# 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 = Co2FeMo # 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 1.828905747e+02 1.828905747e+02 1.30 1.675033881e+02 1.675033881e+02 1.32 1.533762707e+02 1.533762707e+02 1.34 1.403958089e+02 1.403958089e+02 1.36 1.284590274e+02 1.284590274e+02 1.38 1.174738124e+02 1.174738124e+02 1.40 1.073587063e+02 1.073587063e+02 1.42 9.804186724e+01 9.804186724e+01 1.44 8.945930599e+01 8.945930599e+01 1.46 8.155320425e+01 8.155320425e+01 1.48 7.427100492e+01 7.427100492e+01 1.50 6.756502524e+01 6.756502524e+01 1.52 6.139193873e+01 6.139193873e+01 1.54 5.571204512e+01 5.571204512e+01 1.56 5.048866699e+01 5.048866699e+01 1.58 4.568776180e+01 4.568776180e+01 1.60 4.127758742e+01 4.127758742e+01 1.62 3.722833562e+01 3.722833562e+01 1.64 3.351179508e+01 3.351179508e+01 1.66 3.010180374e+01 3.010180374e+01 1.68 2.697547586e+01 2.697547586e+01 1.70 2.410916828e+01 2.410916828e+01 1.72 2.148231494e+01 2.148231494e+01 1.74 1.907467261e+01 1.907467261e+01 1.76 1.686729893e+01 1.686729893e+01 1.78 1.484292574e+01 1.484292574e+01 1.80 1.298602489e+01 1.298602489e+01 1.82 1.128283285e+01 1.128283285e+01 1.84 9.721257324e+00 9.721257324e+00 1.86 8.290667159e+00 8.290667159e+00 1.88 6.981607160e+00 6.981607160e+00 1.90 5.785485123e+00 5.785485123e+00 1.92 4.694285262e+00 4.694285262e+00 1.94 3.700363635e+00 3.700363635e+00 1.96 2.796355048e+00 2.796355048e+00 1.98 1.975176812e+00 1.975176812e+00 2.00 1.230085310e+00 1.230085310e+00 2.02 5.547367662e-01 5.547367662e-01 2.04 -5.678489169e-02 -5.678489169e-02 2.06 -6.099840326e-01 -6.099840326e-01 2.08 -1.109993976e+00 -1.109993976e+00 2.10 -1.561611892e+00 -1.561611892e+00 2.12 -1.969308789e+00 -1.969308789e+00 2.14 -2.337213209e+00 -2.337213209e+00 2.16 -2.669079763e+00 -2.669079763e+00 2.18 -2.968259488e+00 -2.968259488e+00 2.20 -3.237688760e+00 -3.237688760e+00 2.22 -3.479906814e+00 -3.479906814e+00 2.24 -3.697100585e+00 -3.697100585e+00 2.26 -3.891165862e+00 -3.891165862e+00 2.28 -4.063770581e+00 -4.063770581e+00 2.30 -4.216380853e+00 -4.216380853e+00 2.32 -4.350201208e+00 -4.350201208e+00 2.34 -4.466665556e+00 -4.466665556e+00 2.36 -4.567125557e+00 -4.567125557e+00 2.38 -4.652797682e+00 -4.652797682e+00 2.40 -4.724783860e+00 -4.724783860e+00 2.42 -4.784088742e+00 -4.784088742e+00 2.44 -4.831622328e+00 -4.831622328e+00 2.46 -4.868025795e+00 -4.868025795e+00 2.48 -4.893789113e+00 -4.893789113e+00 2.50 -4.909487880e+00 -4.909487880e+00 2.52 -4.915719898e+00 -4.915719898e+00 2.54 -4.912982593e+00 -4.912982593e+00 2.56 -4.901828246e+00 -4.901828246e+00 2.58 -4.882859068e+00 -4.882859068e+00 2.60 -4.856709000e+00 -4.856709000e+00 2.62 -4.824015020e+00 -4.824015020e+00 2.64 -4.785386776e+00 -4.785386776e+00 2.66 -4.741341027e+00 -4.741341027e+00 2.68 -4.692212628e+00 -4.692212628e+00 2.70 -4.638267381e+00 -4.638267381e+00 2.72 -4.579754930e+00 -4.579754930e+00 2.74 -4.516924786e+00 -4.516924786e+00 2.76 -4.450041383e+00 -4.450041383e+00 2.78 -4.379315142e+00 -4.379315142e+00 2.80 -4.304821403e+00 -4.304821403e+00 2.82 -4.226672730e+00 -4.226672730e+00 2.84 -4.145036782e+00 -4.145036782e+00 2.86 -4.060126712e+00 -4.060126712e+00 2.88 -3.972192318e+00 -3.972192318e+00 2.90 -3.881512815e+00 -3.881512815e+00 2.92 -3.788391790e+00 -3.788391790e+00 2.94 -3.693154256e+00 -3.693154256e+00 2.96 -3.596144895e+00 -3.596144895e+00 2.98 -3.497725894e+00 -3.497725894e+00 3.00 -3.398272359e+00 -3.398272359e+00 3.02 -3.298163683e+00 -3.298163683e+00 3.04 -3.197770268e+00 -3.197770268e+00 3.06 -3.097436775e+00 -3.097436775e+00 3.08 -2.997464832e+00 -2.997464832e+00 3.10 -2.898099099e+00 -2.898099099e+00 3.12 -2.799520184e+00 -2.799520184e+00 3.14 -2.701846123e+00 -2.701846123e+00 3.16 -2.605141828e+00 -2.605141828e+00 3.18 -2.509434160e+00 -2.509434160e+00 3.20 -2.414729503e+00 -2.414729503e+00 3.22 -2.321031027e+00 -2.321031027e+00 3.24 -2.228353577e+00 -2.228353577e+00 3.26 -2.136735069e+00 -2.136735069e+00 3.28 -2.046243982e+00 -2.046243982e+00 3.30 -1.956983060e+00 -1.956983060e+00 3.32 -1.869089618e+00 -1.869089618e+00 3.34 -1.782733002e+00 -1.782733002e+00 3.36 -1.698109722e+00 -1.698109722e+00 3.38 -1.615436761e+00 -1.615436761e+00 3.40 -1.534943463e+00 -1.534943463e+00 3.42 -1.456862389e+00 -1.456862389e+00 3.44 -1.381419542e+00 -1.381419542e+00 3.46 -1.308824469e+00 -1.308824469e+00 3.48 -1.239260850e+00 -1.239260850e+00 3.50 -1.172878251e+00 -1.172878251e+00 3.52 -1.109785706e+00 -1.109785706e+00 3.54 -1.050047651e+00 -1.050047651e+00 3.56 -9.936824949e-01 -9.936824949e-01 3.58 -9.406638250e-01 -9.406638250e-01 3.60 -8.909239619e-01 -8.909239619e-01 3.62 -8.443593468e-01 -8.443593468e-01 3.64 -8.008371271e-01 -8.008371271e-01 3.66 -7.602022822e-01 -7.602022822e-01 3.68 -7.222846955e-01 -7.222846955e-01 3.70 -6.869057036e-01 -6.869057036e-01 3.72 -6.538838060e-01 -6.538838060e-01 3.74 -6.230393641e-01 -6.230393641e-01 3.76 -5.941982472e-01 -5.941982472e-01 3.78 -5.671944743e-01 -5.671944743e-01 3.80 -5.418719657e-01 -5.418719657e-01 3.82 -5.180855450e-01 -5.180855450e-01 3.84 -4.957013440e-01 -4.957013440e-01 3.86 -4.745967537e-01 -4.745967537e-01 3.88 -4.546600473e-01 -4.546600473e-01 3.90 -4.357897833e-01 -4.357897833e-01 3.92 -4.178940731e-01 -4.178940731e-01 3.94 -4.008897834e-01 -4.008897834e-01 3.96 -3.847017232e-01 -3.847017232e-01 3.98 -3.692618591e-01 -3.692618591e-01 4.00 -3.545085874e-01 -3.545085874e-01 4.02 -3.403860904e-01 -3.403860904e-01 4.04 -3.268437941e-01 -3.268437941e-01 4.06 -3.138359461e-01 -3.138359461e-01 4.08 -3.013213208e-01 -3.013213208e-01 4.10 -2.892630610e-01 -2.892630610e-01 4.12 -2.776286496e-01 -2.776286496e-01 4.14 -2.663899937e-01 -2.663899937e-01 4.16 -2.555235890e-01 -2.555235890e-01 4.18 -2.450107069e-01 -2.450107069e-01 4.20 -2.348375282e-01 -2.348375282e-01 4.22 -2.249951300e-01 -2.249951300e-01 4.24 -2.154792310e-01 -2.154792310e-01 4.26 -2.062896199e-01 -2.062896199e-01 4.28 -1.974292298e-01 -1.974292298e-01 4.30 -1.889028977e-01 -1.889028977e-01 4.32 -1.807159087e-01 -1.807159087e-01 4.34 -1.728724944e-01 -1.728724944e-01 4.36 -1.653744368e-01 -1.653744368e-01 4.38 -1.582198085e-01 -1.582198085e-01 4.40 -1.514031309e-01 -1.514031309e-01 4.42 -1.449147921e-01 -1.449147921e-01 4.44 -1.387412321e-01 -1.387412321e-01 4.46 -1.328655802e-01 -1.328655802e-01 4.48 -1.272684643e-01 -1.272684643e-01 4.50 -1.219288583e-01 -1.219288583e-01 4.52 -1.168248648e-01 -1.168248648e-01 4.54 -1.119343729e-01 -1.119343729e-01 4.56 -1.072355635e-01 -1.072355635e-01 4.58 -1.027072690e-01 -1.027072690e-01 4.60 -9.832921008e-02 -9.832921008e-02 4.62 -9.408214283e-02 -9.408214283e-02 4.64 -8.994795287e-02 -8.994795287e-02 4.66 -8.590973036e-02 -8.590973036e-02 4.68 -8.195185597e-02 -8.195185597e-02 4.70 -7.806012185e-02 -7.806012185e-02 4.72 -7.422190490e-02 -7.422190490e-02 4.74 -7.042640200e-02 -7.042640200e-02 4.76 -6.666492766e-02 -6.666492766e-02 4.78 -6.293126383e-02 -6.293126383e-02 4.80 -5.922203872e-02 -5.922203872e-02 4.82 -5.553709881e-02 -5.553709881e-02 4.84 -5.187982262e-02 -5.187982262e-02 4.86 -4.825731746e-02 -4.825731746e-02 4.88 -4.468043580e-02 -4.468043580e-02 4.90 -4.116355270e-02 -4.116355270e-02 4.92 -3.772406264e-02 -3.772406264e-02 4.94 -3.438159218e-02 -3.438159218e-02 4.96 -3.115696247e-02 -3.115696247e-02 4.98 -2.807097064e-02 -2.807097064e-02 5.00 -2.514311627e-02 -2.514311627e-02 5.02 -2.239040235e-02 -2.239040235e-02 5.04 -1.982633190e-02 -1.982633190e-02 5.06 -1.746020580e-02 -1.746020580e-02 5.08 -1.529644600e-02 -1.529644600e-02 5.10 -1.333505776e-02 -1.333505776e-02 5.12 -1.157248497e-02 -1.157248497e-02 5.14 -1.000140232e-02 -1.000140232e-02 5.16 -8.611484663e-03 -8.611484663e-03 5.18 -7.390238815e-03 -7.390238815e-03 5.20 -6.323807163e-03 -6.323807163e-03 5.22 -5.397685097e-03 -5.397685097e-03 5.24 -4.597318636e-03 -4.597318636e-03 5.26 -3.908569575e-03 -3.908569575e-03 5.28 -3.318051415e-03 -3.318051415e-03 5.30 -2.813349676e-03 -2.813349676e-03 5.32 -2.383145543e-03 -2.383145543e-03 5.34 -2.017263410e-03 -2.017263410e-03 5.36 -1.706661916e-03 -1.706661916e-03 5.38 -1.443385641e-03 -1.443385641e-03 5.40 -1.220491620e-03 -1.220491620e-03 5.42 -1.031961723e-03 -1.031961723e-03 5.44 -8.726091111e-04 -8.726091111e-04 5.46 -7.379845840e-04 -7.379845840e-04 5.48 -6.242866875e-04 -6.242866875e-04 5.50 -5.282779638e-04 -5.282779638e-04 5.52 -4.472086288e-04 -4.472086288e-04 5.54 -3.787481817e-04 -3.787481817e-04 5.56 -3.209249233e-04 -3.209249233e-04 5.58 -2.720730244e-04 -2.720730244e-04 5.60 -2.307865894e-04 -2.307865894e-04 5.62 -1.958800578e-04 -1.958800578e-04 5.64 -1.663542569e-04 -1.663542569e-04 5.66 -1.413674276e-04 -1.413674276e-04 5.68 -1.202105846e-04 -1.202105846e-04 5.70 -1.022866237e-04 -1.022866237e-04 5.72 -8.709264757e-05 -8.709264757e-05 5.74 -7.420504365e-05 -7.420504365e-05 5.76 -6.326690299e-05 -6.326690299e-05 5.78 -5.397742604e-05 -5.397742604e-05 5.80 -4.608300901e-05 -4.608300901e-05 5.82 -3.936974917e-05 -3.936974917e-05 5.84 -3.365714586e-05 -3.365714586e-05 5.86 -2.879280795e-05 -2.879280795e-05 5.88 -2.464800745e-05 -2.464800745e-05 5.90 -2.111394401e-05 -2.111394401e-05 5.92 -1.809860629e-05 -1.809860629e-05 5.94 -1.552413437e-05 -1.552413437e-05 5.96 -1.332460253e-05 -1.332460253e-05 5.98 -1.144415486e-05 -1.144415486e-05 6.00 -9.835436925e-06 -9.835436925e-06