# 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 = Al2CTi # 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 1.626075114e+03 1.626075114e+03 0.88 1.494006240e+03 1.494006240e+03 0.90 1.375068448e+03 1.375068448e+03 0.92 1.267447001e+03 1.267447001e+03 0.94 1.169498206e+03 1.169498206e+03 0.96 1.080151694e+03 1.080151694e+03 0.98 9.982012715e+02 9.982012715e+02 1.00 9.215383014e+02 9.215383014e+02 1.02 8.481653068e+02 8.481653068e+02 1.04 7.788321003e+02 7.788321003e+02 1.06 7.146172893e+02 7.146172893e+02 1.08 6.562196569e+02 6.562196569e+02 1.10 6.034231722e+02 6.034231722e+02 1.12 5.557430840e+02 5.557430840e+02 1.14 5.147580763e+02 5.147580763e+02 1.16 4.771484957e+02 4.771484957e+02 1.18 4.419467026e+02 4.419467026e+02 1.20 4.090121898e+02 4.090121898e+02 1.22 3.783590744e+02 3.783590744e+02 1.24 3.499902342e+02 3.499902342e+02 1.26 3.234210005e+02 3.234210005e+02 1.28 2.984660250e+02 2.984660250e+02 1.30 2.749706283e+02 2.749706283e+02 1.32 2.536117557e+02 2.536117557e+02 1.34 2.338009320e+02 2.338009320e+02 1.36 2.150356688e+02 2.150356688e+02 1.38 1.974240257e+02 1.974240257e+02 1.40 1.809441073e+02 1.809441073e+02 1.42 1.657565635e+02 1.657565635e+02 1.44 1.521623077e+02 1.521623077e+02 1.46 1.404090972e+02 1.404090972e+02 1.48 1.300105850e+02 1.300105850e+02 1.50 1.202359440e+02 1.202359440e+02 1.52 1.110245420e+02 1.110245420e+02 1.54 1.023661202e+02 1.023661202e+02 1.56 9.425478099e+01 9.425478099e+01 1.58 8.667196636e+01 8.667196636e+01 1.60 7.958169356e+01 7.958169356e+01 1.62 7.299127187e+01 7.299127187e+01 1.64 6.691930064e+01 6.691930064e+01 1.66 6.139167337e+01 6.139167337e+01 1.68 5.643232280e+01 5.643232280e+01 1.70 5.203570763e+01 5.203570763e+01 1.72 4.803734402e+01 4.803734402e+01 1.74 4.429579903e+01 4.429579903e+01 1.76 4.074045674e+01 4.074045674e+01 1.78 3.736305794e+01 3.736305794e+01 1.80 3.416683985e+01 3.416683985e+01 1.82 3.115717674e+01 3.115717674e+01 1.84 2.833993091e+01 2.833993091e+01 1.86 2.572135841e+01 2.572135841e+01 1.88 2.330768232e+01 2.330768232e+01 1.90 2.110380003e+01 2.110380003e+01 1.92 1.911085008e+01 1.911085008e+01 1.94 1.731979233e+01 1.731979233e+01 1.96 1.567579184e+01 1.567579184e+01 1.98 1.415705740e+01 1.415705740e+01 2.00 1.275572393e+01 1.275572393e+01 2.02 1.146226781e+01 1.146226781e+01 2.04 1.025990630e+01 1.025990630e+01 2.06 9.139414810e+00 9.139414810e+00 2.08 8.097303344e+00 8.097303344e+00 2.10 7.130208841e+00 7.130208841e+00 2.12 6.233713860e+00 6.233713860e+00 2.14 5.397231631e+00 5.397231631e+00 2.16 4.617681123e+00 4.617681123e+00 2.18 3.893478819e+00 3.893478819e+00 2.20 3.222811820e+00 3.222811820e+00 2.22 2.583981301e+00 2.583981301e+00 2.24 1.946197707e+00 1.946197707e+00 2.26 1.315599196e+00 1.315599196e+00 2.28 6.993632129e-01 6.993632129e-01 2.30 1.047696361e-01 1.047696361e-01 2.32 -4.611112878e-01 -4.611112878e-01 2.34 -9.916850540e-01 -9.916850540e-01 2.36 -1.481054386e+00 -1.481054386e+00 2.38 -1.924201445e+00 -1.924201445e+00 2.40 -2.316645673e+00 -2.316645673e+00 2.42 -2.655273318e+00 -2.655273318e+00 2.44 -2.938790991e+00 -2.938790991e+00 2.46 -3.167379171e+00 -3.167379171e+00 2.48 -3.342813255e+00 -3.342813255e+00 2.50 -3.471343605e+00 -3.471343605e+00 2.52 -3.557595518e+00 -3.557595518e+00 2.54 -3.610367686e+00 -3.610367686e+00 2.56 -3.651170004e+00 -3.651170004e+00 2.58 -3.682780290e+00 -3.682780290e+00 2.60 -3.705957191e+00 -3.705957191e+00 2.62 -3.721406182e+00 -3.721406182e+00 2.64 -3.729783083e+00 -3.729783083e+00 2.66 -3.731697359e+00 -3.731697359e+00 2.68 -3.727715201e+00 -3.727715201e+00 2.70 -3.718362410e+00 -3.718362410e+00 2.72 -3.704127089e+00 -3.704127089e+00 2.74 -3.685462174e+00 -3.685462174e+00 2.76 -3.661730580e+00 -3.661730580e+00 2.78 -3.624994323e+00 -3.624994323e+00 2.80 -3.573968873e+00 -3.573968873e+00 2.82 -3.509288918e+00 -3.509288918e+00 2.84 -3.431714852e+00 -3.431714852e+00 2.86 -3.342129393e+00 -3.342129393e+00 2.88 -3.241533742e+00 -3.241533742e+00 2.90 -3.131042900e+00 -3.131042900e+00 2.92 -3.011879763e+00 -3.011879763e+00 2.94 -2.885367649e+00 -2.885367649e+00 2.96 -2.752920995e+00 -2.752920995e+00 2.98 -2.616034076e+00 -2.616034076e+00 3.00 -2.475797161e+00 -2.475797161e+00 3.02 -2.332319585e+00 -2.332319585e+00 3.04 -2.186631264e+00 -2.186631264e+00 3.06 -2.039912723e+00 -2.039912723e+00 3.08 -1.893464976e+00 -1.893464976e+00 3.10 -1.748736382e+00 -1.748736382e+00 3.12 -1.607351543e+00 -1.607351543e+00 3.14 -1.471136253e+00 -1.471136253e+00 3.16 -1.342126872e+00 -1.342126872e+00 3.18 -1.222546786e+00 -1.222546786e+00 3.20 -1.114730718e+00 -1.114730718e+00 3.22 -1.020985352e+00 -1.020985352e+00 3.24 -9.433946717e-01 -9.433946717e-01 3.26 -8.820598364e-01 -8.820598364e-01 3.28 -8.250329557e-01 -8.250329557e-01 3.30 -7.699234664e-01 -7.699234664e-01 3.32 -7.147132073e-01 -7.147132073e-01 3.34 -6.566446332e-01 -6.566446332e-01 3.36 -5.965989949e-01 -5.965989949e-01 3.38 -5.355836937e-01 -5.355836937e-01 3.40 -4.746920696e-01 -4.746920696e-01 3.42 -4.150767543e-01 -4.150767543e-01 3.44 -3.579138821e-01 -3.579138821e-01 3.46 -3.043587270e-01 -3.043587270e-01 3.48 -2.554948510e-01 -2.554948510e-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