# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = ClId2Na # 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 2022-05-24 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 nan nan 1.30 5.640157718e+03 5.640157718e+03 1.32 4.916234789e+03 4.916234789e+03 1.34 4.297795622e+03 4.297795622e+03 1.36 3.767632191e+03 3.767632191e+03 1.38 3.312020307e+03 3.312020307e+03 1.40 2.919353020e+03 2.919353020e+03 1.42 2.580075252e+03 2.580075252e+03 1.44 2.286199292e+03 2.286199292e+03 1.46 2.031024480e+03 2.031024480e+03 1.48 1.808910321e+03 1.808910321e+03 1.50 1.615011931e+03 1.615011931e+03 1.52 1.445343631e+03 1.445343631e+03 1.54 1.296619114e+03 1.296619114e+03 1.56 1.165851035e+03 1.165851035e+03 1.58 1.050611286e+03 1.050611286e+03 1.60 9.488635780e+02 9.488635780e+02 1.62 8.588353154e+02 8.588353154e+02 1.64 7.789541421e+02 7.789541421e+02 1.66 7.079284873e+02 7.079284873e+02 1.68 6.446868305e+02 6.446868305e+02 1.70 5.882104268e+02 5.882104268e+02 1.72 5.376746673e+02 5.376746673e+02 1.74 4.923639420e+02 4.923639420e+02 1.76 4.516669544e+02 4.516669544e+02 1.78 4.150297549e+02 4.150297549e+02 1.80 3.819745815e+02 3.819745815e+02 1.82 3.520908142e+02 3.520908142e+02 1.84 3.250308835e+02 3.250308835e+02 1.86 3.004821308e+02 3.004821308e+02 1.88 2.781666693e+02 2.781666693e+02 1.90 2.578434351e+02 2.578434351e+02 1.92 2.393032650e+02 2.393032650e+02 1.94 2.223613495e+02 2.223613495e+02 1.96 2.068540801e+02 2.068540801e+02 1.98 1.926455301e+02 1.926455301e+02 2.00 1.796071291e+02 1.796071291e+02 2.02 1.676161415e+02 1.676161415e+02 2.04 1.565713444e+02 1.565713444e+02 2.06 1.463838794e+02 1.463838794e+02 2.08 1.369765614e+02 1.369765614e+02 2.10 1.282780606e+02 1.282780606e+02 2.12 1.202250607e+02 1.202250607e+02 2.14 1.127638949e+02 1.127638949e+02 2.16 1.058397908e+02 1.058397908e+02 2.18 9.940718503e+01 9.940718503e+01 2.20 9.342558741e+01 9.342558741e+01 2.22 8.785867982e+01 8.785867982e+01 2.24 8.266981088e+01 8.266981088e+01 2.26 7.782915855e+01 7.782915855e+01 2.28 7.330954244e+01 7.330954244e+01 2.30 6.908539137e+01 6.908539137e+01 2.32 6.513374079e+01 6.513374079e+01 2.34 6.143117338e+01 6.143117338e+01 2.36 5.796029122e+01 5.796029122e+01 2.38 5.470304538e+01 5.470304538e+01 2.40 5.164298778e+01 5.164298778e+01 2.42 4.876502216e+01 4.876502216e+01 2.44 4.605558369e+01 4.605558369e+01 2.46 4.350228905e+01 4.350228905e+01 2.48 4.109437440e+01 4.109437440e+01 2.50 3.882176243e+01 3.882176243e+01 2.52 3.667530000e+01 3.667530000e+01 2.54 3.464674424e+01 3.464674424e+01 2.56 3.272880490e+01 3.272880490e+01 2.58 3.091527256e+01 3.091527256e+01 2.60 2.919866767e+01 2.919866767e+01 2.62 2.757371172e+01 2.757371172e+01 2.64 2.603571916e+01 2.603571916e+01 2.66 2.457983883e+01 2.457983883e+01 2.68 2.320178059e+01 2.320178059e+01 2.70 2.189747865e+01 2.189747865e+01 2.72 2.066314668e+01 2.066314668e+01 2.74 1.949524248e+01 1.949524248e+01 2.76 1.839043122e+01 1.839043122e+01 2.78 1.734456153e+01 1.734456153e+01 2.80 1.635593500e+01 1.635593500e+01 2.82 1.542161263e+01 1.542161263e+01 2.84 1.453872473e+01 1.453872473e+01 2.86 1.370405572e+01 1.370405572e+01 2.88 1.291597343e+01 1.291597343e+01 2.90 1.217199112e+01 1.217199112e+01 2.92 1.146978771e+01 1.146978771e+01 2.94 1.080627449e+01 1.080627449e+01 2.96 1.018006939e+01 1.018006939e+01 2.98 9.589060537e+00 9.589060537e+00 3.00 9.031147892e+00 9.031147892e+00 3.02 8.504358642e+00 8.504358642e+00 3.04 8.006802637e+00 8.006802637e+00 3.06 7.536673387e+00 7.536673387e+00 3.08 7.092249990e+00 7.092249990e+00 3.10 6.671899589e+00 6.671899589e+00 3.12 6.274080784e+00 6.274080784e+00 3.14 5.897341544e+00 5.897341544e+00 3.16 5.540336523e+00 5.540336523e+00 3.18 5.201726404e+00 5.201726404e+00 3.20 4.880351701e+00 4.880351701e+00 3.22 4.575252309e+00 4.575252309e+00 3.24 4.285438135e+00 4.285438135e+00 3.26 4.010005673e+00 4.010005673e+00 3.28 3.748138763e+00 3.748138763e+00 3.30 3.499096826e+00 3.499096826e+00 3.32 3.262209992e+00 3.262209992e+00 3.34 3.036871764e+00 3.036871764e+00 3.36 2.822531165e+00 2.822531165e+00 3.38 2.618685345e+00 2.618685345e+00 3.40 2.424872478e+00 2.424872478e+00 3.42 2.240665130e+00 2.240665130e+00 3.44 2.065664247e+00 2.065664247e+00 3.46 1.899493623e+00 1.899493623e+00 3.48 1.741790170e+00 1.741790170e+00 3.50 1.592226172e+00 1.592226172e+00 3.52 1.450461892e+00 1.450461892e+00 3.54 1.316175332e+00 1.316175332e+00 3.56 1.189052831e+00 1.189052831e+00 3.58 1.068787744e+00 1.068787744e+00 3.60 9.550795270e-01 9.550795270e-01 3.62 8.476334884e-01 8.476334884e-01 3.64 7.456475561e-01 7.456475561e-01 3.66 6.491860930e-01 6.491860930e-01 3.68 5.581509621e-01 5.581509621e-01 3.70 4.724236227e-01 4.724236227e-01 3.72 3.917291438e-01 3.917291438e-01 3.74 3.157809168e-01 3.157809168e-01 3.76 2.443072508e-01 2.443072508e-01 3.78 1.770508253e-01 1.770508253e-01 3.80 1.137681899e-01 1.137681899e-01 3.82 5.423419779e-02 5.423419779e-02 3.84 -1.772822435e-03 -1.772822435e-03 3.86 -5.445815845e-02 -5.445815845e-02 3.88 -1.040139592e-01 -1.040139592e-01 3.90 -1.506205117e-01 -1.506205117e-01 3.92 -1.944466052e-01 -1.944466052e-01 3.94 -2.356499091e-01 -2.356499091e-01 3.96 -2.743886927e-01 -2.743886927e-01 3.98 -3.108347454e-01 -3.108347454e-01 4.00 -3.450569136e-01 -3.450569136e-01 4.02 -3.771745264e-01 -3.771745264e-01 4.04 -4.075285677e-01 -4.075285677e-01 4.06 -4.359700259e-01 -4.359700259e-01 4.08 -4.625639060e-01 -4.625639060e-01 4.10 -4.874045109e-01 -4.874045109e-01 4.12 -5.105818876e-01 -5.105818876e-01 4.14 -5.321771673e-01 -5.321771673e-01 4.16 -5.522647420e-01 -5.522647420e-01 4.18 -5.709133448e-01 -5.709133448e-01 4.20 -5.881867584e-01 -5.881867584e-01 4.22 -6.041437798e-01 -6.041437798e-01 4.24 -6.190032472e-01 -6.190032472e-01 4.26 -6.326382436e-01 -6.326382436e-01 4.28 -6.450932449e-01 -6.450932449e-01 4.30 -6.564186342e-01 -6.564186342e-01 4.32 -6.666624984e-01 -6.666624984e-01 4.34 -6.758709155e-01 -6.758709155e-01 4.36 -6.840881832e-01 -6.840881832e-01 4.38 -6.913569924e-01 -6.913569924e-01 4.40 -6.977185552e-01 -6.977185552e-01 4.42 -7.032126906e-01 -7.032126906e-01 4.44 -7.078778779e-01 -7.078778779e-01 4.46 -7.117512831e-01 -7.117512831e-01 4.48 -7.148687653e-01 -7.148687653e-01 4.50 -7.174382778e-01 -7.174382778e-01 4.52 -7.193433286e-01 -7.193433286e-01 4.54 -7.205485512e-01 -7.205485512e-01 4.56 -7.210909343e-01 -7.210909343e-01 4.58 -7.210048242e-01 -7.210048242e-01 4.60 -7.203260825e-01 -7.203260825e-01 4.62 -7.190856213e-01 -7.190856213e-01 4.64 -7.173119075e-01 -7.173119075e-01 4.66 -7.150319723e-01 -7.150319723e-01 4.68 -7.122706029e-01 -7.122706029e-01 4.70 -7.090508091e-01 -7.090508091e-01 4.72 -7.053939461e-01 -7.053939461e-01 4.74 -7.013198371e-01 -7.013198371e-01 4.76 -6.968468947e-01 -6.968468947e-01 4.78 -6.919922416e-01 -6.919922416e-01 4.80 -6.867718298e-01 -6.867718298e-01 4.82 -6.812005569e-01 -6.812005569e-01 4.84 -6.752923799e-01 -6.752923799e-01 4.86 -6.690604262e-01 -6.690604262e-01 4.88 -6.625170994e-01 -6.625170994e-01 4.90 -6.556741815e-01 -6.556741815e-01 4.92 -6.485429294e-01 -6.485429294e-01 4.94 -6.411341665e-01 -6.411341665e-01 4.96 -6.334583049e-01 -6.334583049e-01 4.98 -6.255253436e-01 -6.255253436e-01 5.00 -6.173455948e-01 -6.173455948e-01 5.02 -6.089289271e-01 -6.089289271e-01 5.04 -6.002851324e-01 -6.002851324e-01 5.06 -5.914239768e-01 -5.914239768e-01 5.08 -5.823552425e-01 -5.823552425e-01 5.10 -5.730887636e-01 -5.730887636e-01 5.12 -5.636344548e-01 -5.636344548e-01 5.14 -5.540023330e-01 -5.540023330e-01 5.16 -5.442025328e-01 -5.442025328e-01 5.18 -5.342453163e-01 -5.342453163e-01 5.20 -5.241410773e-01 -5.241410773e-01 5.22 -5.139003406e-01 -5.139003406e-01 5.24 -5.035337579e-01 -5.035337579e-01 5.26 -4.930520989e-01 -4.930520989e-01 5.28 -4.824662408e-01 -4.824662408e-01 5.30 -4.717871548e-01 -4.717871548e-01 5.32 -4.610258911e-01 -4.610258911e-01 5.34 -4.501935626e-01 -4.501935626e-01 5.36 -4.393013290e-01 -4.393013290e-01 5.38 -4.283603796e-01 -4.283603796e-01 5.40 -4.173820401e-01 -4.173820401e-01 5.42 -4.063774475e-01 -4.063774475e-01 5.44 -3.953576920e-01 -3.953576920e-01 5.46 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