# 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 = NbWZr2 # 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 2.985976509e+02 2.985976509e+02 1.08 2.772634868e+02 2.772634868e+02 1.10 2.579821437e+02 2.579821437e+02 1.12 2.411657654e+02 2.411657654e+02 1.14 2.248801330e+02 2.248801330e+02 1.16 2.098534302e+02 2.098534302e+02 1.18 1.961854943e+02 1.961854943e+02 1.20 1.831402118e+02 1.831402118e+02 1.22 1.712083199e+02 1.712083199e+02 1.24 1.604193065e+02 1.604193065e+02 1.26 1.504377736e+02 1.504377736e+02 1.28 1.413265848e+02 1.413265848e+02 1.30 1.329733211e+02 1.329733211e+02 1.32 1.250326063e+02 1.250326063e+02 1.34 1.176606576e+02 1.176606576e+02 1.36 1.105420709e+02 1.105420709e+02 1.38 1.039782868e+02 1.039782868e+02 1.40 9.764347087e+01 9.764347087e+01 1.42 9.146029262e+01 9.146029262e+01 1.44 8.567210705e+01 8.567210705e+01 1.46 8.026492567e+01 8.026492567e+01 1.48 7.529227994e+01 7.529227994e+01 1.50 7.048394061e+01 7.048394061e+01 1.52 6.581550858e+01 6.581550858e+01 1.54 6.136917081e+01 6.136917081e+01 1.56 5.712340241e+01 5.712340241e+01 1.58 5.310220291e+01 5.310220291e+01 1.60 4.940612919e+01 4.940612919e+01 1.62 4.595873016e+01 4.595873016e+01 1.64 4.264802542e+01 4.264802542e+01 1.66 3.945755106e+01 3.945755106e+01 1.68 3.631019550e+01 3.631019550e+01 1.70 3.334332655e+01 3.334332655e+01 1.72 3.072681925e+01 3.072681925e+01 1.74 2.838572057e+01 2.838572057e+01 1.76 2.623828816e+01 2.623828816e+01 1.78 2.429201620e+01 2.429201620e+01 1.80 2.240326307e+01 2.240326307e+01 1.82 2.056344307e+01 2.056344307e+01 1.84 1.885484699e+01 1.885484699e+01 1.86 1.721161158e+01 1.721161158e+01 1.88 1.563878003e+01 1.563878003e+01 1.90 1.411358793e+01 1.411358793e+01 1.92 1.270415122e+01 1.270415122e+01 1.94 1.150067218e+01 1.150067218e+01 1.96 1.049321405e+01 1.049321405e+01 1.98 9.539988651e+00 9.539988651e+00 2.00 8.549577884e+00 8.549577884e+00 2.02 7.599614331e+00 7.599614331e+00 2.04 6.789420580e+00 6.789420580e+00 2.06 6.107535753e+00 6.107535753e+00 2.08 5.497312960e+00 5.497312960e+00 2.10 4.980152935e+00 4.980152935e+00 2.12 4.550460155e+00 4.550460155e+00 2.14 4.103737969e+00 4.103737969e+00 2.16 3.650494374e+00 3.650494374e+00 2.18 3.185030179e+00 3.185030179e+00 2.20 2.660179278e+00 2.660179278e+00 2.22 2.110218172e+00 2.110218172e+00 2.24 1.582945513e+00 1.582945513e+00 2.26 1.074355376e+00 1.074355376e+00 2.28 5.860450487e-01 5.860450487e-01 2.30 1.365756991e-01 1.365756991e-01 2.32 -3.885065666e-01 -3.885065666e-01 2.34 -9.972639587e-01 -9.972639587e-01 2.36 -1.533549007e+00 -1.533549007e+00 2.38 -2.012988583e+00 -2.012988583e+00 2.40 -2.483881360e+00 -2.483881360e+00 2.42 -2.927874959e+00 -2.927874959e+00 2.44 -3.301272935e+00 -3.301272935e+00 2.46 -3.654905219e+00 -3.654905219e+00 2.48 -4.014965631e+00 -4.014965631e+00 2.50 -4.351508678e+00 -4.351508678e+00 2.52 -4.649787793e+00 -4.649787793e+00 2.54 -4.917682110e+00 -4.917682110e+00 2.56 -5.155733884e+00 -5.155733884e+00 2.58 -5.370001755e+00 -5.370001755e+00 2.60 -5.583817311e+00 -5.583817311e+00 2.62 -5.811902547e+00 -5.811902547e+00 2.64 -6.044117486e+00 -6.044117486e+00 2.66 -6.265146259e+00 -6.265146259e+00 2.68 -6.459881078e+00 -6.459881078e+00 2.70 -6.607579234e+00 -6.607579234e+00 2.72 -6.717461982e+00 -6.717461982e+00 2.74 -6.806975129e+00 -6.806975129e+00 2.76 -6.888505213e+00 -6.888505213e+00 2.78 -6.966399856e+00 -6.966399856e+00 2.80 -7.039593705e+00 -7.039593705e+00 2.82 -7.103249508e+00 -7.103249508e+00 2.84 -7.150716183e+00 -7.150716183e+00 2.86 -7.182192495e+00 -7.182192495e+00 2.88 -7.205575499e+00 -7.205575499e+00 2.90 -7.228839649e+00 -7.228839649e+00 2.92 -7.242318500e+00 -7.242318500e+00 2.94 -7.246470035e+00 -7.246470035e+00 2.96 -7.252390253e+00 -7.252390253e+00 2.98 -7.260345831e+00 -7.260345831e+00 3.00 -7.252330269e+00 -7.252330269e+00 3.02 -7.223181189e+00 -7.223181189e+00 3.04 -7.173612211e+00 -7.173612211e+00 3.06 -7.103906759e+00 -7.103906759e+00 3.08 -7.030670717e+00 -7.030670717e+00 3.10 -6.970153769e+00 -6.970153769e+00 3.12 -6.926749175e+00 -6.926749175e+00 3.14 -6.881260637e+00 -6.881260637e+00 3.16 -6.829816222e+00 -6.829816222e+00 3.18 -6.769759977e+00 -6.769759977e+00 3.20 -6.703177596e+00 -6.703177596e+00 3.22 -6.646950803e+00 -6.646950803e+00 3.24 -6.611025958e+00 -6.611025958e+00 3.26 -6.586694081e+00 -6.586694081e+00 3.28 -6.557063264e+00 -6.557063264e+00 3.30 -6.512553693e+00 -6.512553693e+00 3.32 -6.456140253e+00 -6.456140253e+00 3.34 -6.381317910e+00 -6.381317910e+00 3.36 -6.292167122e+00 -6.292167122e+00 3.38 -6.200920174e+00 -6.200920174e+00 3.40 -6.115158154e+00 -6.115158154e+00 3.42 -6.039125331e+00 -6.039125331e+00 3.44 -5.966552909e+00 -5.966552909e+00 3.46 -5.881972986e+00 -5.881972986e+00 3.48 -5.788745141e+00 -5.788745141e+00 3.50 -5.700492603e+00 -5.700492603e+00 3.52 -5.622171943e+00 -5.622171943e+00 3.54 -5.559378047e+00 -5.559378047e+00 3.56 -5.517315350e+00 -5.517315350e+00 3.58 -5.493906668e+00 -5.493906668e+00 3.60 -5.479558331e+00 -5.479558331e+00 3.62 -5.464052878e+00 -5.464052878e+00 3.64 -5.437368260e+00 -5.437368260e+00 3.66 -5.396007445e+00 -5.396007445e+00 3.68 -5.344569873e+00 -5.344569873e+00 3.70 -5.287891577e+00 -5.287891577e+00 3.72 -5.229833277e+00 -5.229833277e+00 3.74 -5.168943406e+00 -5.168943406e+00 3.76 -5.094014107e+00 -5.094014107e+00 3.78 -4.998281249e+00 -4.998281249e+00 3.80 -4.892490240e+00 -4.892490240e+00 3.82 -4.792933869e+00 -4.792933869e+00 3.84 -4.674640945e+00 -4.674640945e+00 3.86 -4.491759317e+00 -4.491759317e+00 3.88 -4.213247370e+00 -4.213247370e+00 3.90 -3.895786340e+00 -3.895786340e+00 3.92 -3.585667111e+00 -3.585667111e+00 3.94 -3.283516104e+00 -3.283516104e+00 3.96 -3.053660163e+00 -3.053660163e+00 3.98 -2.919577505e+00 -2.919577505e+00 4.00 -2.813331463e+00 -2.813331463e+00 4.02 -2.702274634e+00 -2.702274634e+00 4.04 -2.597654424e+00 -2.597654424e+00 4.06 -2.506944547e+00 -2.506944547e+00 4.08 -2.428505827e+00 -2.428505827e+00 4.10 -2.359323071e+00 -2.359323071e+00 4.12 -2.297836427e+00 -2.297836427e+00 4.14 -2.243842555e+00 -2.243842555e+00 4.16 -2.197318264e+00 -2.197318264e+00 4.18 -2.158114655e+00 -2.158114655e+00 4.20 -2.126097999e+00 -2.126097999e+00 4.22 -2.101615269e+00 -2.101615269e+00 4.24 -2.083947882e+00 -2.083947882e+00 4.26 -2.071321296e+00 -2.071321296e+00 4.28 -2.061909288e+00 -2.061909288e+00 4.30 -2.053862994e+00 -2.053862994e+00 4.32 -2.045306478e+00 -2.045306478e+00 4.34 -2.034579337e+00 -2.034579337e+00 4.36 -2.021446810e+00 -2.021446810e+00 4.38 -2.006298987e+00 -2.006298987e+00 4.40 -1.989563024e+00 -1.989563024e+00 4.42 -1.971730447e+00 -1.971730447e+00 4.44 -1.953364887e+00 -1.953364887e+00 4.46 -1.934997635e+00 -1.934997635e+00 4.48 -1.916816084e+00 -1.916816084e+00 4.50 -1.898993877e+00 -1.898993877e+00 4.52 -1.881715317e+00 -1.881715317e+00 4.54 -1.865138352e+00 -1.865138352e+00 4.56 -1.849392484e+00 -1.849392484e+00 4.58 -1.834369630e+00 -1.834369630e+00 4.60 -1.819482086e+00 -1.819482086e+00 4.62 -1.804054584e+00 -1.804054584e+00 4.64 -1.787395679e+00 -1.787395679e+00 4.66 -1.768788632e+00 -1.768788632e+00 4.68 -1.747513714e+00 -1.747513714e+00 4.70 -1.723221262e+00 -1.723221262e+00 4.72 -1.696169401e+00 -1.696169401e+00 4.74 -1.666884509e+00 -1.666884509e+00 4.76 -1.636042441e+00 -1.636042441e+00 4.78 -1.604566493e+00 -1.604566493e+00 4.80 -1.573398237e+00 -1.573398237e+00 4.82 -1.542760464e+00 -1.542760464e+00 4.84 -1.512267921e+00 -1.512267921e+00 4.86 -1.481420931e+00 -1.481420931e+00 4.88 -1.449695947e+00 -1.449695947e+00 4.90 -1.416817526e+00 -1.416817526e+00 4.92 -1.382886710e+00 -1.382886710e+00 4.94 -1.349584926e+00 -1.349584926e+00 4.96 -1.319207220e+00 -1.319207220e+00 4.98 -1.293821619e+00 -1.293821619e+00 5.00 -1.275182502e+00 -1.275182502e+00 5.02 -1.264393752e+00 -1.264393752e+00 5.04 -1.261278604e+00 -1.261278604e+00 5.06 -1.263280851e+00 -1.263280851e+00 5.08 -1.267235869e+00 -1.267235869e+00 5.10 -1.269810222e+00 -1.269810222e+00 5.12 -1.267474755e+00 -1.267474755e+00 5.14 -1.256802869e+00 -1.256802869e+00 5.16 -1.236767248e+00 -1.236767248e+00 5.18 -1.209531759e+00 -1.209531759e+00 5.20 -1.176713977e+00 -1.176713977e+00 5.22 -1.138373630e+00 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-6.246181696e-01 -6.246181696e-01 5.76 -6.013634455e-01 -6.013634455e-01 5.78 -5.776211715e-01 -5.776211715e-01 5.80 -5.533927035e-01 -5.533927035e-01 5.82 -5.284265517e-01 -5.284265517e-01 5.84 -5.022284493e-01 -5.022284493e-01 5.86 -4.746890590e-01 -4.746890590e-01 5.88 -4.460213875e-01 -4.460213875e-01 5.90 -4.174451795e-01 -4.174451795e-01 5.92 -3.904050429e-01 -3.904050429e-01 5.94 -3.648967657e-01 -3.648967657e-01 5.96 -3.406203168e-01 -3.406203168e-01 5.98 -3.167687454e-01 -3.167687454e-01 6.00 -2.924828543e-01 -2.924828543e-01