# 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 = Mo2NbW # 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 7.571302966e+02 7.571302966e+02 1.08 6.892047538e+02 6.892047538e+02 1.10 6.287258832e+02 6.287258832e+02 1.12 5.746275267e+02 5.746275267e+02 1.14 5.259174379e+02 5.259174379e+02 1.16 4.817718396e+02 4.817718396e+02 1.18 4.409228106e+02 4.409228106e+02 1.20 4.032978508e+02 4.032978508e+02 1.22 3.696244661e+02 3.696244661e+02 1.24 3.392855487e+02 3.392855487e+02 1.26 3.116997815e+02 3.116997815e+02 1.28 2.867856950e+02 2.867856950e+02 1.30 2.641757914e+02 2.641757914e+02 1.32 2.434439950e+02 2.434439950e+02 1.34 2.246773575e+02 2.246773575e+02 1.36 2.073934984e+02 2.073934984e+02 1.38 1.916500288e+02 1.916500288e+02 1.40 1.772124728e+02 1.772124728e+02 1.42 1.637332942e+02 1.637332942e+02 1.44 1.511493314e+02 1.511493314e+02 1.46 1.395770614e+02 1.395770614e+02 1.48 1.291784848e+02 1.291784848e+02 1.50 1.195662129e+02 1.195662129e+02 1.52 1.104675590e+02 1.104675590e+02 1.54 1.018909488e+02 1.018909488e+02 1.56 9.397565679e+01 9.397565679e+01 1.58 8.669513404e+01 8.669513404e+01 1.60 8.010447796e+01 8.010447796e+01 1.62 7.390937452e+01 7.390937452e+01 1.64 6.799616986e+01 6.799616986e+01 1.66 6.247628118e+01 6.247628118e+01 1.68 5.735540795e+01 5.735540795e+01 1.70 5.263836210e+01 5.263836210e+01 1.72 4.832194580e+01 4.832194580e+01 1.74 4.437307609e+01 4.437307609e+01 1.76 4.081510360e+01 4.081510360e+01 1.78 3.760604125e+01 3.760604125e+01 1.80 3.453959914e+01 3.453959914e+01 1.82 3.163297679e+01 3.163297679e+01 1.84 2.891294400e+01 2.891294400e+01 1.86 2.636183954e+01 2.636183954e+01 1.88 2.394525645e+01 2.394525645e+01 1.90 2.164688790e+01 2.164688790e+01 1.92 1.946711593e+01 1.946711593e+01 1.94 1.740614635e+01 1.740614635e+01 1.96 1.546148324e+01 1.546148324e+01 1.98 1.361943027e+01 1.361943027e+01 2.00 1.186260410e+01 1.186260410e+01 2.02 1.014108460e+01 1.014108460e+01 2.04 8.661921775e+00 8.661921775e+00 2.06 7.358012819e+00 7.358012819e+00 2.08 6.203566712e+00 6.203566712e+00 2.10 5.233700951e+00 5.233700951e+00 2.12 4.439961117e+00 4.439961117e+00 2.14 3.758761840e+00 3.758761840e+00 2.16 3.126295584e+00 3.126295584e+00 2.18 2.521539341e+00 2.521539341e+00 2.20 1.946397195e+00 1.946397195e+00 2.22 1.365704528e+00 1.365704528e+00 2.24 7.601328717e-01 7.601328717e-01 2.26 1.958980613e-01 1.958980613e-01 2.28 -4.054834912e-01 -4.054834912e-01 2.30 -1.312611110e+00 -1.312611110e+00 2.32 -2.010450926e+00 -2.010450926e+00 2.34 -2.557815103e+00 -2.557815103e+00 2.36 -3.162054234e+00 -3.162054234e+00 2.38 -3.637682257e+00 -3.637682257e+00 2.40 -4.061948767e+00 -4.061948767e+00 2.42 -4.480566292e+00 -4.480566292e+00 2.44 -4.849558175e+00 -4.849558175e+00 2.46 -5.182909889e+00 -5.182909889e+00 2.48 -5.484013412e+00 -5.484013412e+00 2.50 -5.750288386e+00 -5.750288386e+00 2.52 -5.981475036e+00 -5.981475036e+00 2.54 -6.212322434e+00 -6.212322434e+00 2.56 -6.445699152e+00 -6.445699152e+00 2.58 -6.674841100e+00 -6.674841100e+00 2.60 -6.883542068e+00 -6.883542068e+00 2.62 -7.054082130e+00 -7.054082130e+00 2.64 -7.186362718e+00 -7.186362718e+00 2.66 -7.288936671e+00 -7.288936671e+00 2.68 -7.372497793e+00 -7.372497793e+00 2.70 -7.443847416e+00 -7.443847416e+00 2.72 -7.502167628e+00 -7.502167628e+00 2.74 -7.544506500e+00 -7.544506500e+00 2.76 -7.567066212e+00 -7.567066212e+00 2.78 -7.570710948e+00 -7.570710948e+00 2.80 -7.557275834e+00 -7.557275834e+00 2.82 -7.528977546e+00 -7.528977546e+00 2.84 -7.490286348e+00 -7.490286348e+00 2.86 -7.441049865e+00 -7.441049865e+00 2.88 -7.377797905e+00 -7.377797905e+00 2.90 -7.305070229e+00 -7.305070229e+00 2.92 -7.229697124e+00 -7.229697124e+00 2.94 -7.150398267e+00 -7.150398267e+00 2.96 -7.061149421e+00 -7.061149421e+00 2.98 -6.957662482e+00 -6.957662482e+00 3.00 -6.843754986e+00 -6.843754986e+00 3.02 -6.726770427e+00 -6.726770427e+00 3.04 -6.614419006e+00 -6.614419006e+00 3.06 -6.509246966e+00 -6.509246966e+00 3.08 -6.407616095e+00 -6.407616095e+00 3.10 -6.315621272e+00 -6.315621272e+00 3.12 -6.207232032e+00 -6.207232032e+00 3.14 -6.070047663e+00 -6.070047663e+00 3.16 -5.924034629e+00 -5.924034629e+00 3.18 -5.789994595e+00 -5.789994595e+00 3.20 -5.679569600e+00 -5.679569600e+00 3.22 -5.607962972e+00 -5.607962972e+00 3.24 -5.572838340e+00 -5.572838340e+00 3.26 -5.544712421e+00 -5.544712421e+00 3.28 -5.502083155e+00 -5.502083155e+00 3.30 -5.435953326e+00 -5.435953326e+00 3.32 -5.347560116e+00 -5.347560116e+00 3.34 -5.244160551e+00 -5.244160551e+00 3.36 -5.128788909e+00 -5.128788909e+00 3.38 -5.001928525e+00 -5.001928525e+00 3.40 -4.882399554e+00 -4.882399554e+00 3.42 -4.770255365e+00 -4.770255365e+00 3.44 -4.664402139e+00 -4.664402139e+00 3.46 -4.566424416e+00 -4.566424416e+00 3.48 -4.474521366e+00 -4.474521366e+00 3.50 -4.388646255e+00 -4.388646255e+00 3.52 -4.312102730e+00 -4.312102730e+00 3.54 -4.248840327e+00 -4.248840327e+00 3.56 -4.202852027e+00 -4.202852027e+00 3.58 -4.173296146e+00 -4.173296146e+00 3.60 -4.152891418e+00 -4.152891418e+00 3.62 -4.133577583e+00 -4.133577583e+00 3.64 -4.107247317e+00 -4.107247317e+00 3.66 -4.070855532e+00 -4.070855532e+00 3.68 -4.025569098e+00 -4.025569098e+00 3.70 -3.970565330e+00 -3.970565330e+00 3.72 -3.904931092e+00 -3.904931092e+00 3.74 -3.828603543e+00 -3.828603543e+00 3.76 -3.740220605e+00 -3.740220605e+00 3.78 -3.635521200e+00 -3.635521200e+00 3.80 -3.511935055e+00 -3.511935055e+00 3.82 -3.359994968e+00 -3.359994968e+00 3.84 -3.188841664e+00 -3.188841664e+00 3.86 -3.006278859e+00 -3.006278859e+00 3.88 -2.810799753e+00 -2.810799753e+00 3.90 -2.611715297e+00 -2.611715297e+00 3.92 -2.419535075e+00 -2.419535075e+00 3.94 -2.241427782e+00 -2.241427782e+00 3.96 -2.085444062e+00 -2.085444062e+00 3.98 -1.955885456e+00 -1.955885456e+00 4.00 -1.847003427e+00 -1.847003427e+00 4.02 -1.752539227e+00 -1.752539227e+00 4.04 -1.667961556e+00 -1.667961556e+00 4.06 -1.591387276e+00 -1.591387276e+00 4.08 -1.523609848e+00 -1.523609848e+00 4.10 -1.465643081e+00 -1.465643081e+00 4.12 -1.417778865e+00 -1.417778865e+00 4.14 -1.380375679e+00 -1.380375679e+00 4.16 -1.353364021e+00 -1.353364021e+00 4.18 -1.336506035e+00 -1.336506035e+00 4.20 -1.329753251e+00 -1.329753251e+00 4.22 -1.334094364e+00 -1.334094364e+00 4.24 -1.348834879e+00 -1.348834879e+00 4.26 -1.371686359e+00 -1.371686359e+00 4.28 -1.400281059e+00 -1.400281059e+00 4.30 -1.432213198e+00 -1.432213198e+00 4.32 -1.465042392e+00 -1.465042392e+00 4.34 -1.496494126e+00 -1.496494126e+00 4.36 -1.525756813e+00 -1.525756813e+00 4.38 -1.552679733e+00 -1.552679733e+00 4.40 -1.577112112e+00 -1.577112112e+00 4.42 -1.598894220e+00 -1.598894220e+00 4.44 -1.617846392e+00 -1.617846392e+00 4.46 -1.633517407e+00 -1.633517407e+00 4.48 -1.645386757e+00 -1.645386757e+00 4.50 -1.654092269e+00 -1.654092269e+00 4.52 -1.660435636e+00 -1.660435636e+00 4.54 -1.665292801e+00 -1.665292801e+00 4.56 -1.669648864e+00 -1.669648864e+00 4.58 -1.674228488e+00 -1.674228488e+00 4.60 -1.679038451e+00 -1.679038451e+00 4.62 -1.683085329e+00 -1.683085329e+00 4.64 -1.684610278e+00 -1.684610278e+00 4.66 -1.681840130e+00 -1.681840130e+00 4.68 -1.673087509e+00 -1.673087509e+00 4.70 -1.657550063e+00 -1.657550063e+00 4.72 -1.635363618e+00 -1.635363618e+00 4.74 -1.606957778e+00 -1.606957778e+00 4.76 -1.574550473e+00 -1.574550473e+00 4.78 -1.540672522e+00 -1.540672522e+00 4.80 -1.507300977e+00 -1.507300977e+00 4.82 -1.476636277e+00 -1.476636277e+00 4.84 -1.450957078e+00 -1.450957078e+00 4.86 -1.432575168e+00 -1.432575168e+00 4.88 -1.422617325e+00 -1.422617325e+00 4.90 -1.419291558e+00 -1.419291558e+00 4.92 -1.420136098e+00 -1.420136098e+00 4.94 -1.423149607e+00 -1.423149607e+00 4.96 -1.426979872e+00 -1.426979872e+00 4.98 -1.430791576e+00 -1.430791576e+00 5.00 -1.434265515e+00 -1.434265515e+00 5.02 -1.438798314e+00 -1.438798314e+00 5.04 -1.446102423e+00 -1.446102423e+00 5.06 -1.453696248e+00 -1.453696248e+00 5.08 -1.458791109e+00 -1.458791109e+00 5.10 -1.460058994e+00 -1.460058994e+00 5.12 -1.457199030e+00 -1.457199030e+00 5.14 -1.450020887e+00 -1.450020887e+00 5.16 -1.437647983e+00 -1.437647983e+00 5.18 -1.419477213e+00 -1.419477213e+00 5.20 -1.394752938e+00 -1.394752938e+00 5.22 -1.362906809e+00 -1.362906809e+00 5.24 -1.324313283e+00 -1.324313283e+00 5.26 -1.280753701e+00 -1.280753701e+00 5.28 -1.235569944e+00 -1.235569944e+00 5.30 -1.192315511e+00 -1.192315511e+00 5.32 -1.153867689e+00 -1.153867689e+00 5.34 -1.122969497e+00 -1.122969497e+00 5.36 -1.102586991e+00 -1.102586991e+00 5.38 -1.092795395e+00 -1.092795395e+00 5.40 -1.080782369e+00 -1.080782369e+00 5.42 -1.064453114e+00 -1.064453114e+00 5.44 -1.044497864e+00 -1.044497864e+00 5.46 -1.021670479e+00 -1.021670479e+00 5.48 -9.967094273e-01 -9.967094273e-01 5.50 -9.703582205e-01 -9.703582205e-01 5.52 -9.433723461e-01 -9.433723461e-01 5.54 -9.165407874e-01 -9.165407874e-01 5.56 -8.906084413e-01 -8.906084413e-01 5.58 -8.661051204e-01 -8.661051204e-01 5.60 -8.435967209e-01 -8.435967209e-01 5.62 -8.238217295e-01 -8.238217295e-01 5.64 -8.076232048e-01 -8.076232048e-01 5.66 -7.957036072e-01 -7.957036072e-01 5.68 -7.881135622e-01 -7.881135622e-01 5.70 -7.838050389e-01 -7.838050389e-01 5.72 -7.819996226e-01 -7.819996226e-01 5.74 -7.820746861e-01 -7.820746861e-01 5.76 -7.834952600e-01 -7.834952600e-01 5.78 -7.859410010e-01 -7.859410010e-01 5.80 -7.892536754e-01 -7.892536754e-01 5.82 -7.932937675e-01 -7.932937675e-01 5.84 -7.973237014e-01 -7.973237014e-01 5.86 -8.003051884e-01 -8.003051884e-01 5.88 -8.011789695e-01 -8.011789695e-01 5.90 -7.989503651e-01 -7.989503651e-01 5.92 -7.927456255e-01 -7.927456255e-01 5.94 -7.817809834e-01 -7.817809834e-01 5.96 -7.654698285e-01 -7.654698285e-01 5.98 -7.436819346e-01 -7.436819346e-01 6.00 -7.161919031e-01 -7.161919031e-01