# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Al-C # implementation = 2019--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = AlCTi2 # 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 1.907313584e+03 1.907313584e+03 0.88 1.750880587e+03 1.750880587e+03 0.90 1.606906039e+03 1.606906039e+03 0.92 1.475660691e+03 1.475660691e+03 0.94 1.357565563e+03 1.357565563e+03 0.96 1.252566296e+03 1.252566296e+03 0.98 1.160732344e+03 1.160732344e+03 1.00 1.076476197e+03 1.076476197e+03 1.02 9.976640152e+02 9.976640152e+02 1.04 9.222143987e+02 9.222143987e+02 1.06 8.509431589e+02 8.509431589e+02 1.08 7.853056939e+02 7.853056939e+02 1.10 7.253786295e+02 7.253786295e+02 1.12 6.698155929e+02 6.698155929e+02 1.14 6.187131540e+02 6.187131540e+02 1.16 5.732248959e+02 5.732248959e+02 1.18 5.321278035e+02 5.321278035e+02 1.20 4.935408375e+02 4.935408375e+02 1.22 4.577913872e+02 4.577913872e+02 1.24 4.250644018e+02 4.250644018e+02 1.26 3.941826038e+02 3.941826038e+02 1.28 3.634992344e+02 3.634992344e+02 1.30 3.302718677e+02 3.302718677e+02 1.32 3.004162604e+02 3.004162604e+02 1.34 2.790931640e+02 2.790931640e+02 1.36 2.576513799e+02 2.576513799e+02 1.38 2.362716698e+02 2.362716698e+02 1.40 2.150997530e+02 2.150997530e+02 1.42 1.944370031e+02 1.944370031e+02 1.44 1.746399345e+02 1.746399345e+02 1.46 1.560535516e+02 1.560535516e+02 1.48 1.389898484e+02 1.389898484e+02 1.50 1.234886942e+02 1.234886942e+02 1.52 1.110979055e+02 1.110979055e+02 1.54 1.022884446e+02 1.022884446e+02 1.56 9.420819884e+01 9.420819884e+01 1.58 8.674435270e+01 8.674435270e+01 1.60 7.989106970e+01 7.989106970e+01 1.62 7.363384221e+01 7.363384221e+01 1.64 6.791622092e+01 6.791622092e+01 1.66 6.260760417e+01 6.260760417e+01 1.68 5.766593485e+01 5.766593485e+01 1.70 5.306111885e+01 5.306111885e+01 1.72 4.876174508e+01 4.876174508e+01 1.74 4.470890279e+01 4.470890279e+01 1.76 4.080097639e+01 4.080097639e+01 1.78 3.703519895e+01 3.703519895e+01 1.80 3.341943018e+01 3.341943018e+01 1.82 2.996590173e+01 2.996590173e+01 1.84 2.669284192e+01 2.669284192e+01 1.86 2.362769907e+01 2.362769907e+01 1.88 2.080945951e+01 2.080945951e+01 1.90 1.828657142e+01 1.828657142e+01 1.92 1.610599973e+01 1.610599973e+01 1.94 1.428103998e+01 1.428103998e+01 1.96 1.264491113e+01 1.264491113e+01 1.98 1.112956244e+01 1.112956244e+01 2.00 9.726948049e+00 9.726948049e+00 2.02 8.426520477e+00 8.426520477e+00 2.04 7.211838443e+00 7.211838443e+00 2.06 6.079381373e+00 6.079381373e+00 2.08 5.026913651e+00 5.026913651e+00 2.10 4.052193268e+00 4.052193268e+00 2.12 3.152233151e+00 3.152233151e+00 2.14 2.320408386e+00 2.320408386e+00 2.16 1.554117541e+00 1.554117541e+00 2.18 8.513307028e-01 8.513307028e-01 2.20 2.096179531e-01 2.096179531e-01 2.22 -3.738379257e-01 -3.738379257e-01 2.24 -9.021981488e-01 -9.021981488e-01 2.26 -1.378897356e+00 -1.378897356e+00 2.28 -1.807550513e+00 -1.807550513e+00 2.30 -2.191844214e+00 -2.191844214e+00 2.32 -2.535422027e+00 -2.535422027e+00 2.34 -2.841776046e+00 -2.841776046e+00 2.36 -3.114157876e+00 -3.114157876e+00 2.38 -3.355521194e+00 -3.355521194e+00 2.40 -3.569694137e+00 -3.569694137e+00 2.42 -3.759766247e+00 -3.759766247e+00 2.44 -3.926147686e+00 -3.926147686e+00 2.46 -4.069402291e+00 -4.069402291e+00 2.48 -4.190360888e+00 -4.190360888e+00 2.50 -4.291510407e+00 -4.291510407e+00 2.52 -4.374220337e+00 -4.374220337e+00 2.54 -4.439314542e+00 -4.439314542e+00 2.56 -4.483387372e+00 -4.483387372e+00 2.58 -4.497389406e+00 -4.497389406e+00 2.60 -4.479619176e+00 -4.479619176e+00 2.62 -4.429263301e+00 -4.429263301e+00 2.64 -4.346414232e+00 -4.346414232e+00 2.66 -4.232249278e+00 -4.232249278e+00 2.68 -4.089147318e+00 -4.089147318e+00 2.70 -3.920728622e+00 -3.920728622e+00 2.72 -3.731816323e+00 -3.731816323e+00 2.74 -3.528336567e+00 -3.528336567e+00 2.76 -3.317187227e+00 -3.317187227e+00 2.78 -3.106090846e+00 -3.106090846e+00 2.80 -2.903390655e+00 -2.903390655e+00 2.82 -2.717554770e+00 -2.717554770e+00 2.84 -2.552157079e+00 -2.552157079e+00 2.86 -2.406701124e+00 -2.406701124e+00 2.88 -2.281824553e+00 -2.281824553e+00 2.90 -2.179663861e+00 -2.179663861e+00 2.92 -2.101056123e+00 -2.101056123e+00 2.94 -2.029823016e+00 -2.029823016e+00 2.96 -1.953681357e+00 -1.953681357e+00 2.98 -1.873223319e+00 -1.873223319e+00 3.00 -1.789095628e+00 -1.789095628e+00 3.02 -1.701998422e+00 -1.701998422e+00 3.04 -1.612682301e+00 -1.612682301e+00 3.06 -1.521943355e+00 -1.521943355e+00 3.08 -1.430615976e+00 -1.430615976e+00 3.10 -1.339563338e+00 -1.339563338e+00 3.12 -1.249665501e+00 -1.249665501e+00 3.14 -1.161805201e+00 -1.161805201e+00 3.16 -1.076851510e+00 -1.076851510e+00 3.18 -9.956417084e-01 -9.956417084e-01 3.20 -9.189618675e-01 -9.189618675e-01 3.22 -8.475268501e-01 -8.475268501e-01 3.24 -7.819605758e-01 -7.819605758e-01 3.26 -7.227775684e-01 -7.227775684e-01 3.28 -6.703668777e-01 -6.703668777e-01 3.30 -6.249794715e-01 -6.249794715e-01 3.32 -5.839769343e-01 -5.839769343e-01 3.34 -5.439761185e-01 -5.439761185e-01 3.36 -5.055997402e-01 -5.055997402e-01 3.38 -4.674687622e-01 -4.674687622e-01 3.40 -4.266028660e-01 -4.266028660e-01 3.42 -3.838532954e-01 -3.838532954e-01 3.44 -3.401560770e-01 -3.401560770e-01 3.46 -2.964237830e-01 -2.964237830e-01 3.48 -2.535275945e-01 -2.535275945e-01 3.50 -2.122800362e-01 -2.122800362e-01 3.52 -1.734186167e-01 -1.734186167e-01 3.54 -1.375907204e-01 -1.375907204e-01 3.56 -1.053402008e-01 -1.053402008e-01 3.58 -7.709621197e-02 -7.709621197e-02 3.60 -5.316486350e-02 -5.316486350e-02 3.62 -3.372428333e-02 -3.372428333e-02 3.64 -1.882359872e-02 -1.882359872e-02 3.66 -8.386194761e-03 -8.386194761e-03 3.68 -2.217379588e-03 -2.217379588e-03 3.70 -1.629453819e-05 -1.629453819e-05 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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