# 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 = FeMoNi2 # 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 1.627909392e+02 1.627909392e+02 1.30 1.489984780e+02 1.489984780e+02 1.32 1.363390501e+02 1.363390501e+02 1.34 1.247065579e+02 1.247065579e+02 1.36 1.140060127e+02 1.140060127e+02 1.38 1.041544222e+02 1.041544222e+02 1.40 9.507973758e+01 9.507973758e+01 1.42 8.671911966e+01 8.671911966e+01 1.44 7.901719499e+01 7.901719499e+01 1.46 7.192434154e+01 7.192434154e+01 1.48 6.539515421e+01 6.539515421e+01 1.50 5.938741858e+01 5.938741858e+01 1.52 5.386177846e+01 5.386177846e+01 1.54 4.878183082e+01 4.878183082e+01 1.56 4.411408529e+01 4.411408529e+01 1.58 3.982756593e+01 3.982756593e+01 1.60 3.589336879e+01 3.589336879e+01 1.62 3.228448547e+01 3.228448547e+01 1.64 2.897582998e+01 2.897582998e+01 1.66 2.594617661e+01 2.594617661e+01 1.68 2.317456874e+01 2.317456874e+01 1.70 2.063981358e+01 2.063981358e+01 1.72 1.832169364e+01 1.832169364e+01 1.74 1.620086494e+01 1.620086494e+01 1.76 1.425904420e+01 1.425904420e+01 1.78 1.247935128e+01 1.247935128e+01 1.80 1.084664457e+01 1.084664457e+01 1.82 9.347721223e+00 9.347721223e+00 1.84 7.971317324e+00 7.971317324e+00 1.86 6.707907428e+00 6.707907428e+00 1.88 5.549362704e+00 5.549362704e+00 1.90 4.488561666e+00 4.488561666e+00 1.92 3.519038192e+00 3.519038192e+00 1.94 2.634717290e+00 2.634717290e+00 1.96 1.829755178e+00 1.829755178e+00 1.98 1.098472240e+00 1.098472240e+00 2.00 4.353477192e-01 4.353477192e-01 2.02 -1.649582354e-01 -1.649582354e-01 2.04 -7.075768812e-01 -7.075768812e-01 2.06 -1.197403979e+00 -1.197403979e+00 2.08 -1.639072335e+00 -1.639072335e+00 2.10 -2.036921817e+00 -2.036921817e+00 2.12 -2.394967411e+00 -2.394967411e+00 2.14 -2.716869944e+00 -2.716869944e+00 2.16 -3.005918008e+00 -3.005918008e+00 2.18 -3.265030183e+00 -3.265030183e+00 2.20 -3.496781862e+00 -3.496781862e+00 2.22 -3.703452796e+00 -3.703452796e+00 2.24 -3.887085064e+00 -3.887085064e+00 2.26 -4.049540671e+00 -4.049540671e+00 2.28 -4.192552354e+00 -4.192552354e+00 2.30 -4.317627824e+00 -4.317627824e+00 2.32 -4.426365186e+00 -4.426365186e+00 2.34 -4.520540253e+00 -4.520540253e+00 2.36 -4.601770802e+00 -4.601770802e+00 2.38 -4.671479959e+00 -4.671479959e+00 2.40 -4.730858010e+00 -4.730858010e+00 2.42 -4.780841674e+00 -4.780841674e+00 2.44 -4.821960301e+00 -4.821960301e+00 2.46 -4.854438412e+00 -4.854438412e+00 2.48 -4.878482474e+00 -4.878482474e+00 2.50 -4.894316291e+00 -4.894316291e+00 2.52 -4.902190205e+00 -4.902190205e+00 2.54 -4.902391400e+00 -4.902391400e+00 2.56 -4.895243400e+00 -4.895243400e+00 2.58 -4.881098824e+00 -4.881098824e+00 2.60 -4.860331052e+00 -4.860331052e+00 2.62 -4.833328879e+00 -4.833328879e+00 2.64 -4.800490762e+00 -4.800490762e+00 2.66 -4.762090871e+00 -4.762090871e+00 2.68 -4.718227186e+00 -4.718227186e+00 2.70 -4.669059773e+00 -4.669059773e+00 2.72 -4.614831899e+00 -4.614831899e+00 2.74 -4.555862993e+00 -4.555862993e+00 2.76 -4.492536194e+00 -4.492536194e+00 2.78 -4.425195363e+00 -4.425195363e+00 2.80 -4.354064383e+00 -4.354064383e+00 2.82 -4.279384018e+00 -4.279384018e+00 2.84 -4.201412551e+00 -4.201412551e+00 2.86 -4.120414748e+00 -4.120414748e+00 2.88 -4.036657267e+00 -4.036657267e+00 2.90 -3.950408484e+00 -3.950408484e+00 2.92 -3.861940351e+00 -3.861940351e+00 2.94 -3.771530304e+00 -3.771530304e+00 2.96 -3.679461725e+00 -3.679461725e+00 2.98 -3.586021984e+00 -3.586021984e+00 3.00 -3.491497672e+00 -3.491497672e+00 3.02 -3.396167254e+00 -3.396167254e+00 3.04 -3.300292103e+00 -3.300292103e+00 3.06 -3.204107439e+00 -3.204107439e+00 3.08 -3.107814884e+00 -3.107814884e+00 3.10 -3.011578119e+00 -3.011578119e+00 3.12 -2.915522545e+00 -2.915522545e+00 3.14 -2.819739055e+00 -2.819739055e+00 3.16 -2.724291369e+00 -2.724291369e+00 3.18 -2.629225855e+00 -2.629225855e+00 3.20 -2.534582568e+00 -2.534582568e+00 3.22 -2.440406254e+00 -2.440406254e+00 3.24 -2.346756242e+00 -2.346756242e+00 3.26 -2.253714451e+00 -2.253714451e+00 3.28 -2.161391014e+00 -2.161391014e+00 3.30 -2.069927323e+00 -2.069927323e+00 3.32 -1.979496521e+00 -1.979496521e+00 3.34 -1.890301609e+00 -1.890301609e+00 3.36 -1.802571430e+00 -1.802571430e+00 3.38 -1.716554762e+00 -1.716554762e+00 3.40 -1.632512816e+00 -1.632512816e+00 3.42 -1.550710385e+00 -1.550710385e+00 3.44 -1.471406021e+00 -1.471406021e+00 3.46 -1.394841741e+00 -1.394841741e+00 3.48 -1.321232902e+00 -1.321232902e+00 3.50 -1.250759001e+00 -1.250759001e+00 3.52 -1.183556171e+00 -1.183556171e+00 3.54 -1.119712007e+00 -1.119712007e+00 3.56 -1.059263153e+00 -1.059263153e+00 3.58 -1.002195771e+00 -1.002195771e+00 3.60 -9.484486914e-01 -9.484486914e-01 3.62 -8.979188467e-01 -8.979188467e-01 3.64 -8.504683725e-01 -8.504683725e-01 3.66 -8.059327521e-01 -8.059327521e-01 3.68 -7.641293827e-01 -7.641293827e-01 3.70 -7.248660383e-01 -7.248660383e-01 3.72 -6.879488131e-01 -6.879488131e-01 3.74 -6.531892291e-01 -6.531892291e-01 3.76 -6.204102654e-01 -6.204102654e-01 3.78 -5.894511087e-01 -5.894511087e-01 3.80 -5.601704433e-01 -5.601704433e-01 3.82 -5.324481196e-01 -5.324481196e-01 3.84 -5.061850984e-01 -5.061850984e-01 3.86 -4.813016794e-01 -4.813016794e-01 3.88 -4.577341955e-01 -4.577341955e-01 3.90 -4.354305663e-01 -4.354305663e-01 3.92 -4.143452859e-01 -4.143452859e-01 3.94 -3.944345235e-01 -3.944345235e-01 3.96 -3.756519799e-01 -3.756519799e-01 3.98 -3.579459713e-01 -3.579459713e-01 4.00 -3.412579537e-01 -3.412579537e-01 4.02 -3.255224230e-01 -3.255224230e-01 4.04 -3.106679121e-01 -3.106679121e-01 4.06 -2.966186851e-01 -2.966186851e-01 4.08 -2.832967382e-01 -2.832967382e-01 4.10 -2.706237709e-01 -2.706237709e-01 4.12 -2.585224748e-01 -2.585224748e-01 4.14 -2.469188331e-01 -2.469188331e-01 4.16 -2.357430776e-01 -2.357430776e-01 4.18 -2.249297586e-01 -2.249297586e-01 4.20 -2.144184340e-01 -2.144184340e-01 4.22 -2.041542067e-01 -2.041542067e-01 4.24 -1.940882266e-01 -1.940882266e-01 4.26 -1.841782487e-01 -1.841782487e-01 4.28 -1.743892966e-01 -1.743892966e-01 4.30 -1.646944464e-01 -1.646944464e-01 4.32 -1.550756943e-01 -1.550756943e-01 4.34 -1.455248313e-01 -1.455248313e-01 4.36 -1.360441984e-01 -1.360441984e-01 4.38 -1.266471637e-01 -1.266471637e-01 4.40 -1.173581423e-01 -1.173581423e-01 4.42 -1.082119936e-01 -1.082119936e-01 4.44 -9.925267113e-02 -9.925267113e-02 4.46 -9.053109229e-02 -9.053109229e-02 4.48 -8.210230005e-02 -8.210230005e-02 4.50 -7.402211817e-02 -7.402211817e-02 4.52 -6.634360358e-02 -6.634360358e-02 4.54 -5.911366094e-02 -5.911366094e-02 4.56 -5.237018029e-02 -5.237018029e-02 4.58 -4.613998646e-02 -4.613998646e-02 4.60 -4.043777489e-02 -4.043777489e-02 4.62 -3.526604863e-02 -3.526604863e-02 4.64 -3.061594605e-02 -3.061594605e-02 4.66 -2.646875008e-02 -2.646875008e-02 4.68 -2.279784016e-02 -2.279784016e-02 4.70 -1.957082812e-02 -1.957082812e-02 4.72 -1.675161520e-02 -1.675161520e-02 4.74 -1.430162898e-02 -1.430162898e-02 4.76 -1.218303633e-02 -1.218303633e-02 4.78 -1.035921243e-02 -1.035921243e-02 4.80 -8.795162544e-03 -8.795162544e-03 4.82 -7.458247231e-03 -7.458247231e-03 4.84 -6.318602112e-03 -6.318602112e-03 4.86 -5.349321696e-03 -5.349321696e-03 4.88 -4.526470182e-03 -4.526470182e-03 4.90 -3.828973159e-03 -3.828973159e-03 4.92 -3.238433374e-03 -3.238433374e-03 4.94 -2.738903607e-03 -2.738903607e-03 4.96 -2.316640830e-03 -2.316640830e-03 4.98 -1.959858492e-03 -1.959858492e-03 5.00 -1.658488045e-03 -1.658488045e-03 5.02 -1.403956495e-03 -1.403956495e-03 5.04 -1.188983606e-03 -1.188983606e-03 5.06 -1.007400214e-03 -1.007400214e-03 5.08 -8.539876204e-04 -8.539876204e-04 5.10 -7.243371026e-04 -7.243371026e-04 5.12 -6.147280641e-04 -6.147280641e-04 5.14 -5.220230526e-04 -5.220230526e-04 5.16 -4.435778072e-04 -4.435778072e-04 5.18 -3.771645206e-04 -3.771645206e-04 5.20 -3.209066070e-04 -3.209066070e-04 5.22 -2.732234104e-04 -2.732234104e-04 5.24 -2.327834467e-04 -2.327834467e-04 5.26 -1.984649339e-04 -1.984649339e-04 5.28 -1.693225234e-04 -1.693225234e-04 5.30 -1.445592883e-04 -1.445592883e-04 5.32 -1.235031576e-04 -1.235031576e-04 5.34 -1.055871040e-04 -1.055871040e-04 5.36 -9.033249170e-05 -9.033249170e-05 5.38 -7.733508533e-05 -7.733508533e-05 5.40 -6.625329494e-05 -6.625329494e-05 5.42 -5.679829948e-05 -5.679829948e-05 5.44 -4.872574756e-05 -4.872574756e-05 5.46 -4.182878201e-05 -4.182878201e-05 5.48 -3.593217524e-05 -3.593217524e-05 5.50 -3.088739686e-05 -3.088739686e-05 5.52 -2.656846355e-05 -2.656846355e-05 5.54 -2.286844552e-05 -2.286844552e-05 5.56 -1.969652429e-05 -1.969652429e-05 5.58 -1.697551334e-05 -1.697551334e-05 5.60 -1.463976777e-05 -1.463976777e-05 5.62 -1.263342084e-05 -1.263342084e-05 5.64 -1.090889539e-05 -1.090889539e-05 5.66 -9.425646528e-06 -9.425646528e-06 5.68 -8.149099038e-06 -8.149099038e-06 5.70 -7.049748650e-06 -7.049748650e-06 5.72 -6.102401553e-06 -6.102401553e-06 5.74 -5.285530378e-06 -5.285530378e-06 5.76 -4.580728486e-06 -4.580728486e-06 5.78 -3.972247252e-06 -3.972247252e-06 5.80 -3.446603452e-06 -3.446603452e-06 5.82 -2.992245928e-06 -2.992245928e-06 5.84 -2.599272373e-06 -2.599272373e-06 5.86 -2.259188561e-06 -2.259188561e-06 5.88 -1.964703511e-06 -1.964703511e-06 5.90 -1.709555114e-06 -1.709555114e-06 5.92 -1.488361597e-06 -1.488361597e-06 5.94 -1.296494910e-06 -1.296494910e-06 5.96 -1.129972725e-06 -1.129972725e-06 5.98 -9.853662695e-07 -9.853662695e-07 6.00 -8.597215983e-07 -8.597215983e-07