# 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 = AgMg2Ta # 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 4.015947034e+02 4.015947034e+02 1.30 3.723574685e+02 3.723574685e+02 1.32 3.452977476e+02 3.452977476e+02 1.34 3.202388483e+02 3.202388483e+02 1.36 2.970219886e+02 2.970219886e+02 1.38 2.755044400e+02 2.755044400e+02 1.40 2.555572154e+02 2.555572154e+02 1.42 2.370627261e+02 2.370627261e+02 1.44 2.199126129e+02 2.199126129e+02 1.46 2.040058760e+02 2.040058760e+02 1.48 1.892475650e+02 1.892475650e+02 1.50 1.755482768e+02 1.755482768e+02 1.52 1.628244076e+02 1.628244076e+02 1.54 1.509987719e+02 1.509987719e+02 1.56 1.400011647e+02 1.400011647e+02 1.58 1.297684985e+02 1.297684985e+02 1.60 1.202443494e+02 1.202443494e+02 1.62 1.113780215e+02 1.113780215e+02 1.64 1.031234664e+02 1.031234664e+02 1.66 9.543847157e+01 9.543847157e+01 1.68 8.828781725e+01 8.828781725e+01 1.70 8.163660132e+01 8.163660132e+01 1.72 7.545043059e+01 7.545043059e+01 1.74 6.969828777e+01 6.969828777e+01 1.76 6.435112195e+01 6.435112195e+01 1.78 5.938106866e+01 5.938106866e+01 1.80 5.476252783e+01 5.476252783e+01 1.82 5.047171418e+01 5.047171418e+01 1.84 4.648649836e+01 4.648649836e+01 1.86 4.278626705e+01 4.278626705e+01 1.88 3.935175683e+01 3.935175683e+01 1.90 3.616486716e+01 3.616486716e+01 1.92 3.320846940e+01 3.320846940e+01 1.94 3.046624781e+01 3.046624781e+01 1.96 2.792261309e+01 2.792261309e+01 1.98 2.556270997e+01 2.556270997e+01 2.00 2.337250883e+01 2.337250883e+01 2.02 2.133894215e+01 2.133894215e+01 2.04 1.945003438e+01 1.945003438e+01 2.06 1.769497279e+01 1.769497279e+01 2.08 1.606408919e+01 1.606408919e+01 2.10 1.454876071e+01 1.454876071e+01 2.12 1.314126033e+01 1.314126033e+01 2.14 1.183459724e+01 1.183459724e+01 2.16 1.062237537e+01 1.062237537e+01 2.18 9.498678366e+00 9.498678366e+00 2.20 8.457983186e+00 8.457983186e+00 2.22 7.495091908e+00 7.495091908e+00 2.24 6.605080103e+00 6.605080103e+00 2.26 5.783255975e+00 5.783255975e+00 2.28 5.025125446e+00 5.025125446e+00 2.30 4.326372783e+00 4.326372783e+00 2.32 3.682979400e+00 3.682979400e+00 2.34 3.090813606e+00 3.090813606e+00 2.36 2.545795254e+00 2.545795254e+00 2.38 2.044085006e+00 2.044085006e+00 2.40 1.582122641e+00 1.582122641e+00 2.42 1.156664737e+00 1.156664737e+00 2.44 7.650707684e-01 7.650707684e-01 2.46 4.052024013e-01 4.052024013e-01 2.48 7.500231729e-02 7.500231729e-02 2.50 -2.275038904e-01 -2.275038904e-01 2.52 -5.041922090e-01 -5.041922090e-01 2.54 -7.568344727e-01 -7.568344727e-01 2.56 -9.870988368e-01 -9.870988368e-01 2.58 -1.196553323e+00 -1.196553323e+00 2.60 -1.386670040e+00 -1.386670040e+00 2.62 -1.558828009e+00 -1.558828009e+00 2.64 -1.714315847e+00 -1.714315847e+00 2.66 -1.854329524e+00 -1.854329524e+00 2.68 -1.979974551e+00 -1.979974551e+00 2.70 -2.092268371e+00 -2.092268371e+00 2.72 -2.192146145e+00 -2.192146145e+00 2.74 -2.280468743e+00 -2.280468743e+00 2.76 -2.358031437e+00 -2.358031437e+00 2.78 -2.425571725e+00 -2.425571725e+00 2.80 -2.483777036e+00 -2.483777036e+00 2.82 -2.533288540e+00 -2.533288540e+00 2.84 -2.574706619e+00 -2.574706619e+00 2.86 -2.608594133e+00 -2.608594133e+00 2.88 -2.635479503e+00 -2.635479503e+00 2.90 -2.655894001e+00 -2.655894001e+00 2.92 -2.670380934e+00 -2.670380934e+00 2.94 -2.679277364e+00 -2.679277364e+00 2.96 -2.682898033e+00 -2.682898033e+00 2.98 -2.681550508e+00 -2.681550508e+00 3.00 -2.675533632e+00 -2.675533632e+00 3.02 -2.665136164e+00 -2.665136164e+00 3.04 -2.650635262e+00 -2.650635262e+00 3.06 -2.632301095e+00 -2.632301095e+00 3.08 -2.610398939e+00 -2.610398939e+00 3.10 -2.585178941e+00 -2.585178941e+00 3.12 -2.556873872e+00 -2.556873872e+00 3.14 -2.525702404e+00 -2.525702404e+00 3.16 -2.491869428e+00 -2.491869428e+00 3.18 -2.455573406e+00 -2.455573406e+00 3.20 -2.417012640e+00 -2.417012640e+00 3.22 -2.376392946e+00 -2.376392946e+00 3.24 -2.333934951e+00 -2.333934951e+00 3.26 -2.289879641e+00 -2.289879641e+00 3.28 -2.244490811e+00 -2.244490811e+00 3.30 -2.198053438e+00 -2.198053438e+00 3.32 -2.150867676e+00 -2.150867676e+00 3.34 -2.103239045e+00 -2.103239045e+00 3.36 -2.055466179e+00 -2.055466179e+00 3.38 -2.007828002e+00 -2.007828002e+00 3.40 -1.960580058e+00 -1.960580058e+00 3.42 -1.913961439e+00 -1.913961439e+00 3.44 -1.868105718e+00 -1.868105718e+00 3.46 -1.823096755e+00 -1.823096755e+00 3.48 -1.778978722e+00 -1.778978722e+00 3.50 -1.735759737e+00 -1.735759737e+00 3.52 -1.693417342e+00 -1.693417342e+00 3.54 -1.651904990e+00 -1.651904990e+00 3.56 -1.611153864e+00 -1.611153864e+00 3.58 -1.571021950e+00 -1.571021950e+00 3.60 -1.531323278e+00 -1.531323278e+00 3.62 -1.491880589e+00 -1.491880589e+00 3.64 -1.452530420e+00 -1.452530420e+00 3.66 -1.413127374e+00 -1.413127374e+00 3.68 -1.373548431e+00 -1.373548431e+00 3.70 -1.333697293e+00 -1.333697293e+00 3.72 -1.293508581e+00 -1.293508581e+00 3.74 -1.252951619e+00 -1.252951619e+00 3.76 -1.212033392e+00 -1.212033392e+00 3.78 -1.170800202e+00 -1.170800202e+00 3.80 -1.129337525e+00 -1.129337525e+00 3.82 -1.087767690e+00 -1.087767690e+00 3.84 -1.046245165e+00 -1.046245165e+00 3.86 -1.004949539e+00 -1.004949539e+00 3.88 -9.640765884e-01 -9.640765884e-01 3.90 -9.238281354e-01 -9.238281354e-01 3.92 -8.844014320e-01 -8.844014320e-01 3.94 -8.459801372e-01 -8.459801372e-01 3.96 -8.087249340e-01 -8.087249340e-01 3.98 -7.727683355e-01 -7.727683355e-01 4.00 -7.382109516e-01 -7.382109516e-01 4.02 -7.051204566e-01 -7.051204566e-01 4.04 -6.735327414e-01 -6.735327414e-01 4.06 -6.434547741e-01 -6.434547741e-01 4.08 -6.148686189e-01 -6.148686189e-01 4.10 -5.877354139e-01 -5.877354139e-01 4.12 -5.620029978e-01 -5.620029978e-01 4.14 -5.376060951e-01 -5.376060951e-01 4.16 -5.144736722e-01 -5.144736722e-01 4.18 -4.925317381e-01 -4.925317381e-01 4.20 -4.717063453e-01 -4.717063453e-01 4.22 -4.519259324e-01 -4.519259324e-01 4.24 -4.331230256e-01 -4.331230256e-01 4.26 -4.152353385e-01 -4.152353385e-01 4.28 -3.982063217e-01 -3.982063217e-01 4.30 -3.819852291e-01 -3.819852291e-01 4.32 -3.665267796e-01 -3.665267796e-01 4.34 -3.517905079e-01 -3.517905079e-01 4.36 -3.377399127e-01 -3.377399127e-01 4.38 -3.243415134e-01 -3.243415134e-01 4.40 -3.115639277e-01 -3.115639277e-01 4.42 -2.993770612e-01 -2.993770612e-01 4.44 -2.877514765e-01 -2.877514765e-01 4.46 -2.766579759e-01 -2.766579759e-01 4.48 -2.660673947e-01 -2.660673947e-01 4.50 -2.559505811e-01 -2.559505811e-01 4.52 -2.462785142e-01 -2.462785142e-01 4.54 -2.370225110e-01 -2.370225110e-01 4.56 -2.281544726e-01 -2.281544726e-01 4.58 -2.196471313e-01 -2.196471313e-01 4.60 -2.114742715e-01 -2.114742715e-01 4.62 -2.036109113e-01 -2.036109113e-01 4.64 -1.960334413e-01 -1.960334413e-01 4.66 -1.887197243e-01 -1.887197243e-01 4.68 -1.816491657e-01 -1.816491657e-01 4.70 -1.748027645e-01 -1.748027645e-01 4.72 -1.681631561e-01 -1.681631561e-01 4.74 -1.617146561e-01 -1.617146561e-01 4.76 -1.554433095e-01 -1.554433095e-01 4.78 -1.493369501e-01 -1.493369501e-01 4.80 -1.433848699e-01 -1.433848699e-01 4.82 -1.375795457e-01 -1.375795457e-01 4.84 -1.319140976e-01 -1.319140976e-01 4.86 -1.263841557e-01 -1.263841557e-01 4.88 -1.209873839e-01 -1.209873839e-01 4.90 -1.157234345e-01 -1.157234345e-01 4.92 -1.105938342e-01 -1.105938342e-01 4.94 -1.056017905e-01 -1.056017905e-01 4.96 -1.007519125e-01 -1.007519125e-01 4.98 -9.604985020e-02 -9.604985020e-02 5.00 -9.150186453e-02 -9.150186453e-02 5.02 -8.711435443e-02 -8.711435443e-02 5.04 -8.289337327e-02 -8.289337327e-02 5.06 -7.884414980e-02 -7.884414980e-02 5.08 -7.497069260e-02 -7.497069260e-02 5.10 -7.127547749e-02 -7.127547749e-02 5.12 -6.775924425e-02 -6.775924425e-02 5.14 -6.442091353e-02 -6.442091353e-02 5.16 -6.125762127e-02 -6.125762127e-02 5.18 -5.826484910e-02 -5.826484910e-02 5.20 -5.543592126e-02 -5.543592126e-02 5.22 -5.276367502e-02 -5.276367502e-02 5.24 -5.024061889e-02 -5.024061889e-02 5.26 -4.785857702e-02 -4.785857702e-02 5.28 -4.560902085e-02 -4.560902085e-02 5.30 -4.348336437e-02 -4.348336437e-02 5.32 -4.147321341e-02 -4.147321341e-02 5.34 -3.957056394e-02 -3.957056394e-02 5.36 -3.776794830e-02 -3.776794830e-02 5.38 -3.605853098e-02 -3.605853098e-02 5.40 -3.443615665e-02 -3.443615665e-02 5.42 -3.289535528e-02 -3.289535528e-02 5.44 -3.143131044e-02 -3.143131044e-02 5.46 -3.003979732e-02 -3.003979732e-02 5.48 -2.871709862e-02 -2.871709862e-02 5.50 -2.745990694e-02 -2.745990694e-02 5.52 -2.626522259e-02 -2.626522259e-02 5.54 -2.513025557e-02 -2.513025557e-02 5.56 -2.405233911e-02 -2.405233911e-02 5.58 -2.302886008e-02 -2.302886008e-02 5.60 -2.205720960e-02 -2.205720960e-02 5.62 -2.113475421e-02 -2.113475421e-02 5.64 -2.025882598e-02 -2.025882598e-02 5.66 -1.942672822e-02 -1.942672822e-02 5.68 -1.863575239e-02 -1.863575239e-02 5.70 -1.788320175e-02 -1.788320175e-02 5.72 -1.716641768e-02 -1.716641768e-02 5.74 -1.648280467e-02 -1.648280467e-02 5.76 -1.582981813e-02 -1.582981813e-02 5.78 -1.520503896e-02 -1.520503896e-02 5.80 -1.460618912e-02 -1.460618912e-02 5.82 -1.403111455e-02 -1.403111455e-02 5.84 -1.347778931e-02 -1.347778931e-02 5.86 -1.294431631e-02 -1.294431631e-02 5.88 -1.242892562e-02 -1.242892562e-02 5.90 -1.192997137e-02 -1.192997137e-02 5.92 -1.144592811e-02 -1.144592811e-02 5.94 -1.097538737e-02 -1.097538737e-02 5.96 -1.051705512e-02 -1.051705512e-02 5.98 -1.006975067e-02 -1.006975067e-02 6.00 -9.632407223e-03 -9.632407223e-03