# 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 = Mo2PtW # 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 4.130478508e+02 4.130478508e+02 1.30 3.837473071e+02 3.837473071e+02 1.32 3.564816787e+02 3.564816787e+02 1.34 3.311146751e+02 3.311146751e+02 1.36 3.075343944e+02 3.075343944e+02 1.38 2.856363204e+02 2.856363204e+02 1.40 2.653107040e+02 2.653107040e+02 1.42 2.464395458e+02 2.464395458e+02 1.44 2.289016702e+02 2.289016702e+02 1.46 2.125807901e+02 2.125807901e+02 1.48 1.973717535e+02 1.973717535e+02 1.50 1.831827692e+02 1.831827692e+02 1.52 1.699342283e+02 1.699342283e+02 1.54 1.575561198e+02 1.575561198e+02 1.56 1.459856815e+02 1.459856815e+02 1.58 1.351657115e+02 1.351657115e+02 1.60 1.250432399e+02 1.250432399e+02 1.62 1.155684767e+02 1.155684767e+02 1.64 1.066943586e+02 1.066943586e+02 1.66 9.837694289e+01 9.837694289e+01 1.68 9.057644396e+01 9.057644396e+01 1.70 8.325830732e+01 8.325830732e+01 1.72 7.639362387e+01 7.639362387e+01 1.74 6.995845658e+01 6.995845658e+01 1.76 6.393226437e+01 6.393226437e+01 1.78 5.829615539e+01 5.829615539e+01 1.80 5.303163453e+01 5.303163453e+01 1.82 4.811996243e+01 4.811996243e+01 1.84 4.354188055e+01 4.354188055e+01 1.86 3.927791423e+01 3.927791423e+01 1.88 3.530839514e+01 3.530839514e+01 1.90 3.164531264e+01 3.164531264e+01 1.92 2.829835287e+01 2.829835287e+01 1.94 2.523699720e+01 2.523699720e+01 1.96 2.243403992e+01 2.243403992e+01 1.98 1.986556835e+01 1.986556835e+01 2.00 1.751058402e+01 1.751058402e+01 2.02 1.535052188e+01 1.535052188e+01 2.04 1.336876228e+01 1.336876228e+01 2.06 1.155020738e+01 1.155020738e+01 2.08 9.880962803e+00 9.880962803e+00 2.10 8.348135867e+00 8.348135867e+00 2.12 6.939742851e+00 6.939742851e+00 2.14 5.644706484e+00 5.644706484e+00 2.16 4.452913384e+00 4.452913384e+00 2.18 3.355288092e+00 3.355288092e+00 2.20 2.343835880e+00 2.343835880e+00 2.22 1.411620738e+00 1.411620738e+00 2.24 5.526727632e-01 5.526727632e-01 2.26 -2.381553624e-01 -2.381553624e-01 2.28 -9.653523010e-01 -9.653523010e-01 2.30 -1.632905437e+00 -1.632905437e+00 2.32 -2.244435517e+00 -2.244435517e+00 2.34 -2.803302524e+00 -2.803302524e+00 2.36 -3.312683362e+00 -3.312683362e+00 2.38 -3.775624347e+00 -3.775624347e+00 2.40 -4.195071909e+00 -4.195071909e+00 2.42 -4.573884834e+00 -4.573884834e+00 2.44 -4.914832348e+00 -4.914832348e+00 2.46 -5.220583927e+00 -5.220583927e+00 2.48 -5.493697183e+00 -5.493697183e+00 2.50 -5.736607517e+00 -5.736607517e+00 2.52 -5.951616108e+00 -5.951616108e+00 2.54 -6.140815285e+00 -6.140815285e+00 2.56 -6.306208107e+00 -6.306208107e+00 2.58 -6.449637847e+00 -6.449637847e+00 2.60 -6.572716071e+00 -6.572716071e+00 2.62 -6.676820019e+00 -6.676820019e+00 2.64 -6.763112565e+00 -6.763112565e+00 2.66 -6.832580845e+00 -6.832580845e+00 2.68 -6.886373556e+00 -6.886373556e+00 2.70 -6.926443236e+00 -6.926443236e+00 2.72 -6.953038284e+00 -6.953038284e+00 2.74 -6.966421591e+00 -6.966421591e+00 2.76 -6.967072829e+00 -6.967072829e+00 2.78 -6.955508327e+00 -6.955508327e+00 2.80 -6.932276788e+00 -6.932276788e+00 2.82 -6.897954392e+00 -6.897954392e+00 2.84 -6.853142167e+00 -6.853142167e+00 2.86 -6.798464007e+00 -6.798464007e+00 2.88 -6.734326931e+00 -6.734326931e+00 2.90 -6.660809583e+00 -6.660809583e+00 2.92 -6.578092555e+00 -6.578092555e+00 2.94 -6.486506212e+00 -6.486506212e+00 2.96 -6.386527568e+00 -6.386527568e+00 2.98 -6.278763824e+00 -6.278763824e+00 3.00 -6.163920182e+00 -6.163920182e+00 3.02 -6.042754018e+00 -6.042754018e+00 3.04 -5.916021774e+00 -5.916021774e+00 3.06 -5.784427351e+00 -5.784427351e+00 3.08 -5.648580332e+00 -5.648580332e+00 3.10 -5.508969663e+00 -5.508969663e+00 3.12 -5.365954468e+00 -5.365954468e+00 3.14 -5.219770436e+00 -5.219770436e+00 3.16 -5.070548115e+00 -5.070548115e+00 3.18 -4.918339028e+00 -4.918339028e+00 3.20 -4.763145889e+00 -4.763145889e+00 3.22 -4.604954240e+00 -4.604954240e+00 3.24 -4.443763758e+00 -4.443763758e+00 3.26 -4.279619327e+00 -4.279619327e+00 3.28 -4.112790282e+00 -4.112790282e+00 3.30 -3.943909175e+00 -3.943909175e+00 3.32 -3.773684764e+00 -3.773684764e+00 3.34 -3.602887068e+00 -3.602887068e+00 3.36 -3.432358116e+00 -3.432358116e+00 3.38 -3.263008215e+00 -3.263008215e+00 3.40 -3.095799184e+00 -3.095799184e+00 3.42 -2.931716865e+00 -2.931716865e+00 3.44 -2.771736124e+00 -2.771736124e+00 3.46 -2.616782310e+00 -2.616782310e+00 3.48 -2.467693396e+00 -2.467693396e+00 3.50 -2.325186828e+00 -2.325186828e+00 3.52 -2.189834292e+00 -2.189834292e+00 3.54 -2.062046383e+00 -2.062046383e+00 3.56 -1.942067836e+00 -1.942067836e+00 3.58 -1.829982655e+00 -1.829982655e+00 3.60 -1.725727494e+00 -1.725727494e+00 3.62 -1.629111065e+00 -1.629111065e+00 3.64 -1.539837129e+00 -1.539837129e+00 3.66 -1.457528797e+00 -1.457528797e+00 3.68 -1.381752240e+00 -1.381752240e+00 3.70 -1.312038390e+00 -1.312038390e+00 3.72 -1.247901751e+00 -1.247901751e+00 3.74 -1.188855865e+00 -1.188855865e+00 3.76 -1.134425389e+00 -1.134425389e+00 3.78 -1.084154953e+00 -1.084154953e+00 3.80 -1.037615202e+00 -1.037615202e+00 3.82 -9.944064489e-01 -9.944064489e-01 3.84 -9.541604316e-01 -9.541604316e-01 3.86 -9.165406434e-01 -9.165406434e-01 3.88 -8.812416416e-01 -8.812416416e-01 3.90 -8.479877081e-01 -8.479877081e-01 3.92 -8.165311575e-01 -8.165311575e-01 3.94 -7.866505474e-01 -7.866505474e-01 3.96 -7.581489553e-01 -7.581489553e-01 3.98 -7.308524872e-01 -7.308524872e-01 4.00 -7.046091090e-01 -7.046091090e-01 4.02 -6.792877924e-01 -6.792877924e-01 4.04 -6.547779975e-01 -6.547779975e-01 4.06 -6.309896957e-01 -6.309896957e-01 4.08 -6.078531482e-01 -6.078531482e-01 4.10 -5.853173619e-01 -5.853173619e-01 4.12 -5.633509511e-01 -5.633509511e-01 4.14 -5.419409483e-01 -5.419409483e-01 4.16 -5.210908683e-01 -5.210908683e-01 4.18 -5.008179203e-01 -5.008179203e-01 4.20 -4.811493944e-01 -4.811493944e-01 4.22 -4.621183857e-01 -4.621183857e-01 4.24 -4.437591805e-01 -4.437591805e-01 4.26 -4.261027356e-01 -4.261027356e-01 4.28 -4.091727023e-01 -4.091727023e-01 4.30 -3.929823817e-01 -3.929823817e-01 4.32 -3.775328524e-01 -3.775328524e-01 4.34 -3.628123335e-01 -3.628123335e-01 4.36 -3.487966709e-01 -3.487966709e-01 4.38 -3.354507064e-01 -3.354507064e-01 4.40 -3.227302276e-01 -3.227302276e-01 4.42 -3.105841889e-01 -3.105841889e-01 4.44 -2.989569484e-01 -2.989569484e-01 4.46 -2.877903316e-01 -2.877903316e-01 4.48 -2.770254163e-01 -2.770254163e-01 4.50 -2.666040042e-01 -2.666040042e-01 4.52 -2.564697798e-01 -2.564697798e-01 4.54 -2.465690125e-01 -2.465690125e-01 4.56 -2.368519409e-01 -2.368519409e-01 4.58 -2.272730506e-01 -2.272730506e-01 4.60 -2.177915489e-01 -2.177915489e-01 4.62 -2.083720316e-01 -2.083720316e-01 4.64 -1.989851665e-01 -1.989851665e-01 4.66 -1.896084079e-01 -1.896084079e-01 4.68 -1.802267257e-01 -1.802267257e-01 4.70 -1.708333040e-01 -1.708333040e-01 4.72 -1.614301359e-01 -1.614301359e-01 4.74 -1.520284212e-01 -1.520284212e-01 4.76 -1.426486617e-01 -1.426486617e-01 4.78 -1.333203519e-01 -1.333203519e-01 4.80 -1.240811863e-01 -1.240811863e-01 4.82 -1.149757440e-01 -1.149757440e-01 4.84 -1.060536648e-01 -1.060536648e-01 4.86 -9.736740511e-02 -9.736740511e-02 4.88 -8.896971629e-02 -8.896971629e-02 4.90 -8.091104271e-02 -8.091104271e-02 4.92 -7.323705791e-02 -7.323705791e-02 4.94 -6.598654864e-02 -6.598654864e-02 4.96 -5.918981631e-02 -5.918981631e-02 4.98 -5.286770111e-02 -5.286770111e-02 5.00 -4.703125625e-02 -4.703125625e-02 5.02 -4.168204265e-02 -4.168204265e-02 5.04 -3.681292638e-02 -3.681292638e-02 5.06 -3.240924363e-02 -3.240924363e-02 5.08 -2.845019230e-02 -2.845019230e-02 5.10 -2.491030887e-02 -2.491030887e-02 5.12 -2.176093580e-02 -2.176093580e-02 5.14 -1.897154667e-02 -1.897154667e-02 5.16 -1.651082015e-02 -1.651082015e-02 5.18 -1.434729006e-02 -1.434729006e-02 5.20 -1.245116985e-02 -1.245116985e-02 5.22 -1.079413110e-02 -1.079413110e-02 5.24 -9.349556153e-03 -9.349556153e-03 5.26 -8.092811282e-03 -8.092811282e-03 5.28 -7.001380726e-03 -7.001380726e-03 5.30 -6.054895447e-03 -6.054895447e-03 5.32 -5.235085889e-03 -5.235085889e-03 5.34 -4.525682795e-03 -4.525682795e-03 5.36 -3.912285210e-03 -3.912285210e-03 5.38 -3.382210264e-03 -3.382210264e-03 5.40 -2.924335574e-03 -2.924335574e-03 5.42 -2.528941981e-03 -2.528941981e-03 5.44 -2.187561834e-03 -2.187561834e-03 5.46 -1.892836192e-03 -1.892836192e-03 5.48 -1.638382866e-03 -1.638382866e-03 5.50 -1.418676193e-03 -1.418676193e-03 5.52 -1.228938736e-03 -1.228938736e-03 5.54 -1.065044600e-03 -1.065044600e-03 5.56 -9.234337443e-04 -9.234337443e-04 5.58 -8.010364896e-04 -8.010364896e-04 5.60 -6.952073418e-04 -6.952073418e-04 5.62 -6.036672081e-04 -6.036672081e-04 5.64 -5.244531138e-04 -5.244531138e-04 5.66 -4.558745644e-04 -4.558745644e-04 5.68 -3.964757609e-04 -3.964757609e-04 5.70 -3.450029439e-04 -3.450029439e-04 5.72 -3.003762135e-04 -3.003762135e-04 5.74 -2.616652403e-04 -2.616652403e-04 5.76 -2.280683505e-04 -2.280683505e-04 5.78 -1.988945308e-04 -1.988945308e-04 5.80 -1.735479537e-04 -1.735479537e-04 5.82 -1.515146765e-04 -1.515146765e-04 5.84 -1.323512104e-04 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