# 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 = Pd2TaZr # 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 4.129025830e+02 4.129025830e+02 1.30 3.843756961e+02 3.843756961e+02 1.32 3.579012472e+02 3.579012472e+02 1.34 3.333187212e+02 3.333187212e+02 1.36 3.104770855e+02 3.104770855e+02 1.38 2.892358951e+02 2.892358951e+02 1.40 2.694663154e+02 2.694663154e+02 1.42 2.510515837e+02 2.510515837e+02 1.44 2.338868561e+02 2.338868561e+02 1.46 2.178782209e+02 2.178782209e+02 1.48 2.029411129e+02 2.029411129e+02 1.50 1.889989173e+02 1.889989173e+02 1.52 1.759819629e+02 1.759819629e+02 1.54 1.638263947e+02 1.638263947e+02 1.56 1.524728585e+02 1.524728585e+02 1.58 1.418652813e+02 1.418652813e+02 1.60 1.319504018e+02 1.319504018e+02 1.62 1.226780670e+02 1.226780670e+02 1.64 1.140019246e+02 1.140019246e+02 1.66 1.058798118e+02 1.058798118e+02 1.68 9.827362650e+01 9.827362650e+01 1.70 9.114868775e+01 9.114868775e+01 1.72 8.447288305e+01 8.447288305e+01 1.74 7.821595088e+01 7.821595088e+01 1.76 7.234917005e+01 7.234917005e+01 1.78 6.684543565e+01 6.684543565e+01 1.80 6.167952460e+01 6.167952460e+01 1.82 5.682827219e+01 5.682827219e+01 1.84 5.227064106e+01 5.227064106e+01 1.86 4.798758824e+01 4.798758824e+01 1.88 4.396347863e+01 4.396347863e+01 1.90 4.018569203e+01 4.018569203e+01 1.92 3.663904491e+01 3.663904491e+01 1.94 3.331481950e+01 3.331481950e+01 1.96 3.022255565e+01 3.022255565e+01 1.98 2.735063763e+01 2.735063763e+01 2.00 2.468575968e+01 2.468575968e+01 2.02 2.221538048e+01 2.221538048e+01 2.04 1.992739914e+01 1.992739914e+01 2.06 1.780998298e+01 1.780998298e+01 2.08 1.585155729e+01 1.585155729e+01 2.10 1.404091372e+01 1.404091372e+01 2.12 1.236733390e+01 1.236733390e+01 2.14 1.082070639e+01 1.082070639e+01 2.16 9.391596337e+00 9.391596337e+00 2.18 8.071274111e+00 8.071274111e+00 2.20 6.851721912e+00 6.851721912e+00 2.22 5.725601452e+00 5.725601452e+00 2.24 4.686206056e+00 4.686206056e+00 2.26 3.727401751e+00 3.727401751e+00 2.28 2.843559180e+00 2.843559180e+00 2.30 2.029499604e+00 2.029499604e+00 2.32 1.280429257e+00 1.280429257e+00 2.34 5.918789676e-01 5.918789676e-01 2.36 -4.034112223e-02 -4.034112223e-02 2.38 -6.201781441e-01 -6.201781441e-01 2.40 -1.151359659e+00 -1.151359659e+00 2.42 -1.637412726e+00 -1.637412726e+00 2.44 -2.081671694e+00 -2.081671694e+00 2.46 -2.487289377e+00 -2.487289377e+00 2.48 -2.857236769e+00 -2.857236769e+00 2.50 -3.194294365e+00 -3.194294365e+00 2.52 -3.501036228e+00 -3.501036228e+00 2.54 -3.779813130e+00 -3.779813130e+00 2.56 -4.032741783e+00 -4.032741783e+00 2.58 -4.261622200e+00 -4.261622200e+00 2.60 -4.468154600e+00 -4.468154600e+00 2.62 -4.653924954e+00 -4.653924954e+00 2.64 -4.820357569e+00 -4.820357569e+00 2.66 -4.968784209e+00 -4.968784209e+00 2.68 -5.100319868e+00 -5.100319868e+00 2.70 -5.215990313e+00 -5.215990313e+00 2.72 -5.316766635e+00 -5.316766635e+00 2.74 -5.403546576e+00 -5.403546576e+00 2.76 -5.477047487e+00 -5.477047487e+00 2.78 -5.537922213e+00 -5.537922213e+00 2.80 -5.586816754e+00 -5.586816754e+00 2.82 -5.624271703e+00 -5.624271703e+00 2.84 -5.650747160e+00 -5.650747160e+00 2.86 -5.666726653e+00 -5.666726653e+00 2.88 -5.672720719e+00 -5.672720719e+00 2.90 -5.669264612e+00 -5.669264612e+00 2.92 -5.656913543e+00 -5.656913543e+00 2.94 -5.636234384e+00 -5.636234384e+00 2.96 -5.607794154e+00 -5.607794154e+00 2.98 -5.572146943e+00 -5.572146943e+00 3.00 -5.529821647e+00 -5.529821647e+00 3.02 -5.481312738e+00 -5.481312738e+00 3.04 -5.427312796e+00 -5.427312796e+00 3.06 -5.368585514e+00 -5.368585514e+00 3.08 -5.305276992e+00 -5.305276992e+00 3.10 -5.237536768e+00 -5.237536768e+00 3.12 -5.165529432e+00 -5.165529432e+00 3.14 -5.089444194e+00 -5.089444194e+00 3.16 -5.009484460e+00 -5.009484460e+00 3.18 -4.925879289e+00 -4.925879289e+00 3.20 -4.838883361e+00 -4.838883361e+00 3.22 -4.748781629e+00 -4.748781629e+00 3.24 -4.655927235e+00 -4.655927235e+00 3.26 -4.560733216e+00 -4.560733216e+00 3.28 -4.463632972e+00 -4.463632972e+00 3.30 -4.365076047e+00 -4.365076047e+00 3.32 -4.265520164e+00 -4.265520164e+00 3.34 -4.165418479e+00 -4.165418479e+00 3.36 -4.065203724e+00 -4.065203724e+00 3.38 -3.965271938e+00 -3.965271938e+00 3.40 -3.865967552e+00 -3.865967552e+00 3.42 -3.767578260e+00 -3.767578260e+00 3.44 -3.670323941e+00 -3.670323941e+00 3.46 -3.574362289e+00 -3.574362289e+00 3.48 -3.479792132e+00 -3.479792132e+00 3.50 -3.386660673e+00 -3.386660673e+00 3.52 -3.294972104e+00 -3.294972104e+00 3.54 -3.204696689e+00 -3.204696689e+00 3.56 -3.115779683e+00 -3.115779683e+00 3.58 -3.028149739e+00 -3.028149739e+00 3.60 -2.941726666e+00 -2.941726666e+00 3.62 -2.856428517e+00 -2.856428517e+00 3.64 -2.772178061e+00 -2.772178061e+00 3.66 -2.688908701e+00 -2.688908701e+00 3.68 -2.606569842e+00 -2.606569842e+00 3.70 -2.525131673e+00 -2.525131673e+00 3.72 -2.444589194e+00 -2.444589194e+00 3.74 -2.364965279e+00 -2.364965279e+00 3.76 -2.286312450e+00 -2.286312450e+00 3.78 -2.208713046e+00 -2.208713046e+00 3.80 -2.132277465e+00 -2.132277465e+00 3.82 -2.057140282e+00 -2.057140282e+00 3.84 -1.983454219e+00 -1.983454219e+00 3.86 -1.911382204e+00 -1.911382204e+00 3.88 -1.841088080e+00 -1.841088080e+00 3.90 -1.772726831e+00 -1.772726831e+00 3.92 -1.706433507e+00 -1.706433507e+00 3.94 -1.642323525e+00 -1.642323525e+00 3.96 -1.580475219e+00 -1.580475219e+00 3.98 -1.520936560e+00 -1.520936560e+00 4.00 -1.463723690e+00 -1.463723690e+00 4.02 -1.408824237e+00 -1.408824237e+00 4.04 -1.356202249e+00 -1.356202249e+00 4.06 -1.305803830e+00 -1.305803830e+00 4.08 -1.257562658e+00 -1.257562658e+00 4.10 -1.211400863e+00 -1.211400863e+00 4.12 -1.167248843e+00 -1.167248843e+00 4.14 -1.125022045e+00 -1.125022045e+00 4.16 -1.084640203e+00 -1.084640203e+00 4.18 -1.046022902e+00 -1.046022902e+00 4.20 -1.009089388e+00 -1.009089388e+00 4.22 -9.737581968e-01 -9.737581968e-01 4.24 -9.399468649e-01 -9.399468649e-01 4.26 -9.075718830e-01 -9.075718830e-01 4.28 -8.765489716e-01 -8.765489716e-01 4.30 -8.467936363e-01 -8.467936363e-01 4.32 -8.182219194e-01 -8.182219194e-01 4.34 -7.907512364e-01 -7.907512364e-01 4.36 -7.643011943e-01 -7.643011943e-01 4.38 -7.387943183e-01 -7.387943183e-01 4.40 -7.141566458e-01 -7.141566458e-01 4.42 -6.903181811e-01 -6.903181811e-01 4.44 -6.672132293e-01 -6.672132293e-01 4.46 -6.447806434e-01 -6.447806434e-01 4.48 -6.229640289e-01 -6.229640289e-01 4.50 -6.017119433e-01 -6.017119433e-01 4.52 -5.809781300e-01 -5.809781300e-01 4.54 -5.607218058e-01 -5.607218058e-01 4.56 -5.409080133e-01 -5.409080133e-01 4.58 -5.215080287e-01 -5.215080287e-01 4.60 -5.024997950e-01 -5.024997950e-01 4.62 -4.838683357e-01 -4.838683357e-01 4.64 -4.656060786e-01 -4.656060786e-01 4.66 -4.477130147e-01 -4.477130147e-01 4.68 -4.301966044e-01 -4.301966044e-01 4.70 -4.130713559e-01 -4.130713559e-01 4.72 -3.963580183e-01 -3.963580183e-01 4.74 -3.800823711e-01 -3.800823711e-01 4.76 -3.642736364e-01 -3.642736364e-01 4.78 -3.489625970e-01 -3.489625970e-01 4.80 -3.341764026e-01 -3.341764026e-01 4.82 -3.199496350e-01 -3.199496350e-01 4.84 -3.063018701e-01 -3.063018701e-01 4.86 -2.932505208e-01 -2.932505208e-01 4.88 -2.808059648e-01 -2.808059648e-01 4.90 -2.689709858e-01 -2.689709858e-01 4.92 -2.577407382e-01 -2.577407382e-01 4.94 -2.471031829e-01 -2.471031829e-01 4.96 -2.370398949e-01 -2.370398949e-01 4.98 -2.275271267e-01 -2.275271267e-01 5.00 -2.185370034e-01 -2.185370034e-01 5.02 -2.100387375e-01 -2.100387375e-01 5.04 -2.019996182e-01 -2.019996182e-01 5.06 -1.943862937e-01 -1.943862937e-01 5.08 -1.871657646e-01 -1.871657646e-01 5.10 -1.803057426e-01 -1.803057426e-01 5.12 -1.737752030e-01 -1.737752030e-01 5.14 -1.675447787e-01 -1.675447787e-01 5.16 -1.615870211e-01 -1.615870211e-01 5.18 -1.558765581e-01 -1.558765581e-01 5.20 -1.503901766e-01 -1.503901766e-01 5.22 -1.451068560e-01 -1.451068560e-01 5.24 -1.400077717e-01 -1.400077717e-01 5.26 -1.350762847e-01 -1.350762847e-01 5.28 -1.302979271e-01 -1.302979271e-01 5.30 -1.256603864e-01 -1.256603864e-01 5.32 -1.211534893e-01 -1.211534893e-01 5.34 -1.167691771e-01 -1.167691771e-01 5.36 -1.125014639e-01 -1.125014639e-01 5.38 -1.083463618e-01 -1.083463618e-01 5.40 -1.043017640e-01 -1.043017640e-01 5.42 -1.003672706e-01 -1.003672706e-01 5.44 -9.654395069e-02 -9.654395069e-02 5.46 -9.283403917e-02 -9.283403917e-02 5.48 -8.924057898e-02 -8.924057898e-02 5.50 -8.576702346e-02 -8.576702346e-02 5.52 -8.241682186e-02 -8.241682186e-02 5.54 -7.919302311e-02 -7.919302311e-02 5.56 -7.609792574e-02 -7.609792574e-02 5.58 -7.313280019e-02 -7.313280019e-02 5.60 -7.029761752e-02 -7.029761752e-02 5.62 -6.759103547e-02 -6.759103547e-02 5.64 -6.501060945e-02 -6.501060945e-02 5.66 -6.255264919e-02 -6.255264919e-02 5.68 -6.021237104e-02 -6.021237104e-02 5.70 -5.798409637e-02 -5.798409637e-02 5.72 -5.586146821e-02 -5.586146821e-02 5.74 -5.383766654e-02 -5.383766654e-02 5.76 -5.190560778e-02 -5.190560778e-02 5.78 -5.005811866e-02 -5.005811866e-02 5.80 -4.828807960e-02 -4.828807960e-02 5.82 -4.658853673e-02 -4.658853673e-02 5.84 -4.495278421e-02 -4.495278421e-02 5.86 -4.337442087e-02 -4.337442087e-02 5.88 -4.184738583e-02 -4.184738583e-02 5.90 -4.036597824e-02 -4.036597824e-02 5.92 -3.892486617e-02 -3.892486617e-02 5.94 -3.751908919e-02 -3.751908919e-02 5.96 -3.614405867e-02 -3.614405867e-02 5.98 -3.479555905e-02 -3.479555905e-02 6.00 -3.346975132e-02 -3.346975132e-02