# 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 = MoNb2Zr # 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 9.402522904e+02 9.402522904e+02 1.08 8.408226635e+02 8.408226635e+02 1.10 7.532245235e+02 7.532245235e+02 1.12 6.756137623e+02 6.756137623e+02 1.14 6.057969880e+02 6.057969880e+02 1.16 5.432985552e+02 5.432985552e+02 1.18 4.875207164e+02 4.875207164e+02 1.20 4.371770055e+02 4.371770055e+02 1.22 3.921766237e+02 3.921766237e+02 1.24 3.521789971e+02 3.521789971e+02 1.26 3.164937759e+02 3.164937759e+02 1.28 2.845458777e+02 2.845458777e+02 1.30 2.558455160e+02 2.558455160e+02 1.32 2.301399740e+02 2.301399740e+02 1.34 2.069665868e+02 2.069665868e+02 1.36 1.860050733e+02 1.860050733e+02 1.38 1.673974538e+02 1.673974538e+02 1.40 1.506868818e+02 1.506868818e+02 1.42 1.354884821e+02 1.354884821e+02 1.44 1.217975840e+02 1.217975840e+02 1.46 1.093567292e+02 1.093567292e+02 1.48 9.835224392e+01 9.835224392e+01 1.50 8.848513538e+01 8.848513538e+01 1.52 7.957082831e+01 7.957082831e+01 1.54 7.154615946e+01 7.154615946e+01 1.56 6.428659414e+01 6.428659414e+01 1.58 5.770710100e+01 5.770710100e+01 1.60 5.174184543e+01 5.174184543e+01 1.62 4.641653409e+01 4.641653409e+01 1.64 4.164798985e+01 4.164798985e+01 1.66 3.732789701e+01 3.732789701e+01 1.68 3.338645139e+01 3.338645139e+01 1.70 2.988086692e+01 2.988086692e+01 1.72 2.687725850e+01 2.687725850e+01 1.74 2.426110724e+01 2.426110724e+01 1.76 2.187362985e+01 2.187362985e+01 1.78 1.972852978e+01 1.972852978e+01 1.80 1.787696329e+01 1.787696329e+01 1.82 1.615150218e+01 1.615150218e+01 1.84 1.454962582e+01 1.454962582e+01 1.86 1.306395857e+01 1.306395857e+01 1.88 1.168427847e+01 1.168427847e+01 1.90 1.042566963e+01 1.042566963e+01 1.92 9.285553027e+00 9.285553027e+00 1.94 8.241262789e+00 8.241262789e+00 1.96 7.264218293e+00 7.264218293e+00 1.98 6.329603569e+00 6.329603569e+00 2.00 5.440792912e+00 5.440792912e+00 2.02 4.588487778e+00 4.588487778e+00 2.04 3.933210146e+00 3.933210146e+00 2.06 3.357082022e+00 3.357082022e+00 2.08 2.793959384e+00 2.793959384e+00 2.10 2.305637030e+00 2.305637030e+00 2.12 1.899378545e+00 1.899378545e+00 2.14 1.553609273e+00 1.553609273e+00 2.16 1.230293776e+00 1.230293776e+00 2.18 9.110367054e-01 9.110367054e-01 2.20 4.598113624e-01 4.598113624e-01 2.22 3.560681842e-02 3.560681842e-02 2.24 -3.586360388e-01 -3.586360388e-01 2.26 -8.928645351e-01 -8.928645351e-01 2.28 -1.394652822e+00 -1.394652822e+00 2.30 -1.838416865e+00 -1.838416865e+00 2.32 -2.223819066e+00 -2.223819066e+00 2.34 -2.578939833e+00 -2.578939833e+00 2.36 -2.940622607e+00 -2.940622607e+00 2.38 -3.309564953e+00 -3.309564953e+00 2.40 -3.641063105e+00 -3.641063105e+00 2.42 -3.912572282e+00 -3.912572282e+00 2.44 -4.146307630e+00 -4.146307630e+00 2.46 -4.373312545e+00 -4.373312545e+00 2.48 -4.605850426e+00 -4.605850426e+00 2.50 -4.826287490e+00 -4.826287490e+00 2.52 -5.054486803e+00 -5.054486803e+00 2.54 -5.275757170e+00 -5.275757170e+00 2.56 -5.493432351e+00 -5.493432351e+00 2.58 -5.696313344e+00 -5.696313344e+00 2.60 -5.890443711e+00 -5.890443711e+00 2.62 -6.079440668e+00 -6.079440668e+00 2.64 -6.265718662e+00 -6.265718662e+00 2.66 -6.435239114e+00 -6.435239114e+00 2.68 -6.580891788e+00 -6.580891788e+00 2.70 -6.696015472e+00 -6.696015472e+00 2.72 -6.787012117e+00 -6.787012117e+00 2.74 -6.861731378e+00 -6.861731378e+00 2.76 -6.927152859e+00 -6.927152859e+00 2.78 -6.985014174e+00 -6.985014174e+00 2.80 -7.031949702e+00 -7.031949702e+00 2.82 -7.064369358e+00 -7.064369358e+00 2.84 -7.080006894e+00 -7.080006894e+00 2.86 -7.078934855e+00 -7.078934855e+00 2.88 -7.064469388e+00 -7.064469388e+00 2.90 -7.044458294e+00 -7.044458294e+00 2.92 -7.025465470e+00 -7.025465470e+00 2.94 -7.004840173e+00 -7.004840173e+00 2.96 -6.974730495e+00 -6.974730495e+00 2.98 -6.936158287e+00 -6.936158287e+00 3.00 -6.897704269e+00 -6.897704269e+00 3.02 -6.862230404e+00 -6.862230404e+00 3.04 -6.828895601e+00 -6.828895601e+00 3.06 -6.794291206e+00 -6.794291206e+00 3.08 -6.753260330e+00 -6.753260330e+00 3.10 -6.704776607e+00 -6.704776607e+00 3.12 -6.644326627e+00 -6.644326627e+00 3.14 -6.564106210e+00 -6.564106210e+00 3.16 -6.462321609e+00 -6.462321609e+00 3.18 -6.339264137e+00 -6.339264137e+00 3.20 -6.209292988e+00 -6.209292988e+00 3.22 -6.099562560e+00 -6.099562560e+00 3.24 -6.039531231e+00 -6.039531231e+00 3.26 -6.003373607e+00 -6.003373607e+00 3.28 -5.964692683e+00 -5.964692683e+00 3.30 -5.919724384e+00 -5.919724384e+00 3.32 -5.866629162e+00 -5.866629162e+00 3.34 -5.804953115e+00 -5.804953115e+00 3.36 -5.734736683e+00 -5.734736683e+00 3.38 -5.655221277e+00 -5.655221277e+00 3.40 -5.565232716e+00 -5.565232716e+00 3.42 -5.466475053e+00 -5.466475053e+00 3.44 -5.363363790e+00 -5.363363790e+00 3.46 -5.257366938e+00 -5.257366938e+00 3.48 -5.147506942e+00 -5.147506942e+00 3.50 -5.039132893e+00 -5.039132893e+00 3.52 -4.940125070e+00 -4.940125070e+00 3.54 -4.852534173e+00 -4.852534173e+00 3.56 -4.774962358e+00 -4.774962358e+00 3.58 -4.704682184e+00 -4.704682184e+00 3.60 -4.638116707e+00 -4.638116707e+00 3.62 -4.573348977e+00 -4.573348977e+00 3.64 -4.509400261e+00 -4.509400261e+00 3.66 -4.446668211e+00 -4.446668211e+00 3.68 -4.384133602e+00 -4.384133602e+00 3.70 -4.318270519e+00 -4.318270519e+00 3.72 -4.244756226e+00 -4.244756226e+00 3.74 -4.161497197e+00 -4.161497197e+00 3.76 -4.071633494e+00 -4.071633494e+00 3.78 -3.981099055e+00 -3.981099055e+00 3.80 -3.895756105e+00 -3.895756105e+00 3.82 -3.803346968e+00 -3.803346968e+00 3.84 -3.697536588e+00 -3.697536588e+00 3.86 -3.577536076e+00 -3.577536076e+00 3.88 -3.441194992e+00 -3.441194992e+00 3.90 -3.288263733e+00 -3.288263733e+00 3.92 -3.128287751e+00 -3.128287751e+00 3.94 -2.980746051e+00 -2.980746051e+00 3.96 -2.849932587e+00 -2.849932587e+00 3.98 -2.718078480e+00 -2.718078480e+00 4.00 -2.582507690e+00 -2.582507690e+00 4.02 -2.456724614e+00 -2.456724614e+00 4.04 -2.346346827e+00 -2.346346827e+00 4.06 -2.252101619e+00 -2.252101619e+00 4.08 -2.173473423e+00 -2.173473423e+00 4.10 -2.108390920e+00 -2.108390920e+00 4.12 -2.055269189e+00 -2.055269189e+00 4.14 -2.012609558e+00 -2.012609558e+00 4.16 -1.978733157e+00 -1.978733157e+00 4.18 -1.951790526e+00 -1.951790526e+00 4.20 -1.929966115e+00 -1.929966115e+00 4.22 -1.912613525e+00 -1.912613525e+00 4.24 -1.899025282e+00 -1.899025282e+00 4.26 -1.888230160e+00 -1.888230160e+00 4.28 -1.879273034e+00 -1.879273034e+00 4.30 -1.871174194e+00 -1.871174194e+00 4.32 -1.862898046e+00 -1.862898046e+00 4.34 -1.853561317e+00 -1.853561317e+00 4.36 -1.843054947e+00 -1.843054947e+00 4.38 -1.831451884e+00 -1.831451884e+00 4.40 -1.818943387e+00 -1.818943387e+00 4.42 -1.805860714e+00 -1.805860714e+00 4.44 -1.792671543e+00 -1.792671543e+00 4.46 -1.779804187e+00 -1.779804187e+00 4.48 -1.767309462e+00 -1.767309462e+00 4.50 -1.754938715e+00 -1.754938715e+00 4.52 -1.742313826e+00 -1.742313826e+00 4.54 -1.728990507e+00 -1.728990507e+00 4.56 -1.714476233e+00 -1.714476233e+00 4.58 -1.698242087e+00 -1.698242087e+00 4.60 -1.679658687e+00 -1.679658687e+00 4.62 -1.658343322e+00 -1.658343322e+00 4.64 -1.634139108e+00 -1.634139108e+00 4.66 -1.606940911e+00 -1.606940911e+00 4.68 -1.576648568e+00 -1.576648568e+00 4.70 -1.543323789e+00 -1.543323789e+00 4.72 -1.507216976e+00 -1.507216976e+00 4.74 -1.468639735e+00 -1.468639735e+00 4.76 -1.428589858e+00 -1.428589858e+00 4.78 -1.388301911e+00 -1.388301911e+00 4.80 -1.349033018e+00 -1.349033018e+00 4.82 -1.311964806e+00 -1.311964806e+00 4.84 -1.278146511e+00 -1.278146511e+00 4.86 -1.248604151e+00 -1.248604151e+00 4.88 -1.223675505e+00 -1.223675505e+00 4.90 -1.202448460e+00 -1.202448460e+00 4.92 -1.183899155e+00 -1.183899155e+00 4.94 -1.167280524e+00 -1.167280524e+00 4.96 -1.152073939e+00 -1.152073939e+00 4.98 -1.137861496e+00 -1.137861496e+00 5.00 -1.124373397e+00 -1.124373397e+00 5.02 -1.111985697e+00 -1.111985697e+00 5.04 -1.101410294e+00 -1.101410294e+00 5.06 -1.092345006e+00 -1.092345006e+00 5.08 -1.084122052e+00 -1.084122052e+00 5.10 -1.076050060e+00 -1.076050060e+00 5.12 -1.067458474e+00 -1.067458474e+00 5.14 -1.057662687e+00 -1.057662687e+00 5.16 -1.046128142e+00 -1.046128142e+00 5.18 -1.032947142e+00 -1.032947142e+00 5.20 -1.018318115e+00 -1.018318115e+00 5.22 -1.002493601e+00 -1.002493601e+00 5.24 -9.858646825e-01 -9.858646825e-01 5.26 -9.690430767e-01 -9.690430767e-01 5.28 -9.531187892e-01 -9.531187892e-01 5.30 -9.390269185e-01 -9.390269185e-01 5.32 -9.276044302e-01 -9.276044302e-01 5.34 -9.196792617e-01 -9.196792617e-01 5.36 -9.160292534e-01 -9.160292534e-01 5.38 -9.157335191e-01 -9.157335191e-01 5.40 -9.135812525e-01 -9.135812525e-01 5.42 -9.089573735e-01 -9.089573735e-01 5.44 -9.020437512e-01 -9.020437512e-01 5.46 -8.930293978e-01 -8.930293978e-01 5.48 -8.820810972e-01 -8.820810972e-01 5.50 -8.693497255e-01 -8.693497255e-01 5.52 -8.549765914e-01 -8.549765914e-01 5.54 -8.391151741e-01 -8.391151741e-01 5.56 -8.221308864e-01 -8.221308864e-01 5.58 -8.046049946e-01 -8.046049946e-01 5.60 -7.872468926e-01 -7.872468926e-01 5.62 -7.708854780e-01 -7.708854780e-01 5.64 -7.564361945e-01 -7.564361945e-01 5.66 -7.448383873e-01 -7.448383873e-01 5.68 -7.367065445e-01 -7.367065445e-01 5.70 -7.313835981e-01 -7.313835981e-01 5.72 -7.278564688e-01 -7.278564688e-01 5.74 -7.251513402e-01 -7.251513402e-01 5.76 -7.223935558e-01 -7.223935558e-01 5.78 -7.187752832e-01 -7.187752832e-01 5.80 -7.134590641e-01 -7.134590641e-01 5.82 -7.058573050e-01 -7.058573050e-01 5.84 -6.960358099e-01 -6.960358099e-01 5.86 -6.841409510e-01 -6.841409510e-01 5.88 -6.704403835e-01 -6.704403835e-01 5.90 -6.554205767e-01 -6.554205767e-01 5.92 -6.398445957e-01 -6.398445957e-01 5.94 -6.246861328e-01 -6.246861328e-01 5.96 -6.096554098e-01 -6.096554098e-01 5.98 -5.930056906e-01 -5.930056906e-01 6.00 -5.726664146e-01 -5.726664146e-01