# 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 = NiPt2Ta # 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 3.579969228e+02 3.579969228e+02 1.30 3.338422399e+02 3.338422399e+02 1.32 3.113380988e+02 3.113380988e+02 1.34 2.903759241e+02 2.903759241e+02 1.36 2.708441606e+02 2.708441606e+02 1.38 2.526290912e+02 2.526290912e+02 1.40 2.356206177e+02 2.356206177e+02 1.42 2.197180598e+02 2.197180598e+02 1.44 2.048310578e+02 2.048310578e+02 1.46 1.908785386e+02 1.908785386e+02 1.48 1.777903262e+02 1.777903262e+02 1.50 1.655092415e+02 1.655092415e+02 1.52 1.539890156e+02 1.539890156e+02 1.54 1.431881908e+02 1.431881908e+02 1.56 1.330642929e+02 1.330642929e+02 1.58 1.235713546e+02 1.235713546e+02 1.60 1.146606185e+02 1.146606185e+02 1.62 1.062828802e+02 1.062828802e+02 1.64 9.839126524e+01 9.839126524e+01 1.66 9.094374952e+01 9.094374952e+01 1.68 8.390494850e+01 8.390494850e+01 1.70 7.724676379e+01 7.724676379e+01 1.72 7.094754624e+01 7.094754624e+01 1.74 6.498977155e+01 6.498977155e+01 1.76 5.935702438e+01 5.935702438e+01 1.78 5.403241315e+01 5.403241315e+01 1.80 4.900013874e+01 4.900013874e+01 1.82 4.424030515e+01 4.424030515e+01 1.84 3.973377793e+01 3.973377793e+01 1.86 3.553412239e+01 3.553412239e+01 1.88 3.167385391e+01 3.167385391e+01 1.90 2.812999524e+01 2.812999524e+01 1.92 2.488152821e+01 2.488152821e+01 1.94 2.190818801e+01 2.190818801e+01 1.96 1.919017395e+01 1.919017395e+01 1.98 1.670850157e+01 1.670850157e+01 2.00 1.444537668e+01 1.444537668e+01 2.02 1.238422396e+01 1.238422396e+01 2.04 1.050943519e+01 1.050943519e+01 2.06 8.806100991e+00 8.806100991e+00 2.08 7.259905491e+00 7.259905491e+00 2.10 5.857188451e+00 5.857188451e+00 2.12 4.585081467e+00 4.585081467e+00 2.14 3.431633536e+00 3.431633536e+00 2.16 2.385893865e+00 2.385893865e+00 2.18 1.437953057e+00 1.437953057e+00 2.20 5.789463230e-01 5.789463230e-01 2.22 -1.989829270e-01 -1.989829270e-01 2.24 -9.027576598e-01 -9.027576598e-01 2.26 -1.538470611e+00 -1.538470611e+00 2.28 -2.111503664e+00 -2.111503664e+00 2.30 -2.626652397e+00 -2.626652397e+00 2.32 -3.088247353e+00 -3.088247353e+00 2.34 -3.500263191e+00 -3.500263191e+00 2.36 -3.866406026e+00 -3.866406026e+00 2.38 -4.190172338e+00 -4.190172338e+00 2.40 -4.474881296e+00 -4.474881296e+00 2.42 -4.723690951e+00 -4.723690951e+00 2.44 -4.939611262e+00 -4.939611262e+00 2.46 -5.125521680e+00 -5.125521680e+00 2.48 -5.284174859e+00 -5.284174859e+00 2.50 -5.418143186e+00 -5.418143186e+00 2.52 -5.530119574e+00 -5.530119574e+00 2.54 -5.622700939e+00 -5.622700939e+00 2.56 -5.698289841e+00 -5.698289841e+00 2.58 -5.759030719e+00 -5.759030719e+00 2.60 -5.806754187e+00 -5.806754187e+00 2.62 -5.843120796e+00 -5.843120796e+00 2.64 -5.871177629e+00 -5.871177629e+00 2.66 -5.891688072e+00 -5.891688072e+00 2.68 -5.904657724e+00 -5.904657724e+00 2.70 -5.910108974e+00 -5.910108974e+00 2.72 -5.908098998e+00 -5.908098998e+00 2.74 -5.898728058e+00 -5.898728058e+00 2.76 -5.882138247e+00 -5.882138247e+00 2.78 -5.858502815e+00 -5.858502815e+00 2.80 -5.828017436e+00 -5.828017436e+00 2.82 -5.790893181e+00 -5.790893181e+00 2.84 -5.747355125e+00 -5.747355125e+00 2.86 -5.697648723e+00 -5.697648723e+00 2.88 -5.642052954e+00 -5.642052954e+00 2.90 -5.580897314e+00 -5.580897314e+00 2.92 -5.514578192e+00 -5.514578192e+00 2.94 -5.443548180e+00 -5.443548180e+00 2.96 -5.368267104e+00 -5.368267104e+00 2.98 -5.289253701e+00 -5.289253701e+00 3.00 -5.207070498e+00 -5.207070498e+00 3.02 -5.122281234e+00 -5.122281234e+00 3.04 -5.035407895e+00 -5.035407895e+00 3.06 -4.946896356e+00 -4.946896356e+00 3.08 -4.857096852e+00 -4.857096852e+00 3.10 -4.766261031e+00 -4.766261031e+00 3.12 -4.674552822e+00 -4.674552822e+00 3.14 -4.582067972e+00 -4.582067972e+00 3.16 -4.488856755e+00 -4.488856755e+00 3.18 -4.394945724e+00 -4.394945724e+00 3.20 -4.300356033e+00 -4.300356033e+00 3.22 -4.205117424e+00 -4.205117424e+00 3.24 -4.109277870e+00 -4.109277870e+00 3.26 -4.012909228e+00 -4.012909228e+00 3.28 -3.916109313e+00 -3.916109313e+00 3.30 -3.819000736e+00 -3.819000736e+00 3.32 -3.721726850e+00 -3.721726850e+00 3.34 -3.624445276e+00 -3.624445276e+00 3.36 -3.527319684e+00 -3.527319684e+00 3.38 -3.430510714e+00 -3.430510714e+00 3.40 -3.334167034e+00 -3.334167034e+00 3.42 -3.238417540e+00 -3.238417540e+00 3.44 -3.143365424e+00 -3.143365424e+00 3.46 -3.049084657e+00 -3.049084657e+00 3.48 -2.955619070e+00 -2.955619070e+00 3.50 -2.863026220e+00 -2.863026220e+00 3.52 -2.771447278e+00 -2.771447278e+00 3.54 -2.681005356e+00 -2.681005356e+00 3.56 -2.591793510e+00 -2.591793510e+00 3.58 -2.503883731e+00 -2.503883731e+00 3.60 -2.417335393e+00 -2.417335393e+00 3.62 -2.332202851e+00 -2.332202851e+00 3.64 -2.248541916e+00 -2.248541916e+00 3.66 -2.166415032e+00 -2.166415032e+00 3.68 -2.085894993e+00 -2.085894993e+00 3.70 -2.007067083e+00 -2.007067083e+00 3.72 -1.930029562e+00 -1.930029562e+00 3.74 -1.854892477e+00 -1.854892477e+00 3.76 -1.781774843e+00 -1.781774843e+00 3.78 -1.710800364e+00 -1.710800364e+00 3.80 -1.642091965e+00 -1.642091965e+00 3.82 -1.575765548e+00 -1.575765548e+00 3.84 -1.511923467e+00 -1.511923467e+00 3.86 -1.450648295e+00 -1.450648295e+00 3.88 -1.391997457e+00 -1.391997457e+00 3.90 -1.335999243e+00 -1.335999243e+00 3.92 -1.282650622e+00 -1.282650622e+00 3.94 -1.231917082e+00 -1.231917082e+00 3.96 -1.183734505e+00 -1.183734505e+00 3.98 -1.138012905e+00 -1.138012905e+00 4.00 -1.094641596e+00 -1.094641596e+00 4.02 -1.053495252e+00 -1.053495252e+00 4.04 -1.014440250e+00 -1.014440250e+00 4.06 -9.773407023e-01 -9.773407023e-01 4.08 -9.420636894e-01 -9.420636894e-01 4.10 -9.084833262e-01 -9.084833262e-01 4.12 -8.764834907e-01 -8.764834907e-01 4.14 -8.459590661e-01 -8.459590661e-01 4.16 -8.168159366e-01 -8.168159366e-01 4.18 -7.889698495e-01 -7.889698495e-01 4.20 -7.623445146e-01 -7.623445146e-01 4.22 -7.368693114e-01 -7.368693114e-01 4.24 -7.124769885e-01 -7.124769885e-01 4.26 -6.891016838e-01 -6.891016838e-01 4.28 -6.666774879e-01 -6.666774879e-01 4.30 -6.451376486e-01 -6.451376486e-01 4.32 -6.244143846e-01 -6.244143846e-01 4.34 -6.044391821e-01 -6.044391821e-01 4.36 -5.851433942e-01 -5.851433942e-01 4.38 -5.664589584e-01 -5.664589584e-01 4.40 -5.483190762e-01 -5.483190762e-01 4.42 -5.306587509e-01 -5.306587509e-01 4.44 -5.134151339e-01 -5.134151339e-01 4.46 -4.965276880e-01 -4.965276880e-01 4.48 -4.799382093e-01 -4.799382093e-01 4.50 -4.635907865e-01 -4.635907865e-01 4.52 -4.474317820e-01 -4.474317820e-01 4.54 -4.314099264e-01 -4.314099264e-01 4.56 -4.154766045e-01 -4.154766045e-01 4.58 -3.995863957e-01 -3.995863957e-01 4.60 -3.836978977e-01 -3.836978977e-01 4.62 -3.677748633e-01 -3.677748633e-01 4.64 -3.517876176e-01 -3.517876176e-01 4.66 -3.357146475e-01 -3.357146475e-01 4.68 -3.195443491e-01 -3.195443491e-01 4.70 -3.032781135e-01 -3.032781135e-01 4.72 -2.869288937e-01 -2.869288937e-01 4.74 -2.705231562e-01 -2.705231562e-01 4.76 -2.541030178e-01 -2.541030178e-01 4.78 -2.377258273e-01 -2.377258273e-01 4.80 -2.214629434e-01 -2.214629434e-01 4.82 -2.053976012e-01 -2.053976012e-01 4.84 -1.896218507e-01 -1.896218507e-01 4.86 -1.742327103e-01 -1.742327103e-01 4.88 -1.593277688e-01 -1.593277688e-01 4.90 -1.450005865e-01 -1.450005865e-01 4.92 -1.313362889e-01 -1.313362889e-01 4.94 -1.184077353e-01 -1.184077353e-01 4.96 -1.062725833e-01 -1.062725833e-01 4.98 -9.497145174e-02 -9.497145174e-02 5.00 -8.452725192e-02 -8.452725192e-02 5.02 -7.494562531e-02 -7.494562531e-02 5.04 -6.621631485e-02 -6.621631485e-02 5.06 -5.831523066e-02 -5.831523066e-02 5.08 -5.120694301e-02 -5.120694301e-02 5.10 -4.484734783e-02 -4.484734783e-02 5.12 -3.918628792e-02 -3.918628792e-02 5.14 -3.416995903e-02 -3.416995903e-02 5.16 -2.974301685e-02 -2.974301685e-02 5.18 -2.585031287e-02 -2.585031287e-02 5.20 -2.243825075e-02 -2.243825075e-02 5.22 -1.945577451e-02 -1.945577451e-02 5.24 -1.685504876e-02 -1.685504876e-02 5.26 -1.459175659e-02 -1.459175659e-02 5.28 -1.262516129e-02 -1.262516129e-02 5.30 -1.091905906e-02 -1.091905906e-02 5.32 -9.440898993e-03 -9.440898993e-03 5.34 -8.161581009e-03 -8.161581009e-03 5.36 -7.055275690e-03 -7.055275690e-03 5.38 -6.099190854e-03 -6.099190854e-03 5.40 -5.273311306e-03 -5.273311306e-03 5.42 -4.560130322e-03 -4.560130322e-03 5.44 -3.944385446e-03 -3.944385446e-03 5.46 -3.412806707e-03 -3.412806707e-03 5.48 -2.953882079e-03 -2.953882079e-03 5.50 -2.557642666e-03 -2.557642666e-03 5.52 -2.215468518e-03 -2.215468518e-03 5.54 -1.919914855e-03 -1.919914855e-03 5.56 -1.664557816e-03 -1.664557816e-03 5.58 -1.443858418e-03 -1.443858418e-03 5.60 -1.253043210e-03 -1.253043210e-03 5.62 -1.088000027e-03 -1.088000027e-03 5.64 -9.451872373e-04 -9.451872373e-04 5.66 -8.215549798e-04 -8.215549798e-04 5.68 -7.144769533e-04 -7.144769533e-04 5.70 -6.216914663e-04 -6.216914663e-04 5.72 -5.412505651e-04 -5.412505651e-04 5.74 -4.714761870e-04 -4.714761870e-04 5.76 -4.109224081e-04 -4.109224081e-04 5.78 -3.583429615e-04 -3.583429615e-04 5.80 -3.126633077e-04 -3.126633077e-04 5.82 -2.729566282e-04 -2.729566282e-04 5.84 -2.384231983e-04 -2.384231983e-04 5.86 -2.083726651e-04 -2.083726651e-04 5.88 -1.822088234e-04 -1.822088234e-04 5.90 -1.594165368e-04 -1.594165368e-04 5.92 -1.395505006e-04 -1.395505006e-04 5.94 -1.222255853e-04 -1.222255853e-04 5.96 -1.071085376e-04 -1.071085376e-04 5.98 -9.391084474e-05 -9.391084474e-05 6.00 -8.238259802e-05 -8.238259802e-05