285470271e-01 4.40 4.157663257e-01 4.157663257e-01 4.42 4.999688282e-01 4.999688282e-01 4.44 5.788782204e-01 5.788782204e-01 4.46 6.505721767e-01 6.505721767e-01 4.48 7.135288923e-01 7.135288923e-01 4.50 7.666507750e-01 7.666507750e-01 4.52 8.092603293e-01 8.092603293e-01 4.54 8.410318680e-01 8.410318680e-01 4.56 8.619769401e-01 8.619769401e-01 4.58 8.724537279e-01 8.724537279e-01 4.60 8.731209533e-01 8.731209533e-01 4.62 8.648800822e-01 8.648800822e-01 4.64 8.488052206e-01 8.488052206e-01 4.66 8.260702048e-01 8.260702048e-01 4.68 7.978737133e-01 7.978737133e-01 4.70 7.653732401e-01 7.653732401e-01 4.72 7.296263893e-01 7.296263893e-01 4.74 6.915638939e-01 6.915638939e-01 4.76 6.519812720e-01 6.519812720e-01 4.78 6.115560176e-01 6.115560176e-01 4.80 5.708628998e-01 5.708628998e-01 4.82 5.303762360e-01 5.303762360e-01 4.84 4.905029884e-01 4.905029884e-01 4.86 4.516032420e-01 4.516032420e-01 4.88 4.139982888e-01 4.139982888e-01 4.90 3.779747076e-01 3.779747076e-01 4.92 3.437808832e-01 3.437808832e-01 4.94 3.116230853e-01 3.116230853e-01 4.96 2.816594959e-01 2.816594959e-01 4.98 2.539970100e-01 2.539970100e-01 5.00 2.286897663e-01 2.286897663e-01 5.02 2.057087507e-01 2.057087507e-01 5.04 1.848727771e-01 1.848727771e-01 5.06 1.659865444e-01 1.659865444e-01 5.08 1.488750068e-01 1.488750068e-01 5.10 1.333794510e-01 1.333794510e-01 5.12 1.193563832e-01 1.193563832e-01 5.14 1.066757896e-01 1.066757896e-01 5.16 9.521966503e-02 9.521966503e-02 5.18 8.488062889e-02 8.488062889e-02 5.20 7.556009587e-02 7.556009587e-02 5.22 6.716780689e-02 6.716780689e-02 5.24 5.962235436e-02 5.962235436e-02 5.26 5.284670007e-02 5.284670007e-02 5.28 4.676662895e-02 4.676662895e-02 5.30 4.131078296e-02 4.131078296e-02 5.32 3.641065417e-02 3.641065417e-02 5.34 3.200172998e-02 3.200172998e-02 5.36 2.802460286e-02 2.802460286e-02 5.38 2.442656627e-02 2.442656627e-02 5.40 2.116292525e-02 2.116292525e-02 5.42 1.819808055e-02 1.819808055e-02 5.44 1.550571076e-02 1.550571076e-02 5.46 1.306841997e-02 1.306841997e-02 5.48 1.087663448e-02 1.087663448e-02 5.50 8.927083862e-03 8.927083862e-03 5.52 7.221117712e-03 7.221117712e-03 5.54 5.755240151e-03 5.755240151e-03 5.56 4.509805906e-03 4.509805906e-03 5.58 3.464261661e-03 3.464261661e-03 5.60 2.598842134e-03 2.598842134e-03 5.62 1.894650625e-03 1.894650625e-03 5.64 1.333429478e-03 1.333429478e-03 5.66 8.975577278e-04 8.975577278e-04 5.68 5.701040280e-04 5.701040280e-04 5.70 3.346841902e-04 3.346841902e-04 5.72 1.754982949e-04 1.754982949e-04 5.74 7.720887473e-05 7.720887473e-05 5.76 2.491001294e-05 2.491001294e-05 5.78 3.981472775e-06 3.981472775e-06 5.80 1.357735407e-08 1.357735407e-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