# 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 = Fe2NiW # 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 2.214262884e+02 2.214262884e+02 1.30 2.022308670e+02 2.022308670e+02 1.32 1.846465638e+02 1.846465638e+02 1.34 1.685242439e+02 1.685242439e+02 1.36 1.537299237e+02 1.537299237e+02 1.38 1.401443648e+02 1.401443648e+02 1.40 1.276620992e+02 1.276620992e+02 1.42 1.161904683e+02 1.161904683e+02 1.44 1.056484548e+02 1.056484548e+02 1.46 9.596486897e+01 9.596486897e+01 1.48 8.707605153e+01 8.707605153e+01 1.50 7.892371636e+01 7.892371636e+01 1.52 7.145347139e+01 7.145347139e+01 1.54 6.461409634e+01 6.461409634e+01 1.56 5.835725340e+01 5.835725340e+01 1.58 5.263733257e+01 5.263733257e+01 1.60 4.741138678e+01 4.741138678e+01 1.62 4.263916817e+01 4.263916817e+01 1.64 3.828315379e+01 3.828315379e+01 1.66 3.430842568e+01 3.430842568e+01 1.68 3.068241619e+01 3.068241619e+01 1.70 2.737524812e+01 2.737524812e+01 1.72 2.435859471e+01 2.435859471e+01 1.74 2.160552889e+01 2.160552889e+01 1.76 1.909088705e+01 1.909088705e+01 1.78 1.679167093e+01 1.679167093e+01 1.80 1.468739948e+01 1.468739948e+01 1.82 1.276006218e+01 1.276006218e+01 1.84 1.099411282e+01 1.099411282e+01 1.86 9.376303235e+00 9.376303235e+00 1.88 7.895361524e+00 7.895361524e+00 1.90 6.541560004e+00 6.541560004e+00 1.92 5.306249073e+00 5.306249073e+00 1.94 4.181439275e+00 4.181439275e+00 1.96 3.159493355e+00 3.159493355e+00 1.98 2.232952693e+00 2.232952693e+00 2.00 1.394484801e+00 1.394484801e+00 2.02 6.369154565e-01 6.369154565e-01 2.04 -4.669596266e-02 -4.669596266e-02 2.06 -6.629727264e-01 -6.629727264e-01 2.08 -1.218151163e+00 -1.218151163e+00 2.10 -1.718033268e+00 -1.718033268e+00 2.12 -2.167957582e+00 -2.167957582e+00 2.14 -2.572780587e+00 -2.572780587e+00 2.16 -2.936865705e+00 -2.936865705e+00 2.18 -3.264084524e+00 -3.264084524e+00 2.20 -3.557820137e+00 -3.557820137e+00 2.22 -3.820912056e+00 -3.820912056e+00 2.24 -4.056144868e+00 -4.056144868e+00 2.26 -4.266009470e+00 -4.266009470e+00 2.28 -4.452688234e+00 -4.452688234e+00 2.30 -4.618128041e+00 -4.618128041e+00 2.32 -4.764067860e+00 -4.764067860e+00 2.34 -4.891739894e+00 -4.891739894e+00 2.36 -5.002147114e+00 -5.002147114e+00 2.38 -5.096352884e+00 -5.096352884e+00 2.40 -5.175414864e+00 -5.175414864e+00 2.42 -5.240339802e+00 -5.240339802e+00 2.44 -5.292066618e+00 -5.292066618e+00 2.46 -5.331470029e+00 -5.331470029e+00 2.48 -5.359373830e+00 -5.359373830e+00 2.50 -5.376564655e+00 -5.376564655e+00 2.52 -5.383801568e+00 -5.383801568e+00 2.54 -5.381818029e+00 -5.381818029e+00 2.56 -5.371320720e+00 -5.371320720e+00 2.58 -5.352988352e+00 -5.352988352e+00 2.60 -5.327465946e+00 -5.327465946e+00 2.62 -5.295360091e+00 -5.295360091e+00 2.64 -5.257236380e+00 -5.257236380e+00 2.66 -5.213582736e+00 -5.213582736e+00 2.68 -5.164655928e+00 -5.164655928e+00 2.70 -5.110648790e+00 -5.110648790e+00 2.72 -5.051773102e+00 -5.051773102e+00 2.74 -4.988238113e+00 -4.988238113e+00 2.76 -4.920252952e+00 -4.920252952e+00 2.78 -4.848032037e+00 -4.848032037e+00 2.80 -4.771789530e+00 -4.771789530e+00 2.82 -4.691735214e+00 -4.691735214e+00 2.84 -4.608073473e+00 -4.608073473e+00 2.86 -4.520975653e+00 -4.520975653e+00 2.88 -4.430357187e+00 -4.430357187e+00 2.90 -4.336081288e+00 -4.336081288e+00 2.92 -4.238127197e+00 -4.238127197e+00 2.94 -4.136584970e+00 -4.136584970e+00 2.96 -4.031644117e+00 -4.031644117e+00 2.98 -3.923577749e+00 -3.923577749e+00 3.00 -3.812722879e+00 -3.812722879e+00 3.02 -3.699458153e+00 -3.699458153e+00 3.04 -3.584180844e+00 -3.584180844e+00 3.06 -3.467285327e+00 -3.467285327e+00 3.08 -3.349145313e+00 -3.349145313e+00 3.10 -3.230101780e+00 -3.230101780e+00 3.12 -3.110457744e+00 -3.110457744e+00 3.14 -2.990479950e+00 -2.990479950e+00 3.16 -2.870406479e+00 -2.870406479e+00 3.18 -2.750458353e+00 -2.750458353e+00 3.20 -2.630852697e+00 -2.630852697e+00 3.22 -2.511814988e+00 -2.511814988e+00 3.24 -2.393588292e+00 -2.393588292e+00 3.26 -2.276438155e+00 -2.276438155e+00 3.28 -2.160652765e+00 -2.160652765e+00 3.30 -2.046538951e+00 -2.046538951e+00 3.32 -1.934415302e+00 -1.934415302e+00 3.34 -1.824604089e+00 -1.824604089e+00 3.36 -1.717423555e+00 -1.717423555e+00 3.38 -1.613181663e+00 -1.613181663e+00 3.40 -1.512171640e+00 -1.512171640e+00 3.42 -1.414668947e+00 -1.414668947e+00 3.44 -1.320928793e+00 -1.320928793e+00 3.46 -1.231183194e+00 -1.231183194e+00 3.48 -1.145636836e+00 -1.145636836e+00 3.50 -1.064461563e+00 -1.064461563e+00 3.52 -9.877898786e-01 -9.877898786e-01 3.54 -9.157083773e-01 -9.157083773e-01 3.56 -8.482522370e-01 -8.482522370e-01 3.58 -7.854018240e-01 -7.854018240e-01 3.60 -7.270821532e-01 -7.270821532e-01 3.62 -6.731654751e-01 -6.731654751e-01 3.64 -6.234767956e-01 -6.234767956e-01 3.66 -5.778017611e-01 -5.778017611e-01 3.68 -5.358961168e-01 -5.358961168e-01 3.70 -4.974958853e-01 -4.974958853e-01 3.72 -4.623274785e-01 -4.623274785e-01 3.74 -4.301170764e-01 -4.301170764e-01 3.76 -4.005985698e-01 -4.005985698e-01 3.78 -3.735208899e-01 -3.735208899e-01 3.80 -3.486525070e-01 -3.486525070e-01 3.82 -3.257843520e-01 -3.257843520e-01 3.84 -3.047310967e-01 -3.047310967e-01 3.86 -2.853306682e-01 -2.853306682e-01 3.88 -2.674422513e-01 -2.674422513e-01 3.90 -2.509431616e-01 -2.509431616e-01 3.92 -2.357250816e-01 -2.357250816e-01 3.94 -2.216902018e-01 -2.216902018e-01 3.96 -2.087477622e-01 -2.087477622e-01 3.98 -1.968113643e-01 -1.968113643e-01 4.00 -1.857972302e-01 -1.857972302e-01 4.02 -1.756233917e-01 -1.756233917e-01 4.04 -1.662096456e-01 -1.662096456e-01 4.06 -1.574780175e-01 -1.574780175e-01 4.08 -1.493532198e-01 -1.493532198e-01 4.10 -1.417640009e-01 -1.417640009e-01 4.12 -1.346435896e-01 -1.346435896e-01 4.14 -1.279298658e-01 -1.279298658e-01 4.16 -1.215656943e-01 -1.215656943e-01 4.18 -1.154990710e-01 -1.154990710e-01 4.20 -1.096831440e-01 -1.096831440e-01 4.22 -1.040761787e-01 -1.040761787e-01 4.24 -9.864152420e-02 -9.864152420e-02 4.26 -9.334762872e-02 -9.334762872e-02 4.28 -8.816813009e-02 -8.816813009e-02 4.30 -8.308202707e-02 -8.308202707e-02 4.32 -7.807391455e-02 -7.807391455e-02 4.34 -7.313424154e-02 -7.313424154e-02 4.36 -6.825952866e-02 -6.825952866e-02 4.38 -6.345246414e-02 -6.345246414e-02 4.40 -5.872178913e-02 -5.872178913e-02 4.42 -5.408188859e-02 -5.408188859e-02 4.44 -4.955202819e-02 -4.955202819e-02 4.46 -4.515521923e-02 -4.515521923e-02 4.48 -4.091675008e-02 -4.091675008e-02 4.50 -3.686248301e-02 -3.686248301e-02 4.52 -3.301706651e-02 -3.301706651e-02 4.54 -2.940224334e-02 -2.940224334e-02 4.56 -2.603542179e-02 -2.603542179e-02 4.58 -2.292866346e-02 -2.292866346e-02 4.60 -2.008815877e-02 -2.008815877e-02 4.62 -1.751419755e-02 -1.751419755e-02 4.64 -1.520123153e-02 -1.520123153e-02 4.66 -1.313888624e-02 -1.313888624e-02 4.68 -1.131401120e-02 -1.131401120e-02 4.70 -9.710470485e-03 -9.710470485e-03 4.72 -8.310203711e-03 -8.310203711e-03 4.74 -7.094216384e-03 -7.094216384e-03 4.76 -6.043400982e-03 -6.043400982e-03 4.78 -5.139172870e-03 -5.139172870e-03 4.80 -4.363927318e-03 -4.363927318e-03 4.82 -3.701337844e-03 -3.701337844e-03 4.84 -3.136522716e-03 -3.136522716e-03 4.86 -2.656108681e-03 -2.656108681e-03 4.88 -2.248218708e-03 -2.248218708e-03 4.90 -1.902407302e-03 -1.902407302e-03 4.92 -1.609562493e-03 -1.609562493e-03 4.94 -1.361789346e-03 -1.361789346e-03 4.96 -1.152285905e-03 -1.152285905e-03 4.98 -9.752192720e-04 -9.752192720e-04 5.00 -8.256068862e-04 -8.256068862e-04 5.02 -6.992061003e-04 -6.992061003e-04 5.04 -5.924136960e-04 -5.924136960e-04 5.06 -5.021759537e-04 -5.021759537e-04 5.08 -4.259092091e-04 -4.259092091e-04 5.10 -3.614303914e-04 -3.614303914e-04 5.12 -3.068967869e-04 -3.068967869e-04 5.14 -2.607541486e-04 -2.607541486e-04 5.16 -2.216922343e-04 -2.216922343e-04 5.18 -1.886068752e-04 -1.886068752e-04 5.20 -1.605677297e-04 -1.605677297e-04 5.22 -1.367909472e-04 -1.367909472e-04 5.24 -1.166160486e-04 -1.166160486e-04 5.26 -9.948640734e-05 -9.948640734e-05 5.28 -8.493279395e-05 -8.493279395e-05 5.30 -7.255951878e-05 -7.255951878e-05 5.32 -6.203277197e-05 -6.203277197e-05 5.34 -5.307081802e-05 -5.307081802e-05 5.36 -4.543575326e-05 -4.543575326e-05 5.38 -3.892657870e-05 -3.892657870e-05 5.40 -3.337337850e-05 -3.337337850e-05 5.42 -2.863242786e-05 -2.863242786e-05 5.44 -2.458208089e-05 -2.458208089e-05 5.46 -2.111931365e-05 -2.111931365e-05 5.48 -1.815681688e-05 -1.815681688e-05 5.50 -1.562055012e-05 -1.562055012e-05 5.52 -1.344768323e-05 -1.344768323e-05 5.54 -1.158486300e-05 -1.158486300e-05 5.56 -9.986752914e-06 -9.986752914e-06 5.58 -8.614802157e-06 -8.614802157e-06 5.60 -7.436207513e-06 -7.436207513e-06 5.62 -6.423037240e-06 -6.423037240e-06 5.64 -5.551491282e-06 -5.551491282e-06 5.66 -4.801276185e-06 -4.801276185e-06 5.68 -4.155076592e-06 -4.155076592e-06 5.70 -3.598108121e-06 -3.598108121e-06 5.72 -3.117738825e-06 -3.117738825e-06 5.74 -2.703168523e-06 -2.703168523e-06 5.76 -2.345156953e-06 -2.345156953e-06 5.78 -2.035793176e-06 -2.035793176e-06 5.80 -1.768299830e-06 -1.768299830e-06 5.82 -1.536866865e-06 -1.536866865e-06 5.84 -1.336510209e-06 -1.336510209e-06 5.86 -1.162951560e-06 -1.162951560e-06 5.88 -1.012516072e-06 -1.012516072e-06 5.90 -8.820452122e-07 -8.820452122e-07 5.92 -7.688224917e-07 -7.688224917e-07 5.94 -6.705101239e-07 -6.705101239e-07 5.96 -5.850949706e-07 -5.850949706e-07 5.98 -5.108423816e-07 -5.108423816e-07 6.00 -4.462567491e-07 -4.462567491e-07