# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = NbTi2Zr # 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 2025-12-17 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 3.036564552e+03 3.036564552e+03 1.08 2.665254717e+03 2.665254717e+03 1.10 2.340151044e+03 2.340151044e+03 1.12 2.055111966e+03 2.055111966e+03 1.14 1.804773549e+03 1.804773549e+03 1.16 1.585348926e+03 1.585348926e+03 1.18 1.393241493e+03 1.393241493e+03 1.20 1.225043247e+03 1.225043247e+03 1.22 1.077434155e+03 1.077434155e+03 1.24 9.476766371e+02 9.476766371e+02 1.26 8.336539186e+02 8.336539186e+02 1.28 7.335483497e+02 7.335483497e+02 1.30 6.457331574e+02 6.457331574e+02 1.32 5.684069861e+02 5.684069861e+02 1.34 5.003642019e+02 5.003642019e+02 1.36 4.404894522e+02 4.404894522e+02 1.38 3.878767949e+02 3.878767949e+02 1.40 3.416164125e+02 3.416164125e+02 1.42 3.009129176e+02 3.009129176e+02 1.44 2.650702853e+02 2.650702853e+02 1.46 2.335055759e+02 2.335055759e+02 1.48 2.057918513e+02 2.057918513e+02 1.50 1.814501431e+02 1.814501431e+02 1.52 1.600606349e+02 1.600606349e+02 1.54 1.412257094e+02 1.412257094e+02 1.56 1.246274110e+02 1.246274110e+02 1.58 1.100476653e+02 1.100476653e+02 1.60 9.727774761e+01 9.727774761e+01 1.62 8.603267002e+01 8.603267002e+01 1.64 7.609493666e+01 7.609493666e+01 1.66 6.730681297e+01 6.730681297e+01 1.68 5.949868272e+01 5.949868272e+01 1.70 5.256354623e+01 5.256354623e+01 1.72 4.641604430e+01 4.641604430e+01 1.74 4.096566758e+01 4.096566758e+01 1.76 3.620063295e+01 3.620063295e+01 1.78 3.202408255e+01 3.202408255e+01 1.80 2.829663615e+01 2.829663615e+01 1.82 2.497305721e+01 2.497305721e+01 1.84 2.202370762e+01 2.202370762e+01 1.86 1.942178713e+01 1.942178713e+01 1.88 1.713465741e+01 1.713465741e+01 1.90 1.513072685e+01 1.513072685e+01 1.92 1.338068400e+01 1.338068400e+01 1.94 1.184644372e+01 1.184644372e+01 1.96 1.049134307e+01 1.049134307e+01 1.98 9.292298367e+00 9.292298367e+00 2.00 8.234611386e+00 8.234611386e+00 2.02 7.305584771e+00 7.305584771e+00 2.04 6.480914638e+00 6.480914638e+00 2.06 5.706304053e+00 5.706304053e+00 2.08 4.963368564e+00 4.963368564e+00 2.10 4.278332227e+00 4.278332227e+00 2.12 3.624331412e+00 3.624331412e+00 2.14 2.941124599e+00 2.941124599e+00 2.16 2.298897295e+00 2.298897295e+00 2.18 1.495521856e+00 1.495521856e+00 2.20 7.193631979e-01 7.193631979e-01 2.22 6.049415549e-03 6.049415549e-03 2.24 -5.551164605e-01 -5.551164605e-01 2.26 -1.036570810e+00 -1.036570810e+00 2.28 -1.393925698e+00 -1.393925698e+00 2.30 -1.689531082e+00 -1.689531082e+00 2.32 -1.961342927e+00 -1.961342927e+00 2.34 -2.210640520e+00 -2.210640520e+00 2.36 -2.433846537e+00 -2.433846537e+00 2.38 -2.649150747e+00 -2.649150747e+00 2.40 -2.887511798e+00 -2.887511798e+00 2.42 -3.149326746e+00 -3.149326746e+00 2.44 -3.405261223e+00 -3.405261223e+00 2.46 -3.646850300e+00 -3.646850300e+00 2.48 -3.870535938e+00 -3.870535938e+00 2.50 -4.076840031e+00 -4.076840031e+00 2.52 -4.268480975e+00 -4.268480975e+00 2.54 -4.443961833e+00 -4.443961833e+00 2.56 -4.601993619e+00 -4.601993619e+00 2.58 -4.745697088e+00 -4.745697088e+00 2.60 -4.886547525e+00 -4.886547525e+00 2.62 -5.031651974e+00 -5.031651974e+00 2.64 -5.180438164e+00 -5.180438164e+00 2.66 -5.320309576e+00 -5.320309576e+00 2.68 -5.438602812e+00 -5.438602812e+00 2.70 -5.532565989e+00 -5.532565989e+00 2.72 -5.607190658e+00 -5.607190658e+00 2.74 -5.667554802e+00 -5.667554802e+00 2.76 -5.716056199e+00 -5.716056199e+00 2.78 -5.755174693e+00 -5.755174693e+00 2.80 -5.788462932e+00 -5.788462932e+00 2.82 -5.817763052e+00 -5.817763052e+00 2.84 -5.838910943e+00 -5.838910943e+00 2.86 -5.848545995e+00 -5.848545995e+00 2.88 -5.849952851e+00 -5.849952851e+00 2.90 -5.846180535e+00 -5.846180535e+00 2.92 -5.840286480e+00 -5.840286480e+00 2.94 -5.833959002e+00 -5.833959002e+00 2.96 -5.825341323e+00 -5.825341323e+00 2.98 -5.811528697e+00 -5.811528697e+00 3.00 -5.796299813e+00 -5.796299813e+00 3.02 -5.778845735e+00 -5.778845735e+00 3.04 -5.749472981e+00 -5.749472981e+00 3.06 -5.712335731e+00 -5.712335731e+00 3.08 -5.674471807e+00 -5.674471807e+00 3.10 -5.633871738e+00 -5.633871738e+00 3.12 -5.587889689e+00 -5.587889689e+00 3.14 -5.538861913e+00 -5.538861913e+00 3.16 -5.489099224e+00 -5.489099224e+00 3.18 -5.433963489e+00 -5.433963489e+00 3.20 -5.375995846e+00 -5.375995846e+00 3.22 -5.323443966e+00 -5.323443966e+00 3.24 -5.284063905e+00 -5.284063905e+00 3.26 -5.250695296e+00 -5.250695296e+00 3.28 -5.215651912e+00 -5.215651912e+00 3.30 -5.175767436e+00 -5.175767436e+00 3.32 -5.128670582e+00 -5.128670582e+00 3.34 -5.075018406e+00 -5.075018406e+00 3.36 -5.016594866e+00 -5.016594866e+00 3.38 -4.952420505e+00 -4.952420505e+00 3.40 -4.862178963e+00 -4.862178963e+00 3.42 -4.732741397e+00 -4.732741397e+00 3.44 -4.611598061e+00 -4.611598061e+00 3.46 -4.468674168e+00 -4.468674168e+00 3.48 -4.264522312e+00 -4.264522312e+00 3.50 -4.032699497e+00 -4.032699497e+00 3.52 -3.817592015e+00 -3.817592015e+00 3.54 -3.622053196e+00 -3.622053196e+00 3.56 -3.474724034e+00 -3.474724034e+00 3.58 -3.379848313e+00 -3.379848313e+00 3.60 -3.307524724e+00 -3.307524724e+00 3.62 -3.239600824e+00 -3.239600824e+00 3.64 -3.173532080e+00 -3.173532080e+00 3.66 -3.110479496e+00 -3.110479496e+00 3.68 -3.050840276e+00 -3.050840276e+00 3.70 -2.993692792e+00 -2.993692792e+00 3.72 -2.937906544e+00 -2.937906544e+00 3.74 -2.884089675e+00 -2.884089675e+00 3.76 -2.834992381e+00 -2.834992381e+00 3.78 -2.793759926e+00 -2.793759926e+00 3.80 -2.763039569e+00 -2.763039569e+00 3.82 -2.737050454e+00 -2.737050454e+00 3.84 -2.711811765e+00 -2.711811765e+00 3.86 -2.685702836e+00 -2.685702836e+00 3.88 -2.656954084e+00 -2.656954084e+00 3.90 -2.623493474e+00 -2.623493474e+00 3.92 -2.583116031e+00 -2.583116031e+00 3.94 -2.534906964e+00 -2.534906964e+00 3.96 -2.480974417e+00 -2.480974417e+00 3.98 -2.423989077e+00 -2.423989077e+00 4.00 -2.366053938e+00 -2.366053938e+00 4.02 -2.307456043e+00 -2.307456043e+00 4.04 -2.248965565e+00 -2.248965565e+00 4.06 -2.192996594e+00 -2.192996594e+00 4.08 -2.142394732e+00 -2.142394732e+00 4.10 -2.097697176e+00 -2.097697176e+00 4.12 -2.058420212e+00 -2.058420212e+00 4.14 -2.023561578e+00 -2.023561578e+00 4.16 -1.991905950e+00 -1.991905950e+00 4.18 -1.962151488e+00 -1.962151488e+00 4.20 -1.933086632e+00 -1.933086632e+00 4.22 -1.904511670e+00 -1.904511670e+00 4.24 -1.876679616e+00 -1.876679616e+00 4.26 -1.849825517e+00 -1.849825517e+00 4.28 -1.824194432e+00 -1.824194432e+00 4.30 -1.800050330e+00 -1.800050330e+00 4.32 -1.777685193e+00 -1.777685193e+00 4.34 -1.757260331e+00 -1.757260331e+00 4.36 -1.738390673e+00 -1.738390673e+00 4.38 -1.720582207e+00 -1.720582207e+00 4.40 -1.703371256e+00 -1.703371256e+00 4.42 -1.686329814e+00 -1.686329814e+00 4.44 -1.669058382e+00 -1.669058382e+00 4.46 -1.651298037e+00 -1.651298037e+00 4.48 -1.633137829e+00 -1.633137829e+00 4.50 -1.614698015e+00 -1.614698015e+00 4.52 -1.596065051e+00 -1.596065051e+00 4.54 -1.577301627e+00 -1.577301627e+00 4.56 -1.558462700e+00 -1.558462700e+00 4.58 -1.539276666e+00 -1.539276666e+00 4.60 -1.518937825e+00 -1.518937825e+00 4.62 -1.496896305e+00 -1.496896305e+00 4.64 -1.472828267e+00 -1.472828267e+00 4.66 -1.446409955e+00 -1.446409955e+00 4.68 -1.417325248e+00 -1.417325248e+00 4.70 -1.385643989e+00 -1.385643989e+00 4.72 -1.351826915e+00 -1.351826915e+00 4.74 -1.316326650e+00 -1.316326650e+00 4.76 -1.279482823e+00 -1.279482823e+00 4.78 -1.241657440e+00 -1.241657440e+00 4.80 -1.203278531e+00 -1.203278531e+00 4.82 -1.164633106e+00 -1.164633106e+00 4.84 -1.125950663e+00 -1.125950663e+00 4.86 -1.087542186e+00 -1.087542186e+00 4.88 -1.049698587e+00 -1.049698587e+00 4.90 -1.012516699e+00 -1.012516699e+00 4.92 -9.760753494e-01 -9.760753494e-01 4.94 -9.406512992e-01 -9.406512992e-01 4.96 -9.061442156e-01 -9.061442156e-01 4.98 -8.722814590e-01 -8.722814590e-01 5.00 -8.387735838e-01 -8.387735838e-01 5.02 -8.055190876e-01 -8.055190876e-01 5.04 -7.726046948e-01 -7.726046948e-01 5.06 -7.400818843e-01 -7.400818843e-01 5.08 -7.083196780e-01 -7.083196780e-01 5.10 -6.781217017e-01 -6.781217017e-01 5.12 -6.507202917e-01 -6.507202917e-01 5.14 -6.276166352e-01 -6.276166352e-01 5.16 -6.092685982e-01 -6.092685982e-01 5.18 -5.945321382e-01 -5.945321382e-01 5.20 -5.817955417e-01 -5.817955417e-01 5.22 -5.691791054e-01 -5.691791054e-01 5.24 -5.546040562e-01 -5.546040562e-01 5.26 -5.359008609e-01 -5.359008609e-01 5.28 -5.129025033e-01 -5.129025033e-01 5.30 -4.879905844e-01 -4.879905844e-01 5.32 -4.641121807e-01 -4.641121807e-01 5.34 -4.441224100e-01 -4.441224100e-01 5.36 -4.307267943e-01 -4.307267943e-01 5.38 -4.242118281e-01 -4.242118281e-01 5.40 -4.169473561e-01 -4.169473561e-01 5.42 -4.079899428e-01 -4.079899428e-01 5.44 -3.974699056e-01 -3.974699056e-01 5.46 -3.855399136e-01 -3.855399136e-01 5.48 -3.723540494e-01 -3.723540494e-01 5.50 -3.580701752e-01 -3.580701752e-01 5.52 -3.428497204e-01 -3.428497204e-01 5.54 -3.268514563e-01 -3.268514563e-01 5.56 -3.100540892e-01 -3.100540892e-01 5.58 -2.923277215e-01 -2.923277215e-01 5.60 -2.734208740e-01 -2.734208740e-01 5.62 -2.532817974e-01 -2.532817974e-01 5.64 -2.321646121e-01 -2.321646121e-01 5.66 -2.086827334e-01 -2.086827334e-01 5.68 -1.788978453e-01 -1.788978453e-01 5.70 -1.441442652e-01 -1.441442652e-01 5.72 -1.122384173e-01 -1.122384173e-01 5.74 -9.056124868e-02 -9.056124868e-02 5.76 -8.347412500e-02 -8.347412500e-02 5.78 -9.073194400e-02 -9.073194400e-02 5.80 -1.072224180e-01 -1.072224180e-01 5.82 -1.245355989e-01 -1.245355989e-01 5.84 -1.343630067e-01 -1.343630067e-01 5.86 -1.312795474e-01 -1.312795474e-01 5.88 -1.145481835e-01 -1.145481835e-01 5.90 -8.898421711e-02 -8.898421711e-02 5.92 -6.438188388e-02 -6.438188388e-02 5.94 -5.292515820e-02 -5.292515820e-02 5.96 -6.259484878e-02 -6.259484878e-02 5.98 -8.706777362e-02 -8.706777362e-02 6.00 -1.095951480e-01 -1.095951480e-01