# 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 = FeTiW2 # 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 3.439405840e+02 3.439405840e+02 1.30 3.163207652e+02 3.163207652e+02 1.32 2.909193762e+02 2.909193762e+02 1.34 2.675369900e+02 2.675369900e+02 1.36 2.459898835e+02 2.459898835e+02 1.38 2.261115665e+02 2.261115665e+02 1.40 2.077542453e+02 2.077542453e+02 1.42 1.907890961e+02 1.907890961e+02 1.44 1.751049965e+02 1.751049965e+02 1.46 1.606058369e+02 1.606058369e+02 1.48 1.472069757e+02 1.472069757e+02 1.50 1.348318488e+02 1.348318488e+02 1.52 1.234095741e+02 1.234095741e+02 1.54 1.128737381e+02 1.128737381e+02 1.56 1.031620090e+02 1.031620090e+02 1.58 9.421601459e+01 9.421601459e+01 1.60 8.598107443e+01 8.598107443e+01 1.62 7.840572982e+01 7.840572982e+01 1.64 7.144120527e+01 7.144120527e+01 1.66 6.504091344e+01 6.504091344e+01 1.68 5.916011042e+01 5.916011042e+01 1.70 5.375583533e+01 5.375583533e+01 1.72 4.878718166e+01 4.878718166e+01 1.74 4.421576256e+01 4.421576256e+01 1.76 4.000612457e+01 4.000612457e+01 1.78 3.612596318e+01 3.612596318e+01 1.80 3.254617500e+01 3.254617500e+01 1.82 2.924085030e+01 2.924085030e+01 1.84 2.618723417e+01 2.618723417e+01 1.86 2.336600345e+01 2.336600345e+01 1.88 2.076121669e+01 2.076121669e+01 1.90 1.835818247e+01 1.835818247e+01 1.92 1.614395127e+01 1.614395127e+01 1.94 1.410645707e+01 1.410645707e+01 1.96 1.223438666e+01 1.223438666e+01 1.98 1.051684904e+01 1.051684904e+01 2.00 8.943234844e+00 8.943234844e+00 2.02 7.503159524e+00 7.503159524e+00 2.04 6.186446577e+00 6.186446577e+00 2.06 4.983147472e+00 4.983147472e+00 2.08 3.883602774e+00 3.883602774e+00 2.10 2.878540737e+00 2.878540737e+00 2.12 1.959199320e+00 1.959199320e+00 2.14 1.117452817e+00 1.117452817e+00 2.16 3.459228614e-01 3.459228614e-01 2.18 -3.619487985e-01 -3.619487985e-01 2.20 -1.011884698e+00 -1.011884698e+00 2.22 -1.608819828e+00 -1.608819828e+00 2.24 -2.157000665e+00 -2.157000665e+00 2.26 -2.660108642e+00 -2.660108642e+00 2.28 -3.121380481e+00 -3.121380481e+00 2.30 -3.543706678e+00 -3.543706678e+00 2.32 -3.929703575e+00 -3.929703575e+00 2.34 -4.281760725e+00 -4.281760725e+00 2.36 -4.602072734e+00 -4.602072734e+00 2.38 -4.892663152e+00 -4.892663152e+00 2.40 -5.155406534e+00 -5.155406534e+00 2.42 -5.392049561e+00 -5.392049561e+00 2.44 -5.604228992e+00 -5.604228992e+00 2.46 -5.793484649e+00 -5.793484649e+00 2.48 -5.961128087e+00 -5.961128087e+00 2.50 -6.108538449e+00 -6.108538449e+00 2.52 -6.237172223e+00 -6.237172223e+00 2.54 -6.348367254e+00 -6.348367254e+00 2.56 -6.443345436e+00 -6.443345436e+00 2.58 -6.523215807e+00 -6.523215807e+00 2.60 -6.588980019e+00 -6.588980019e+00 2.62 -6.641536788e+00 -6.641536788e+00 2.64 -6.681414065e+00 -6.681414065e+00 2.66 -6.708665017e+00 -6.708665017e+00 2.68 -6.723368310e+00 -6.723368310e+00 2.70 -6.725665869e+00 -6.725665869e+00 2.72 -6.715753253e+00 -6.715753253e+00 2.74 -6.693871424e+00 -6.693871424e+00 2.76 -6.660299839e+00 -6.660299839e+00 2.78 -6.615351520e+00 -6.615351520e+00 2.80 -6.559410037e+00 -6.559410037e+00 2.82 -6.492862653e+00 -6.492862653e+00 2.84 -6.416063548e+00 -6.416063548e+00 2.86 -6.329434068e+00 -6.329434068e+00 2.88 -6.233475073e+00 -6.233475073e+00 2.90 -6.128779658e+00 -6.128779658e+00 2.92 -6.016044104e+00 -6.016044104e+00 2.94 -5.896070830e+00 -5.896070830e+00 2.96 -5.769690490e+00 -5.769690490e+00 2.98 -5.637769047e+00 -5.637769047e+00 3.00 -5.501279519e+00 -5.501279519e+00 3.02 -5.361260900e+00 -5.361260900e+00 3.04 -5.218762041e+00 -5.218762041e+00 3.06 -5.074791858e+00 -5.074791858e+00 3.08 -4.930264598e+00 -4.930264598e+00 3.10 -4.785956245e+00 -4.785956245e+00 3.12 -4.642478303e+00 -4.642478303e+00 3.14 -4.500272209e+00 -4.500272209e+00 3.16 -4.359560546e+00 -4.359560546e+00 3.18 -4.220290011e+00 -4.220290011e+00 3.20 -4.082304759e+00 -4.082304759e+00 3.22 -3.945402348e+00 -3.945402348e+00 3.24 -3.809362619e+00 -3.809362619e+00 3.26 -3.673972603e+00 -3.673972603e+00 3.28 -3.539046879e+00 -3.539046879e+00 3.30 -3.404443913e+00 -3.404443913e+00 3.32 -3.270079437e+00 -3.270079437e+00 3.34 -3.135937910e+00 -3.135937910e+00 3.36 -3.002082639e+00 -3.002082639e+00 3.38 -2.868664397e+00 -2.868664397e+00 3.40 -2.735927570e+00 -2.735927570e+00 3.42 -2.604212389e+00 -2.604212389e+00 3.44 -2.473951301e+00 -2.473951301e+00 3.46 -2.345658398e+00 -2.345658398e+00 3.48 -2.219911099e+00 -2.219911099e+00 3.50 -2.097324755e+00 -2.097324755e+00 3.52 -1.978521901e+00 -1.978521901e+00 3.54 -1.864098889e+00 -1.864098889e+00 3.56 -1.754593209e+00 -1.754593209e+00 3.58 -1.650454855e+00 -1.650454855e+00 3.60 -1.552024632e+00 -1.552024632e+00 3.62 -1.459521386e+00 -1.459521386e+00 3.64 -1.373038859e+00 -1.373038859e+00 3.66 -1.292551594e+00 -1.292551594e+00 3.68 -1.217928159e+00 -1.217928159e+00 3.70 -1.148949317e+00 -1.148949317e+00 3.72 -1.085328544e+00 -1.085328544e+00 3.74 -1.026732635e+00 -1.026732635e+00 3.76 -9.728006741e-01 -9.728006741e-01 3.78 -9.231603037e-01 -9.231603037e-01 3.80 -8.774408175e-01 -8.774408175e-01 3.82 -8.352830603e-01 -8.352830603e-01 3.84 -7.963464017e-01 -7.963464017e-01 3.86 -7.603132080e-01 -7.603132080e-01 3.88 -7.268912953e-01 -7.268912953e-01 3.90 -6.958148269e-01 -6.958148269e-01 3.92 -6.668440446e-01 -6.668440446e-01 3.94 -6.397643556e-01 -6.397643556e-01 3.96 -6.143846086e-01 -6.143846086e-01 3.98 -5.905353928e-01 -5.905353928e-01 4.00 -5.680670377e-01 -5.680670377e-01 4.02 -5.468476308e-01 -5.468476308e-01 4.04 -5.267610911e-01 -5.267610911e-01 4.06 -5.077053541e-01 -5.077053541e-01 4.08 -4.895906944e-01 -4.895906944e-01 4.10 -4.723380113e-01 -4.723380113e-01 4.12 -4.558778335e-01 -4.558778335e-01 4.14 -4.401490175e-01 -4.401490175e-01 4.16 -4.250975652e-01 -4.250975652e-01 4.18 -4.106755892e-01 -4.106755892e-01 4.20 -3.968405243e-01 -3.968405243e-01 4.22 -3.835544293e-01 -3.835544293e-01 4.24 -3.707833737e-01 -3.707833737e-01 4.26 -3.584969031e-01 -3.584969031e-01 4.28 -3.466675747e-01 -3.466675747e-01 4.30 -3.352705558e-01 -3.352705558e-01 4.32 -3.242832760e-01 -3.242832760e-01 4.34 -3.136851276e-01 -3.136851276e-01 4.36 -3.034572065e-01 -3.034572065e-01 4.38 -2.935820889e-01 -2.935820889e-01 4.40 -2.840436381e-01 -2.840436381e-01 4.42 -2.748268372e-01 -2.748268372e-01 4.44 -2.659176443e-01 -2.659176443e-01 4.46 -2.573028663e-01 -2.573028663e-01 4.48 -2.489700496e-01 -2.489700496e-01 4.50 -2.409073838e-01 -2.409073838e-01 4.52 -2.331036187e-01 -2.331036187e-01 4.54 -2.255479909e-01 -2.255479909e-01 4.56 -2.182301607e-01 -2.182301607e-01 4.58 -2.111401568e-01 -2.111401568e-01 4.60 -2.042683306e-01 -2.042683306e-01 4.62 -1.976053175e-01 -1.976053175e-01 4.64 -1.911420080e-01 -1.911420080e-01 4.66 -1.848695275e-01 -1.848695275e-01 4.68 -1.787792270e-01 -1.787792270e-01 4.70 -1.728626859e-01 -1.728626859e-01 4.72 -1.671117290e-01 -1.671117290e-01 4.74 -1.615184584e-01 -1.615184584e-01 4.76 -1.560753046e-01 -1.560753046e-01 4.78 -1.507750952e-01 -1.507750952e-01 4.80 -1.456111025e-01 -1.456111025e-01 4.82 -1.405773255e-01 -1.405773255e-01 4.84 -1.356683387e-01 -1.356683387e-01 4.86 -1.308796146e-01 -1.308796146e-01 4.88 -1.262076034e-01 -1.262076034e-01 4.90 -1.216498469e-01 -1.216498469e-01 4.92 -1.172050610e-01 -1.172050610e-01 4.94 -1.128731664e-01 -1.128731664e-01 4.96 -1.086552487e-01 -1.086552487e-01 4.98 -1.045534370e-01 -1.045534370e-01 5.00 -1.005706932e-01 -1.005706932e-01 5.02 -9.671051776e-02 -9.671051776e-02 5.04 -9.297659067e-02 -9.297659067e-02 5.06 -8.937237831e-02 -8.937237831e-02 5.08 -8.590065603e-02 -8.590065603e-02 5.10 -8.256312562e-02 -8.256312562e-02 5.12 -7.936063995e-02 -7.936063995e-02 5.14 -7.629265366e-02 -7.629265366e-02 5.16 -7.335714464e-02 -7.335714464e-02 5.18 -7.055067578e-02 -7.055067578e-02 5.20 -6.786854442e-02 -6.786854442e-02 5.22 -6.530499220e-02 -6.530499220e-02 5.24 -6.285344584e-02 -6.285344584e-02 5.26 -6.050676251e-02 -6.050676251e-02 5.28 -5.825745901e-02 -5.825745901e-02 5.30 -5.609791116e-02 -5.609791116e-02 5.32 -5.402051663e-02 -5.402051663e-02 5.34 -5.201782010e-02 -5.201782010e-02 5.36 -5.008260370e-02 -5.008260370e-02 5.38 -4.820794840e-02 -4.820794840e-02 5.40 -4.638727316e-02 -4.638727316e-02 5.42 -4.461435907e-02 -4.461435907e-02 5.44 -4.288336520e-02 -4.288336520e-02 5.46 -4.118884232e-02 -4.118884232e-02 5.48 -3.952574947e-02 -3.952574947e-02 5.50 -3.788947760e-02 -3.788947760e-02 5.52 -3.627588300e-02 -3.627588300e-02 5.54 -3.468133239e-02 -3.468133239e-02 5.56 -3.310275959e-02 -3.310275959e-02 5.58 -3.153773299e-02 -3.153773299e-02 5.60 -2.998453076e-02 -2.998453076e-02 5.62 -2.844221879e-02 -2.844221879e-02 5.64 -2.691072476e-02 -2.691072476e-02 5.66 -2.539089995e-02 -2.539089995e-02 5.68 -2.388455887e-02 -2.388455887e-02 5.70 -2.239448666e-02 -2.239448666e-02 5.72 -2.092440469e-02 -2.092440469e-02 5.74 -1.947888683e-02 -1.947888683e-02 5.76 -1.806322012e-02 -1.806322012e-02 5.78 -1.668308169e-02 -1.668308169e-02 5.80 -1.534455502e-02 -1.534455502e-02 5.82 -1.405384781e-02 -1.405384781e-02 5.84 -1.281691031e-02 -1.281691031e-02 5.86 -1.163916290e-02 -1.163916290e-02 5.88 -1.052525267e-02 -1.052525267e-02 5.90 -9.478858007e-03 -9.478858007e-03 5.92 -8.502554695e-03 -8.502554695e-03 5.94 -7.597750544e-03 -7.597750544e-03 5.96 -6.764688213e-03 -6.764688213e-03 5.98 -6.002509441e-03 -6.002509441e-03 6.00 -5.309368919e-03 -5.309368919e-03