# 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 = Co2MoPt # 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 2.426259833e+02 2.426259833e+02 1.30 2.243976984e+02 2.243976984e+02 1.32 2.074618229e+02 2.074618229e+02 1.34 1.917440380e+02 1.917440380e+02 1.36 1.771781060e+02 1.771781060e+02 1.38 1.636932402e+02 1.636932402e+02 1.40 1.512089636e+02 1.512089636e+02 1.42 1.396388378e+02 1.396388378e+02 1.44 1.288983644e+02 1.288983644e+02 1.46 1.189118920e+02 1.189118920e+02 1.48 1.096153881e+02 1.096153881e+02 1.50 1.009548197e+02 1.009548197e+02 1.52 9.288259660e+01 9.288259660e+01 1.54 8.535475483e+01 8.535475483e+01 1.56 7.832979161e+01 7.832979161e+01 1.58 7.176861778e+01 7.176861778e+01 1.60 6.563484344e+01 6.563484344e+01 1.62 5.989512284e+01 5.989512284e+01 1.64 5.451966079e+01 5.451966079e+01 1.66 4.948281517e+01 4.948281517e+01 1.68 4.476340436e+01 4.476340436e+01 1.70 4.034436833e+01 4.034436833e+01 1.72 3.621264156e+01 3.621264156e+01 1.74 3.238253672e+01 3.238253672e+01 1.76 2.888819867e+01 2.888819867e+01 1.78 2.570500561e+01 2.570500561e+01 1.80 2.280566773e+01 2.280566773e+01 1.82 2.016366889e+01 2.016366889e+01 1.84 1.775438980e+01 1.775438980e+01 1.86 1.555566910e+01 1.555566910e+01 1.88 1.354784433e+01 1.354784433e+01 1.90 1.171351470e+01 1.171351470e+01 1.92 1.003725337e+01 1.003725337e+01 1.94 8.505382975e+00 8.505382975e+00 1.96 7.105807091e+00 7.105807091e+00 1.98 5.827827922e+00 5.827827922e+00 2.00 4.661907139e+00 4.661907139e+00 2.02 3.599399665e+00 3.599399665e+00 2.04 2.632325655e+00 2.632325655e+00 2.06 1.753216004e+00 1.753216004e+00 2.08 9.550230360e-01 9.550230360e-01 2.10 2.310751003e-01 2.310751003e-01 2.12 -4.249356585e-01 -4.249356585e-01 2.14 -1.018933435e+00 -1.018933435e+00 2.16 -1.556411177e+00 -1.556411177e+00 2.18 -2.042372123e+00 -2.042372123e+00 2.20 -2.481286450e+00 -2.481286450e+00 2.22 -2.877084389e+00 -2.877084389e+00 2.24 -3.233190956e+00 -3.233190956e+00 2.26 -3.552591414e+00 -3.552591414e+00 2.28 -3.837910212e+00 -3.837910212e+00 2.30 -4.091489014e+00 -4.091489014e+00 2.32 -4.315455849e+00 -4.315455849e+00 2.34 -4.511782515e+00 -4.511782515e+00 2.36 -4.682330245e+00 -4.682330245e+00 2.38 -4.828884225e+00 -4.828884225e+00 2.40 -4.953177317e+00 -4.953177317e+00 2.42 -5.056903064e+00 -5.056903064e+00 2.44 -5.141662804e+00 -5.141662804e+00 2.46 -5.210251035e+00 -5.210251035e+00 2.48 -5.264608601e+00 -5.264608601e+00 2.50 -5.305955350e+00 -5.305955350e+00 2.52 -5.335489636e+00 -5.335489636e+00 2.54 -5.354374088e+00 -5.354374088e+00 2.56 -5.363716929e+00 -5.363716929e+00 2.58 -5.364546071e+00 -5.364546071e+00 2.60 -5.357709638e+00 -5.357709638e+00 2.62 -5.343814047e+00 -5.343814047e+00 2.64 -5.323324330e+00 -5.323324330e+00 2.66 -5.296490033e+00 -5.296490033e+00 2.68 -5.263485190e+00 -5.263485190e+00 2.70 -5.224428883e+00 -5.224428883e+00 2.72 -5.179409986e+00 -5.179409986e+00 2.74 -5.128510752e+00 -5.128510752e+00 2.76 -5.071824430e+00 -5.071824430e+00 2.78 -5.009465948e+00 -5.009465948e+00 2.80 -4.941551248e+00 -4.941551248e+00 2.82 -4.868156901e+00 -4.868156901e+00 2.84 -4.789405611e+00 -4.789405611e+00 2.86 -4.705487857e+00 -4.705487857e+00 2.88 -4.616671315e+00 -4.616671315e+00 2.90 -4.523312743e+00 -4.523312743e+00 2.92 -4.425868741e+00 -4.425868741e+00 2.94 -4.324900555e+00 -4.324900555e+00 2.96 -4.221067895e+00 -4.221067895e+00 2.98 -4.115108202e+00 -4.115108202e+00 3.00 -4.007801062e+00 -4.007801062e+00 3.02 -3.899921630e+00 -3.899921630e+00 3.04 -3.792190459e+00 -3.792190459e+00 3.06 -3.685275838e+00 -3.685275838e+00 3.08 -3.580008810e+00 -3.580008810e+00 3.10 -3.477039669e+00 -3.477039669e+00 3.12 -3.376695713e+00 -3.376695713e+00 3.14 -3.279053681e+00 -3.279053681e+00 3.16 -3.184014495e+00 -3.184014495e+00 3.18 -3.091370369e+00 -3.091370369e+00 3.20 -3.000859526e+00 -3.000859526e+00 3.22 -2.912207436e+00 -2.912207436e+00 3.24 -2.825155784e+00 -2.825155784e+00 3.26 -2.739481516e+00 -2.739481516e+00 3.28 -2.655008413e+00 -2.655008413e+00 3.30 -2.571613326e+00 -2.571613326e+00 3.32 -2.489228617e+00 -2.489228617e+00 3.34 -2.407841751e+00 -2.407841751e+00 3.36 -2.327492562e+00 -2.327492562e+00 3.38 -2.248268384e+00 -2.248268384e+00 3.40 -2.170297157e+00 -2.170297157e+00 3.42 -2.093738623e+00 -2.093738623e+00 3.44 -2.018773924e+00 -2.018773924e+00 3.46 -1.945594118e+00 -1.945594118e+00 3.48 -1.874388345e+00 -1.874388345e+00 3.50 -1.805332495e+00 -1.805332495e+00 3.52 -1.738579252e+00 -1.738579252e+00 3.54 -1.674250240e+00 -1.674250240e+00 3.56 -1.612430765e+00 -1.612430765e+00 3.58 -1.553167333e+00 -1.553167333e+00 3.60 -1.496467824e+00 -1.496467824e+00 3.62 -1.442303940e+00 -1.442303940e+00 3.64 -1.390615407e+00 -1.390615407e+00 3.66 -1.341315292e+00 -1.341315292e+00 3.68 -1.294295876e+00 -1.294295876e+00 3.70 -1.249434552e+00 -1.249434552e+00 3.72 -1.206599351e+00 -1.206599351e+00 3.74 -1.165653812e+00 -1.165653812e+00 3.76 -1.126461034e+00 -1.126461034e+00 3.78 -1.088886851e+00 -1.088886851e+00 3.80 -1.052802126e+00 -1.052802126e+00 3.82 -1.018084258e+00 -1.018084258e+00 3.84 -9.846180160e-01 -9.846180160e-01 3.86 -9.522958377e-01 -9.522958377e-01 3.88 -9.210177482e-01 -9.210177482e-01 3.90 -8.906910575e-01 -8.906910575e-01 3.92 -8.612299722e-01 -8.612299722e-01 3.94 -8.325552596e-01 -8.325552596e-01 3.96 -8.045940489e-01 -8.045940489e-01 3.98 -7.772798831e-01 -7.772798831e-01 4.00 -7.505530524e-01 -7.505530524e-01 4.02 -7.243612385e-01 -7.243612385e-01 4.04 -6.986604502e-01 -6.986604502e-01 4.06 -6.734161798e-01 -6.734161798e-01 4.08 -6.486046607e-01 -6.486046607e-01 4.10 -6.242140469e-01 -6.242140469e-01 4.12 -6.002453167e-01 -6.002453167e-01 4.14 -5.767126142e-01 -5.767126142e-01 4.16 -5.536428720e-01 -5.536428720e-01 4.18 -5.310745025e-01 -5.310745025e-01 4.20 -5.090551210e-01 -5.090551210e-01 4.22 -4.876383746e-01 -4.876383746e-01 4.24 -4.668800965e-01 -4.668800965e-01 4.26 -4.468341183e-01 -4.468341183e-01 4.28 -4.275481447e-01 -4.275481447e-01 4.30 -4.090600928e-01 -4.090600928e-01 4.32 -3.913952391e-01 -3.913952391e-01 4.34 -3.745644094e-01 -3.745644094e-01 4.36 -3.585633090e-01 -3.585633090e-01 4.38 -3.433729553e-01 -3.433729553e-01 4.40 -3.289610496e-01 -3.289610496e-01 4.42 -3.152840436e-01 -3.152840436e-01 4.44 -3.022896143e-01 -3.022896143e-01 4.46 -2.899192687e-01 -2.899192687e-01 4.48 -2.781108463e-01 -2.781108463e-01 4.50 -2.668007555e-01 -2.668007555e-01 4.52 -2.559258573e-01 -2.559258573e-01 4.54 -2.454249784e-01 -2.454249784e-01 4.56 -2.352400853e-01 -2.352400853e-01 4.58 -2.253171870e-01 -2.253171870e-01 4.60 -2.156070418e-01 -2.156070418e-01 4.62 -2.060657449e-01 -2.060657449e-01 4.64 -1.966552579e-01 -1.966552579e-01 4.66 -1.873439223e-01 -1.873439223e-01 4.68 -1.781069708e-01 -1.781069708e-01 4.70 -1.689270284e-01 -1.689270284e-01 4.72 -1.597945647e-01 -1.597945647e-01 4.74 -1.507082432e-01 -1.507082432e-01 4.76 -1.416750925e-01 -1.416750925e-01 4.78 -1.327104242e-01 -1.327104242e-01 4.80 -1.238374256e-01 -1.238374256e-01 4.82 -1.150863821e-01 -1.150863821e-01 4.84 -1.064935028e-01 -1.064935028e-01 4.86 -9.809938527e-02 -9.809938527e-02 4.88 -8.994717783e-02 -8.994717783e-02 4.90 -8.208055135e-02 -8.208055135e-02 4.92 -7.454160832e-02 -7.454160832e-02 4.94 -6.736888089e-02 -6.736888089e-02 4.96 -6.059555673e-02 -6.059555673e-02 4.98 -5.424805949e-02 -5.424805949e-02 5.00 -4.834506733e-02 -4.834506733e-02 5.02 -4.289701569e-02 -4.289701569e-02 5.04 -3.790608799e-02 -3.790608799e-02 5.06 -3.336665389e-02 -3.336665389e-02 5.08 -2.926634058e-02 -2.926634058e-02 5.10 -2.558671757e-02 -2.558671757e-02 5.12 -2.230425194e-02 -2.230425194e-02 5.14 -1.939214288e-02 -1.939214288e-02 5.16 -1.682149291e-02 -1.682149291e-02 5.18 -1.456221849e-02 -1.456221849e-02 5.20 -1.258471219e-02 -1.258471219e-02 5.22 -1.086011661e-02 -1.086011661e-02 5.24 -9.360830225e-03 -9.360830225e-03 5.26 -8.060950525e-03 -8.060950525e-03 5.28 -6.936550099e-03 -6.936550099e-03 5.30 -5.965815722e-03 -5.965815722e-03 5.32 -5.129080665e-03 -5.129080665e-03 5.34 -4.408778069e-03 -4.408778069e-03 5.36 -3.789339492e-03 -3.789339492e-03 5.38 -3.257058454e-03 -3.257058454e-03 5.40 -2.799934537e-03 -2.799934537e-03 5.42 -2.407509740e-03 -2.407509740e-03 5.44 -2.070705485e-03 -2.070705485e-03 5.46 -1.781665961e-03 -1.781665961e-03 5.48 -1.533611420e-03 -1.533611420e-03 5.50 -1.320703423e-03 -1.320703423e-03 5.52 -1.137922939e-03 -1.137922939e-03 5.54 -9.809613437e-04 -9.809613437e-04 5.56 -8.461238874e-04 -8.461238874e-04 5.58 -7.302448505e-04 -7.302448505e-04 5.60 -6.306134269e-04 -6.306134269e-04 5.62 -5.449093061e-04 -5.449093061e-04 5.64 -4.711469116e-04 -4.711469116e-04 5.66 -4.076272919e-04 -4.076272919e-04 5.68 -3.528967255e-04 -3.528967255e-04 5.70 -3.057111797e-04 -3.057111797e-04 5.72 -2.650058480e-04 -2.650058480e-04 5.74 -2.298690763e-04 -2.298690763e-04 5.76 -1.995200688e-04 -1.995200688e-04 5.78 -1.732898404e-04 -1.732898404e-04 5.80 -1.506049537e-04 -1.506049537e-04 5.82 -1.309736370e-04 -1.309736370e-04 5.84 -1.139739392e-04 -1.139739392e-04 5.86 -9.924362215e-05 -9.924362215e-05 5.88 -8.647153656e-05 -8.647153656e-05 5.90 -7.539026227e-05 -7.539026227e-05 5.92 -6.576982644e-05 -6.576982644e-05 5.94 -5.741234020e-05 -5.741234020e-05 5.96 -5.014741808e-05 -5.014741808e-05 5.98 -4.382826439e-05 -4.382826439e-05 6.00 -3.832832805e-05 -3.832832805e-05