# 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 = Fe2MgNi # 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 2.312482635e+02 2.312482635e+02 1.30 2.119760222e+02 2.119760222e+02 1.32 1.942888203e+02 1.942888203e+02 1.34 1.780435846e+02 1.780435846e+02 1.36 1.631142734e+02 1.631142734e+02 1.38 1.493904608e+02 1.493904608e+02 1.40 1.367743369e+02 1.367743369e+02 1.42 1.251777956e+02 1.251777956e+02 1.44 1.145204655e+02 1.145204655e+02 1.46 1.047285451e+02 1.047285451e+02 1.48 9.573402032e+01 9.573402032e+01 1.50 8.747401931e+01 8.747401931e+01 1.52 7.989030787e+01 7.989030787e+01 1.54 7.292893247e+01 7.292893247e+01 1.56 6.653989443e+01 6.653989443e+01 1.58 6.067674985e+01 6.067674985e+01 1.60 5.529620372e+01 5.529620372e+01 1.62 5.035838845e+01 5.035838845e+01 1.64 4.582641878e+01 4.582641878e+01 1.66 4.166661706e+01 4.166661706e+01 1.68 3.784812835e+01 3.784812835e+01 1.70 3.434252996e+01 3.434252996e+01 1.72 3.112356030e+01 3.112356030e+01 1.74 2.816696613e+01 2.816696613e+01 1.76 2.545048740e+01 2.545048740e+01 1.78 2.295392090e+01 2.295392090e+01 1.80 2.065914251e+01 2.065914251e+01 1.82 1.855000505e+01 1.855000505e+01 1.84 1.661210310e+01 1.661210310e+01 1.86 1.483247260e+01 1.483247260e+01 1.88 1.319928835e+01 1.319928835e+01 1.90 1.170161047e+01 1.170161047e+01 1.92 1.032919317e+01 1.032919317e+01 1.94 9.072355978e+00 9.072355978e+00 1.96 7.921911070e+00 7.921911070e+00 1.98 6.869144966e+00 6.869144966e+00 2.00 5.905842223e+00 5.905842223e+00 2.02 5.024333912e+00 5.024333912e+00 2.04 4.217553785e+00 4.217553785e+00 2.06 3.479083095e+00 3.479083095e+00 2.08 2.803166428e+00 2.803166428e+00 2.10 2.184689435e+00 2.184689435e+00 2.12 1.619120607e+00 1.619120607e+00 2.14 1.102428654e+00 1.102428654e+00 2.16 6.309915647e-01 6.309915647e-01 2.18 2.015083062e-01 2.015083062e-01 2.20 -1.890762608e-01 -1.890762608e-01 2.22 -5.436294330e-01 -5.436294330e-01 2.24 -8.648667328e-01 -8.648667328e-01 2.26 -1.155368271e+00 -1.155368271e+00 2.28 -1.417582519e+00 -1.417582519e+00 2.30 -1.653822993e+00 -1.653822993e+00 2.32 -1.866266835e+00 -1.866266835e+00 2.34 -2.056948350e+00 -2.056948350e+00 2.36 -2.227747505e+00 -2.227747505e+00 2.38 -2.380375453e+00 -2.380375453e+00 2.40 -2.516365638e+00 -2.516365638e+00 2.42 -2.637074349e+00 -2.637074349e+00 2.44 -2.743696824e+00 -2.743696824e+00 2.46 -2.837303384e+00 -2.837303384e+00 2.48 -2.918821721e+00 -2.918821721e+00 2.50 -2.988948519e+00 -2.988948519e+00 2.52 -3.048313241e+00 -3.048313241e+00 2.54 -3.097553279e+00 -3.097553279e+00 2.56 -3.137308270e+00 -3.137308270e+00 2.58 -3.168212261e+00 -3.168212261e+00 2.60 -3.190849987e+00 -3.190849987e+00 2.62 -3.205530100e+00 -3.205530100e+00 2.64 -3.212481302e+00 -3.212481302e+00 2.66 -3.211979043e+00 -3.211979043e+00 2.68 -3.204339307e+00 -3.204339307e+00 2.70 -3.189915624e+00 -3.189915624e+00 2.72 -3.169098829e+00 -3.169098829e+00 2.74 -3.142316585e+00 -3.142316585e+00 2.76 -3.110030373e+00 -3.110030373e+00 2.78 -3.072728937e+00 -3.072728937e+00 2.80 -3.030919604e+00 -3.030919604e+00 2.82 -2.985117208e+00 -2.985117208e+00 2.84 -2.935834689e+00 -2.935834689e+00 2.86 -2.883573617e+00 -2.883573617e+00 2.88 -2.828815095e+00 -2.828815095e+00 2.90 -2.772010434e+00 -2.772010434e+00 2.92 -2.713571846e+00 -2.713571846e+00 2.94 -2.653864180e+00 -2.653864180e+00 2.96 -2.593208969e+00 -2.593208969e+00 2.98 -2.531878439e+00 -2.531878439e+00 3.00 -2.470038922e+00 -2.470038922e+00 3.02 -2.407810870e+00 -2.407810870e+00 3.04 -2.345279326e+00 -2.345279326e+00 3.06 -2.282503373e+00 -2.282503373e+00 3.08 -2.219519163e+00 -2.219519163e+00 3.10 -2.156288585e+00 -2.156288585e+00 3.12 -2.092736766e+00 -2.092736766e+00 3.14 -2.028815759e+00 -2.028815759e+00 3.16 -1.964511688e+00 -1.964511688e+00 3.18 -1.899853045e+00 -1.899853045e+00 3.20 -1.834916293e+00 -1.834916293e+00 3.22 -1.769829760e+00 -1.769829760e+00 3.24 -1.704774550e+00 -1.704774550e+00 3.26 -1.639981532e+00 -1.639981532e+00 3.28 -1.575723787e+00 -1.575723787e+00 3.30 -1.512304455e+00 -1.512304455e+00 3.32 -1.450040725e+00 -1.450040725e+00 3.34 -1.389245544e+00 -1.389245544e+00 3.36 -1.330209219e+00 -1.330209219e+00 3.38 -1.273183168e+00 -1.273183168e+00 3.40 -1.218367668e+00 -1.218367668e+00 3.42 -1.165905075e+00 -1.165905075e+00 3.44 -1.115877649e+00 -1.115877649e+00 3.46 -1.068310806e+00 -1.068310806e+00 3.48 -1.023179509e+00 -1.023179509e+00 3.50 -9.804169025e-01 -9.804169025e-01 3.52 -9.399238419e-01 -9.399238419e-01 3.54 -9.015782605e-01 -9.015782605e-01 3.56 -8.652436632e-01 -8.652436632e-01 3.58 -8.307763363e-01 -8.307763363e-01 3.60 -7.980311341e-01 -7.980311341e-01 3.62 -7.668658999e-01 -7.668658999e-01 3.64 -7.371446976e-01 -7.371446976e-01 3.66 -7.087400925e-01 -7.087400925e-01 3.68 -6.815347322e-01 -6.815347322e-01 3.70 -6.554224551e-01 -6.554224551e-01 3.72 -6.303091047e-01 -6.303091047e-01 3.74 -6.061131636e-01 -6.061131636e-01 3.76 -5.827662447e-01 -5.827662447e-01 3.78 -5.602133925e-01 -5.602133925e-01 3.80 -5.384130777e-01 -5.384130777e-01 3.82 -5.173367196e-01 -5.173367196e-01 3.84 -4.969675658e-01 -4.969675658e-01 3.86 -4.772988201e-01 -4.772988201e-01 3.88 -4.583310259e-01 -4.583310259e-01 3.90 -4.400688725e-01 -4.400688725e-01 3.92 -4.225176428e-01 -4.225176428e-01 3.94 -4.056803831e-01 -4.056803831e-01 3.96 -3.895544962e-01 -3.895544962e-01 3.98 -3.741304534e-01 -3.741304534e-01 4.00 -3.593909065e-01 -3.593909065e-01 4.02 -3.453108955e-01 -3.453108955e-01 4.04 -3.318588309e-01 -3.318588309e-01 4.06 -3.189979883e-01 -3.189979883e-01 4.08 -3.066875569e-01 -3.066875569e-01 4.10 -2.948844578e-01 -2.948844578e-01 4.12 -2.835481576e-01 -2.835481576e-01 4.14 -2.726369116e-01 -2.726369116e-01 4.16 -2.621105248e-01 -2.621105248e-01 4.18 -2.519307596e-01 -2.519307596e-01 4.20 -2.420618993e-01 -2.420618993e-01 4.22 -2.324711391e-01 -2.324711391e-01 4.24 -2.231288938e-01 -2.231288938e-01 4.26 -2.140090922e-01 -2.140090922e-01 4.28 -2.050894985e-01 -2.050894985e-01 4.30 -1.963520781e-01 -1.963520781e-01 4.32 -1.877833988e-01 -1.877833988e-01 4.34 -1.793750316e-01 -1.793750316e-01 4.36 -1.711238945e-01 -1.711238945e-01 4.38 -1.630324610e-01 -1.630324610e-01 4.40 -1.551087481e-01 -1.551087481e-01 4.42 -1.473660035e-01 -1.473660035e-01 4.44 -1.398220319e-01 -1.398220319e-01 4.46 -1.324981451e-01 -1.324981451e-01 4.48 -1.254177710e-01 -1.254177710e-01 4.50 -1.186048203e-01 -1.186048203e-01 4.52 -1.120819582e-01 -1.120819582e-01 4.54 -1.058689570e-01 -1.058689570e-01 4.56 -9.998130542e-02 -9.998130542e-02 4.58 -9.442921283e-02 -9.442921283e-02 4.60 -8.921708991e-02 -8.921708991e-02 4.62 -8.434351567e-02 -8.434351567e-02 4.64 -7.980163729e-02 -7.980163729e-02 4.66 -7.557990204e-02 -7.557990204e-02 4.68 -7.166299733e-02 -7.166299733e-02 4.70 -6.803287590e-02 -6.803287590e-02 4.72 -6.466976065e-02 -6.466976065e-02 4.74 -6.155305202e-02 -6.155305202e-02 4.76 -5.866209108e-02 -5.866209108e-02 4.78 -5.597675845e-02 -5.597675845e-02 4.80 -5.347770496e-02 -5.347770496e-02 4.82 -5.114750029e-02 -5.114750029e-02 4.84 -4.896944001e-02 -4.896944001e-02 4.86 -4.692855360e-02 -4.692855360e-02 4.88 -4.501138417e-02 -4.501138417e-02 4.90 -4.320590608e-02 -4.320590608e-02 4.92 -4.150143100e-02 -4.150143100e-02 4.94 -3.988849679e-02 -3.988849679e-02 4.96 -3.835874817e-02 -3.835874817e-02 4.98 -3.690481690e-02 -3.690481690e-02 5.00 -3.552020563e-02 -3.552020563e-02 5.02 -3.419918037e-02 -3.419918037e-02 5.04 -3.293667225e-02 -3.293667225e-02 5.06 -3.172818964e-02 -3.172818964e-02 5.08 -3.056974059e-02 -3.056974059e-02 5.10 -2.945776550e-02 -2.945776550e-02 5.12 -2.838907933e-02 -2.838907933e-02 5.14 -2.736082271e-02 -2.736082271e-02 5.16 -2.637042117e-02 -2.637042117e-02 5.18 -2.541555179e-02 -2.541555179e-02 5.20 -2.449411645e-02 -2.449411645e-02 5.22 -2.360422101e-02 -2.360422101e-02 5.24 -2.274415965e-02 -2.274415965e-02 5.26 -2.191240353e-02 -2.191240353e-02 5.28 -2.110759291e-02 -2.110759291e-02 5.30 -2.032853173e-02 -2.032853173e-02 5.32 -1.957418346e-02 -1.957418346e-02 5.34 -1.884366686e-02 -1.884366686e-02 5.36 -1.813620386e-02 -1.813620386e-02 5.38 -1.745117942e-02 -1.745117942e-02 5.40 -1.678814969e-02 -1.678814969e-02 5.42 -1.614678224e-02 -1.614678224e-02 5.44 -1.552683503e-02 -1.552683503e-02 5.46 -1.492813073e-02 -1.492813073e-02 5.48 -1.435052781e-02 -1.435052781e-02 5.50 -1.379388976e-02 -1.379388976e-02 5.52 -1.325805497e-02 -1.325805497e-02 5.54 -1.274280957e-02 -1.274280957e-02 5.56 -1.224786524e-02 -1.224786524e-02 5.58 -1.177284388e-02 -1.177284388e-02 5.60 -1.131726980e-02 -1.131726980e-02 5.62 -1.088056941e-02 -1.088056941e-02 5.64 -1.046207771e-02 -1.046207771e-02 5.66 -1.006105001e-02 -1.006105001e-02 5.68 -9.676677334e-03 -9.676677334e-03 5.70 -9.308103492e-03 -9.308103492e-03 5.72 -8.954442436e-03 -8.954442436e-03 5.74 -8.614794488e-03 -8.614794488e-03 5.76 -8.288260631e-03 -8.288260631e-03 5.78 -7.973954377e-03 -7.973954377e-03 5.80 -7.671011072e-03 -7.671011072e-03 5.82 -7.378594793e-03 -7.378594793e-03 5.84 -7.095903136e-03 -7.095903136e-03 5.86 -6.822170306e-03 -6.822170306e-03 5.88 -6.556668990e-03 -6.556668990e-03 5.90 -6.298711436e-03 -6.298711436e-03 5.92 -6.047650184e-03 -6.047650184e-03 5.94 -5.802878797e-03 -5.802878797e-03 5.96 -5.563832915e-03 -5.563832915e-03 5.98 -5.329991861e-03 -5.329991861e-03 6.00 -5.100880987e-03 -5.100880987e-03