# 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 = Mg2TaZr # 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 4.760108615e+02 4.760108615e+02 1.30 4.423205541e+02 4.423205541e+02 1.32 4.110876532e+02 4.110876532e+02 1.34 3.821169953e+02 3.821169953e+02 1.36 3.552323980e+02 3.552323980e+02 1.38 3.302744484e+02 3.302744484e+02 1.40 3.070981388e+02 3.070981388e+02 1.42 2.855703778e+02 2.855703778e+02 1.44 2.655678021e+02 2.655678021e+02 1.46 2.469755485e+02 2.469755485e+02 1.48 2.296868003e+02 2.296868003e+02 1.50 2.136023587e+02 2.136023587e+02 1.52 1.986301182e+02 1.986301182e+02 1.54 1.846848746e+02 1.846848746e+02 1.56 1.716885965e+02 1.716885965e+02 1.58 1.595708378e+02 1.595708378e+02 1.60 1.482685860e+02 1.482685860e+02 1.62 1.377253506e+02 1.377253506e+02 1.64 1.278898600e+02 1.278898600e+02 1.66 1.187148977e+02 1.187148977e+02 1.68 1.101565193e+02 1.101565193e+02 1.70 1.021736806e+02 1.021736806e+02 1.72 9.472804493e+01 9.472804493e+01 1.74 8.778385724e+01 8.778385724e+01 1.76 8.130778538e+01 8.130778538e+01 1.78 7.526875511e+01 7.526875511e+01 1.80 6.963774029e+01 6.963774029e+01 1.82 6.438778551e+01 6.438778551e+01 1.84 5.949724229e+01 5.949724229e+01 1.86 5.494325169e+01 5.494325169e+01 1.88 5.070288901e+01 5.070288901e+01 1.90 4.675478553e+01 4.675478553e+01 1.92 4.307888449e+01 4.307888449e+01 1.94 3.965640364e+01 3.965640364e+01 1.96 3.646992630e+01 3.646992630e+01 1.98 3.350300610e+01 3.350300610e+01 2.00 3.074013523e+01 3.074013523e+01 2.02 2.816678745e+01 2.816678745e+01 2.04 2.576948611e+01 2.576948611e+01 2.06 2.353584250e+01 2.353584250e+01 2.08 2.145453326e+01 2.145453326e+01 2.10 1.951522256e+01 1.951522256e+01 2.12 1.770847360e+01 1.770847360e+01 2.14 1.602565139e+01 1.602565139e+01 2.16 1.445885071e+01 1.445885071e+01 2.18 1.300080956e+01 1.300080956e+01 2.20 1.164481646e+01 1.164481646e+01 2.22 1.038459668e+01 1.038459668e+01 2.24 9.214223282e+00 9.214223282e+00 2.26 8.128061937e+00 8.128061937e+00 2.28 7.120738137e+00 7.120738137e+00 2.30 6.187144843e+00 6.187144843e+00 2.32 5.322409702e+00 5.322409702e+00 2.34 4.521917572e+00 4.521917572e+00 2.36 3.781283252e+00 3.781283252e+00 2.38 3.096356464e+00 3.096356464e+00 2.40 2.463225513e+00 2.463225513e+00 2.42 1.878215473e+00 1.878215473e+00 2.44 1.337890391e+00 1.337890391e+00 2.46 8.390417617e-01 8.390417617e-01 2.48 3.786817639e-01 3.786817639e-01 2.50 -4.596145314e-02 -4.596145314e-02 2.52 -4.373543720e-01 -4.373543720e-01 2.54 -7.978704087e-01 -7.978704087e-01 2.56 -1.129760175e+00 -1.129760175e+00 2.58 -1.435054157e+00 -1.435054157e+00 2.60 -1.715637074e+00 -1.715637074e+00 2.62 -1.973112199e+00 -1.973112199e+00 2.64 -2.208939463e+00 -2.208939463e+00 2.66 -2.424473838e+00 -2.424473838e+00 2.68 -2.620927683e+00 -2.620927683e+00 2.70 -2.799318641e+00 -2.799318641e+00 2.72 -2.960631468e+00 -2.960631468e+00 2.74 -3.105826664e+00 -3.105826664e+00 2.76 -3.235735452e+00 -3.235735452e+00 2.78 -3.351079952e+00 -3.351079952e+00 2.80 -3.452578984e+00 -3.452578984e+00 2.82 -3.540930975e+00 -3.540930975e+00 2.84 -3.616816928e+00 -3.616816928e+00 2.86 -3.680895954e+00 -3.680895954e+00 2.88 -3.733805692e+00 -3.733805692e+00 2.90 -3.776163941e+00 -3.776163941e+00 2.92 -3.808570345e+00 -3.808570345e+00 2.94 -3.831607343e+00 -3.831607343e+00 2.96 -3.845839996e+00 -3.845839996e+00 2.98 -3.851814714e+00 -3.851814714e+00 3.00 -3.850057270e+00 -3.850057270e+00 3.02 -3.841070685e+00 -3.841070685e+00 3.04 -3.825330348e+00 -3.825330348e+00 3.06 -3.803297835e+00 -3.803297835e+00 3.08 -3.775399609e+00 -3.775399609e+00 3.10 -3.742046279e+00 -3.742046279e+00 3.12 -3.703630519e+00 -3.703630519e+00 3.14 -3.660542548e+00 -3.660542548e+00 3.16 -3.613160306e+00 -3.613160306e+00 3.18 -3.561866503e+00 -3.561866503e+00 3.20 -3.507050718e+00 -3.507050718e+00 3.22 -3.449113941e+00 -3.449113941e+00 3.24 -3.388472240e+00 -3.388472240e+00 3.26 -3.325558809e+00 -3.325558809e+00 3.28 -3.260823144e+00 -3.260823144e+00 3.30 -3.194725959e+00 -3.194725959e+00 3.32 -3.127729193e+00 -3.127729193e+00 3.34 -3.060281757e+00 -3.060281757e+00 3.36 -2.992803131e+00 -2.992803131e+00 3.38 -2.925667694e+00 -2.925667694e+00 3.40 -2.859191353e+00 -2.859191353e+00 3.42 -2.793629360e+00 -2.793629360e+00 3.44 -2.729166995e+00 -2.729166995e+00 3.46 -2.665928316e+00 -2.665928316e+00 3.48 -2.603981376e+00 -2.603981376e+00 3.50 -2.543346946e+00 -2.543346946e+00 3.52 -2.484008040e+00 -2.484008040e+00 3.54 -2.425919334e+00 -2.425919334e+00 3.56 -2.369015922e+00 -2.369015922e+00 3.58 -2.313221092e+00 -2.313221092e+00 3.60 -2.258453019e+00 -2.258453019e+00 3.62 -2.204630414e+00 -2.204630414e+00 3.64 -2.151677223e+00 -2.151677223e+00 3.66 -2.099529022e+00 -2.099529022e+00 3.68 -2.048172429e+00 -2.048172429e+00 3.70 -1.997541972e+00 -1.997541972e+00 3.72 -1.947568521e+00 -1.947568521e+00 3.74 -1.898208478e+00 -1.898208478e+00 3.76 -1.849444916e+00 -1.849444916e+00 3.78 -1.801287987e+00 -1.801287987e+00 3.80 -1.753773697e+00 -1.753773697e+00 3.82 -1.706915130e+00 -1.706915130e+00 3.84 -1.660667143e+00 -1.660667143e+00 3.86 -1.615020010e+00 -1.615020010e+00 3.88 -1.570003861e+00 -1.570003861e+00 3.90 -1.525679422e+00 -1.525679422e+00 3.92 -1.482125304e+00 -1.482125304e+00 3.94 -1.439435572e+00 -1.439435572e+00 3.96 -1.397696268e+00 -1.397696268e+00 3.98 -1.356986835e+00 -1.356986835e+00 4.00 -1.317371976e+00 -1.317371976e+00 4.02 -1.278898624e+00 -1.278898624e+00 4.04 -1.241595167e+00 -1.241595167e+00 4.06 -1.205472417e+00 -1.205472417e+00 4.08 -1.170525690e+00 -1.170525690e+00 4.10 -1.136733508e+00 -1.136733508e+00 4.12 -1.104077023e+00 -1.104077023e+00 4.14 -1.072516603e+00 -1.072516603e+00 4.16 -1.042012558e+00 -1.042012558e+00 4.18 -1.012522306e+00 -1.012522306e+00 4.20 -9.840020070e-01 -9.840020070e-01 4.22 -9.564078206e-01 -9.564078206e-01 4.24 -9.296968372e-01 -9.296968372e-01 4.26 -9.038277301e-01 -9.038277301e-01 4.28 -8.787611804e-01 -8.787611804e-01 4.30 -8.544601226e-01 -8.544601226e-01 4.32 -8.308898510e-01 -8.308898510e-01 4.34 -8.080180246e-01 -8.080180246e-01 4.36 -7.858145993e-01 -7.858145993e-01 4.38 -7.642517090e-01 -7.642517090e-01 4.40 -7.433035160e-01 -7.433035160e-01 4.42 -7.229460437e-01 -7.229460437e-01 4.44 -7.031570020e-01 -7.031570020e-01 4.46 -6.839156124e-01 -6.839156124e-01 4.48 -6.652024406e-01 -6.652024406e-01 4.50 -6.469992379e-01 -6.469992379e-01 4.52 -6.292887967e-01 -6.292887967e-01 4.54 -6.120548211e-01 -6.120548211e-01 4.56 -5.952818134e-01 -5.952818134e-01 4.58 -5.789549794e-01 -5.789549794e-01 4.60 -5.630601505e-01 -5.630601505e-01 4.62 -5.475837242e-01 -5.475837242e-01 4.64 -5.325126213e-01 -5.325126213e-01 4.66 -5.178342576e-01 -5.178342576e-01 4.68 -5.035365294e-01 -5.035365294e-01 4.70 -4.896078078e-01 -4.896078078e-01 4.72 -4.760369395e-01 -4.760369395e-01 4.74 -4.628132500e-01 -4.628132500e-01 4.76 -4.499265444e-01 -4.499265444e-01 4.78 -4.373671036e-01 -4.373671036e-01 4.80 -4.251221972e-01 -4.251221972e-01 4.82 -4.131905527e-01 -4.131905527e-01 4.84 -4.015595960e-01 -4.015595960e-01 4.86 -3.902213088e-01 -3.902213088e-01 4.88 -3.791679867e-01 -3.791679867e-01 4.90 -3.683921849e-01 -3.683921849e-01 4.92 -3.578866593e-01 -3.578866593e-01 4.94 -3.476443087e-01 -3.476443087e-01 4.96 -3.376581196e-01 -3.376581196e-01 4.98 -3.279211153e-01 -3.279211153e-01 5.00 -3.184263131e-01 -3.184263131e-01 5.02 -3.091666897e-01 -3.091666897e-01 5.04 -3.001351561e-01 -3.001351561e-01 5.06 -2.913245441e-01 -2.913245441e-01 5.08 -2.827276036e-01 -2.827276036e-01 5.10 -2.743370122e-01 -2.743370122e-01 5.12 -2.661453993e-01 -2.661453993e-01 5.14 -2.581453831e-01 -2.581453831e-01 5.16 -2.503296248e-01 -2.503296248e-01 5.18 -2.426908991e-01 -2.426908991e-01 5.20 -2.352221830e-01 -2.352221830e-01 5.22 -2.279167631e-01 -2.279167631e-01 5.24 -2.207683618e-01 -2.207683618e-01 5.26 -2.137712784e-01 -2.137712784e-01 5.28 -2.069205436e-01 -2.069205436e-01 5.30 -2.002120777e-01 -2.002120777e-01 5.32 -1.936428456e-01 -1.936428456e-01 5.34 -1.872109924e-01 -1.872109924e-01 5.36 -1.809159465e-01 -1.809159465e-01 5.38 -1.747584713e-01 -1.747584713e-01 5.40 -1.687406497e-01 -1.687406497e-01 5.42 -1.628657871e-01 -1.628657871e-01 5.44 -1.571382259e-01 -1.571382259e-01 5.46 -1.515630714e-01 -1.515630714e-01 5.48 -1.461458427e-01 -1.461458427e-01 5.50 -1.408920684e-01 -1.408920684e-01 5.52 -1.358068616e-01 -1.358068616e-01 5.54 -1.308945067e-01 -1.308945067e-01 5.56 -1.261580966e-01 -1.261580966e-01 5.58 -1.215992538e-01 -1.215992538e-01 5.60 -1.172179518e-01 -1.172179518e-01 5.62 -1.130124486e-01 -1.130124486e-01 5.64 -1.089793254e-01 -1.089793254e-01 5.66 -1.051136186e-01 -1.051136186e-01 5.68 -1.014090199e-01 -1.014090199e-01 5.70 -9.785811782e-02 -9.785811782e-02 5.72 -9.445265903e-02 -9.445265903e-02 5.74 -9.118380581e-02 -9.118380581e-02 5.76 -8.804235630e-02 -8.804235630e-02 5.78 -8.501897925e-02 -8.501897925e-02 5.80 -8.210438579e-02 -8.210438579e-02 5.82 -7.928945089e-02 -7.928945089e-02 5.84 -7.656531300e-02 -7.656531300e-02 5.86 -7.392341619e-02 -7.392341619e-02 5.88 -7.135559110e-02 -7.135559110e-02 5.90 -6.885411817e-02 -6.885411817e-02 5.92 -6.641170092e-02 -6.641170092e-02 5.94 -6.402148024e-02 -6.402148024e-02 5.96 -6.167704807e-02 -6.167704807e-02 5.98 -5.937246447e-02 -5.937246447e-02 6.00 -5.710228142e-02 -5.710228142e-02