# 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 = MoTaW2 # 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 4.202890442e+02 4.202890442e+02 1.30 3.885115134e+02 3.885115134e+02 1.32 3.591909972e+02 3.591909972e+02 1.34 3.321104487e+02 3.321104487e+02 1.36 3.070692133e+02 3.070692133e+02 1.38 2.838842290e+02 2.838842290e+02 1.40 2.623923024e+02 2.623923024e+02 1.42 2.424510816e+02 2.424510816e+02 1.44 2.239373078e+02 2.239373078e+02 1.46 2.067429665e+02 2.067429665e+02 1.48 1.907711865e+02 1.907711865e+02 1.50 1.759334769e+02 1.759334769e+02 1.52 1.621487527e+02 1.621487527e+02 1.54 1.493435055e+02 1.493435055e+02 1.56 1.374520278e+02 1.374520278e+02 1.58 1.264158726e+02 1.264158726e+02 1.60 1.161823971e+02 1.161823971e+02 1.62 1.067028175e+02 1.067028175e+02 1.64 9.793040009e+01 9.793040009e+01 1.66 8.981925132e+01 8.981925132e+01 1.68 8.232383968e+01 8.232383968e+01 1.70 7.539911063e+01 7.539911063e+01 1.72 6.900093781e+01 6.900093781e+01 1.74 6.308668855e+01 6.308668855e+01 1.76 5.761578572e+01 5.761578572e+01 1.78 5.255023826e+01 5.255023826e+01 1.80 4.785514095e+01 4.785514095e+01 1.82 4.349910956e+01 4.349910956e+01 1.84 3.945455478e+01 3.945455478e+01 1.86 3.569767078e+01 3.569767078e+01 1.88 3.220806844e+01 3.220806844e+01 1.90 2.896810293e+01 2.896810293e+01 1.92 2.596205632e+01 2.596205632e+01 1.94 2.317537111e+01 2.317537111e+01 1.96 2.059496330e+01 2.059496330e+01 1.98 1.821150355e+01 1.821150355e+01 2.00 1.601408557e+01 1.601408557e+01 2.02 1.398924653e+01 1.398924653e+01 2.04 1.212359521e+01 1.212359521e+01 2.06 1.040434116e+01 1.040434116e+01 2.08 8.819365666e+00 8.819365666e+00 2.10 7.357271818e+00 7.357271818e+00 2.12 6.007440360e+00 6.007440360e+00 2.14 4.760107401e+00 4.760107401e+00 2.16 3.606452919e+00 3.606452919e+00 2.18 2.538666651e+00 2.538666651e+00 2.20 1.549956118e+00 1.549956118e+00 2.22 6.344797746e-01 6.344797746e-01 2.24 -2.127861120e-01 -2.127861120e-01 2.26 -9.962192700e-01 -9.962192700e-01 2.28 -1.719728508e+00 -1.719728508e+00 2.30 -2.386908136e+00 -2.386908136e+00 2.32 -3.001152788e+00 -3.001152788e+00 2.34 -3.565727091e+00 -3.565727091e+00 2.36 -4.083793692e+00 -4.083793692e+00 2.38 -4.558409266e+00 -4.558409266e+00 2.40 -4.992501118e+00 -4.992501118e+00 2.42 -5.388837013e+00 -5.388837013e+00 2.44 -5.749998221e+00 -5.749998221e+00 2.46 -6.078361682e+00 -6.078361682e+00 2.48 -6.376092949e+00 -6.376092949e+00 2.50 -6.645148672e+00 -6.645148672e+00 2.52 -6.887286084e+00 -6.887286084e+00 2.54 -7.104077145e+00 -7.104077145e+00 2.56 -7.296925785e+00 -7.296925785e+00 2.58 -7.467087569e+00 -7.467087569e+00 2.60 -7.615691480e+00 -7.615691480e+00 2.62 -7.743763439e+00 -7.743763439e+00 2.64 -7.852218134e+00 -7.852218134e+00 2.66 -7.941815843e+00 -7.941815843e+00 2.68 -8.013529516e+00 -8.013529516e+00 2.70 -8.068318901e+00 -8.068318901e+00 2.72 -8.107056861e+00 -8.107056861e+00 2.74 -8.130769947e+00 -8.130769947e+00 2.76 -8.140495478e+00 -8.140495478e+00 2.78 -8.137252814e+00 -8.137252814e+00 2.80 -8.122032886e+00 -8.122032886e+00 2.82 -8.095472133e+00 -8.095472133e+00 2.84 -8.057743477e+00 -8.057743477e+00 2.86 -8.009001686e+00 -8.009001686e+00 2.88 -7.949402916e+00 -7.949402916e+00 2.90 -7.879120179e+00 -7.879120179e+00 2.92 -7.798436783e+00 -7.798436783e+00 2.94 -7.707748428e+00 -7.707748428e+00 2.96 -7.607561043e+00 -7.607561043e+00 2.98 -7.498481146e+00 -7.498481146e+00 3.00 -7.381181965e+00 -7.381181965e+00 3.02 -7.256215735e+00 -7.256215735e+00 3.04 -7.124061861e+00 -7.124061861e+00 3.06 -6.985208259e+00 -6.985208259e+00 3.08 -6.840112038e+00 -6.840112038e+00 3.10 -6.689166169e+00 -6.689166169e+00 3.12 -6.532677944e+00 -6.532677944e+00 3.14 -6.370860820e+00 -6.370860820e+00 3.16 -6.203839414e+00 -6.203839414e+00 3.18 -6.031665954e+00 -6.031665954e+00 3.20 -5.854345667e+00 -5.854345667e+00 3.22 -5.671868292e+00 -5.671868292e+00 3.24 -5.484243034e+00 -5.484243034e+00 3.26 -5.291534470e+00 -5.291534470e+00 3.28 -5.093897177e+00 -5.093897177e+00 3.30 -4.891606914e+00 -4.891606914e+00 3.32 -4.685086268e+00 -4.685086268e+00 3.34 -4.474922665e+00 -4.474922665e+00 3.36 -4.261876801e+00 -4.261876801e+00 3.38 -4.046879831e+00 -4.046879831e+00 3.40 -3.831018217e+00 -3.831018217e+00 3.42 -3.615506002e+00 -3.615506002e+00 3.44 -3.401645351e+00 -3.401645351e+00 3.46 -3.190777548e+00 -3.190777548e+00 3.48 -2.984227908e+00 -2.984227908e+00 3.50 -2.783249136e+00 -2.783249136e+00 3.52 -2.588968210e+00 -2.588968210e+00 3.54 -2.402341710e+00 -2.402341710e+00 3.56 -2.224123635e+00 -2.224123635e+00 3.58 -2.054848218e+00 -2.054848218e+00 3.60 -1.894828447e+00 -1.894828447e+00 3.62 -1.744169136e+00 -1.744169136e+00 3.64 -1.602791946e+00 -1.602791946e+00 3.66 -1.470468728e+00 -1.470468728e+00 3.68 -1.346859239e+00 -1.346859239e+00 3.70 -1.231549415e+00 -1.231549415e+00 3.72 -1.124086938e+00 -1.124086938e+00 3.74 -1.024011658e+00 -1.024011658e+00 3.76 -9.308792749e-01 -9.308792749e-01 3.78 -8.442775978e-01 -8.442775978e-01 3.80 -7.638354494e-01 -7.638354494e-01 3.82 -6.892249500e-01 -6.892249500e-01 3.84 -6.201583993e-01 -6.201583993e-01 3.86 -5.563812863e-01 -5.563812863e-01 3.88 -4.976630763e-01 -4.976630763e-01 3.90 -4.437873580e-01 -4.437873580e-01 3.92 -3.945427030e-01 -3.945427030e-01 3.94 -3.497152399e-01 -3.497152399e-01 3.96 -3.090835365e-01 -3.090835365e-01 3.98 -2.724159674e-01 -2.724159674e-01 4.00 -2.394704319e-01 -2.394704319e-01 4.02 -2.099959879e-01 -2.099959879e-01 4.04 -1.837358653e-01 -1.837358653e-01 4.06 -1.604312697e-01 -1.604312697e-01 4.08 -1.398254836e-01 -1.398254836e-01 4.10 -1.216677031e-01 -1.216677031e-01 4.12 -1.057162805e-01 -1.057162805e-01 4.14 -9.174250662e-02 -9.174250662e-02 4.16 -7.953207639e-02 -7.953207639e-02 4.18 -6.888623652e-02 -6.888623652e-02 4.20 -5.962257666e-02 -5.962257666e-02 4.22 -5.157521981e-02 -5.157521981e-02 4.24 -4.459453734e-02 -4.459453734e-02 4.26 -3.854650821e-02 -3.854650821e-02 4.28 -3.331182892e-02 -3.331182892e-02 4.30 -2.878486362e-02 -2.878486362e-02 4.32 -2.487251380e-02 -2.487251380e-02 4.34 -2.149305905e-02 -2.149305905e-02 4.36 -1.857477803e-02 -1.857477803e-02 4.38 -1.605514006e-02 -1.605514006e-02 4.40 -1.388024838e-02 -1.388024838e-02 4.42 -1.200318443e-02 -1.200318443e-02 4.44 -1.038320563e-02 -1.038320563e-02 4.46 -8.985011186e-03 -8.985011186e-03 4.48 -7.778068607e-03 -7.778068607e-03 4.50 -6.736005527e-03 -6.736005527e-03 4.52 -5.836066728e-03 -5.836066728e-03 4.54 -5.058633562e-03 -5.058633562e-03 4.56 -4.386801443e-03 -4.386801443e-03 4.58 -3.806010320e-03 -3.806010320e-03 4.60 -3.303722802e-03 -3.303722802e-03 4.62 -2.869144695e-03 -2.869144695e-03 4.64 -2.492982995e-03 -2.492982995e-03 4.66 -2.167236736e-03 -2.167236736e-03 4.68 -1.885016518e-03 -1.885016518e-03 4.70 -1.640389008e-03 -1.640389008e-03 4.72 -1.428243055e-03 -1.428243055e-03 4.74 -1.244174532e-03 -1.244174532e-03 4.76 -1.084387327e-03 -1.084387327e-03 4.78 -9.456082540e-04 -9.456082540e-04 4.80 -8.250138711e-04 -8.250138711e-04 4.82 -7.201680128e-04 -7.201680128e-04 4.84 -6.289673393e-04 -6.289673393e-04 4.86 -5.495953535e-04 -5.495953535e-04 4.88 -4.804825037e-04 -4.804825037e-04 4.90 -4.202719824e-04 -4.202719824e-04 4.92 -3.677903335e-04 -3.677903335e-04 4.94 -3.220221852e-04 -3.220221852e-04 4.96 -2.820885239e-04 -2.820885239e-04 4.98 -2.472280063e-04 -2.472280063e-04 5.00 -2.167808788e-04 -2.167808788e-04 5.02 -1.901751355e-04 -1.901751355e-04 5.04 -1.669145980e-04 -1.669145980e-04 5.06 -1.465686469e-04 -1.465686469e-04 5.08 -1.287633705e-04 -1.287633705e-04 5.10 -1.131739334e-04 -1.131739334e-04 5.12 -9.951799290e-05 -9.951799290e-05 5.14 -8.755001694e-05 -8.755001694e-05 5.16 -7.705637778e-05 -7.705637778e-05 5.18 -6.785111346e-05 -6.785111346e-05 5.20 -5.977226434e-05 -5.977226434e-05 5.22 -5.267870519e-05 -5.267870519e-05 5.24 -4.644740443e-05 -4.644740443e-05 5.26 -4.097105176e-05 -4.097105176e-05 5.28 -3.615600363e-05 -3.615600363e-05 5.30 -3.192050313e-05 -3.192050313e-05 5.32 -2.819313676e-05 -2.819313676e-05 5.34 -2.491149606e-05 -2.491149606e-05 5.36 -2.202101621e-05 -2.202101621e-05 5.38 -1.947396774e-05 -1.947396774e-05 5.40 -1.722858071e-05 -1.722858071e-05 5.42 -1.524828366e-05 -1.524828366e-05 5.44 -1.350104183e-05 -1.350104183e-05 5.46 -1.195878158e-05 -1.195878158e-05 5.48 -1.059688944e-05 -1.059688944e-05 5.50 -9.393775898e-06 -9.393775898e-06 5.52 -8.330495421e-06 -8.330495421e-06 5.54 -7.390415317e-06 -7.390415317e-06 5.56 -6.558926958e-06 -6.558926958e-06 5.58 -5.823193870e-06 -5.823193870e-06 5.60 -5.171931884e-06 -5.171931884e-06 5.62 -4.595217162e-06 -4.595217162e-06 5.64 -4.084318492e-06 -4.084318492e-06 5.66 -3.631550724e-06 -3.631550724e-06 5.68 -3.230146610e-06 -3.230146610e-06 5.70 -2.874144704e-06 -2.874144704e-06 5.72 -2.558291245e-06 -2.558291245e-06 5.74 -2.277954262e-06 -2.277954262e-06 5.76 -2.029048331e-06 -2.029048331e-06 5.78 -1.807968636e-06 -1.807968636e-06 5.80 -1.611533165e-06 -1.611533165e-06 5.82 -1.436932012e-06 -1.436932012e-06 5.84 -1.281682889e-06 -1.281682889e-06 5.86 -1.143592076e-06 -1.143592076e-06 5.88 -1.020720129e-06 -1.020720129e-06 5.90 -9.113517516e-07 -9.113517516e-07 5.92 -8.139693113e-07 -8.139693113e-07 5.94 -7.272295599e-07 -7.272295599e-07 5.96 -6.499431508e-07 -6.499431508e-07 5.98 -5.810566161e-07 -5.810566161e-07 6.00 -5.196365008e-07 -5.196365008e-07