# 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 = Ta2WZr # 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 4.276733965e+02 4.276733965e+02 1.30 3.968041469e+02 3.968041469e+02 1.32 3.682179097e+02 3.682179097e+02 1.34 3.417306994e+02 3.417306994e+02 1.36 3.171745888e+02 3.171745888e+02 1.38 2.943957629e+02 2.943957629e+02 1.40 2.732535841e+02 2.732535841e+02 1.42 2.536198824e+02 2.536198824e+02 1.44 2.353778467e+02 2.353778467e+02 1.46 2.184204233e+02 2.184204233e+02 1.48 2.026486918e+02 2.026486918e+02 1.50 1.879707815e+02 1.879707815e+02 1.52 1.743016534e+02 1.743016534e+02 1.54 1.615635050e+02 1.615635050e+02 1.56 1.496863972e+02 1.496863972e+02 1.58 1.386084225e+02 1.386084225e+02 1.60 1.282750431e+02 1.282750431e+02 1.62 1.186376928e+02 1.186376928e+02 1.64 1.096522317e+02 1.096522317e+02 1.66 1.012776952e+02 1.012776952e+02 1.68 9.347554791e+01 9.347554791e+01 1.70 8.620937276e+01 8.620937276e+01 1.72 7.944467934e+01 7.944467934e+01 1.74 7.314871887e+01 7.314871887e+01 1.76 6.729028507e+01 6.729028507e+01 1.78 6.183959403e+01 6.183959403e+01 1.80 5.676827303e+01 5.676827303e+01 1.82 5.204945983e+01 5.204945983e+01 1.84 4.765795426e+01 4.765795426e+01 1.86 4.357040582e+01 4.357040582e+01 1.88 3.976538585e+01 3.976538585e+01 1.90 3.622328221e+01 3.622328221e+01 1.92 3.292603146e+01 3.292603146e+01 1.94 2.985675961e+01 2.985675961e+01 1.96 2.699948183e+01 2.699948183e+01 1.98 2.433893707e+01 2.433893707e+01 2.00 2.186057181e+01 2.186057181e+01 2.02 1.955062458e+01 1.955062458e+01 2.04 1.739838513e+01 1.739838513e+01 2.06 1.539863241e+01 1.539863241e+01 2.08 1.354055748e+01 1.354055748e+01 2.10 1.181370374e+01 1.181370374e+01 2.12 1.020858650e+01 1.020858650e+01 2.14 8.716594779e+00 8.716594779e+00 2.16 7.329913865e+00 7.329913865e+00 2.18 6.041457380e+00 6.041457380e+00 2.20 4.844805233e+00 4.844805233e+00 2.22 3.734116797e+00 3.734116797e+00 2.24 2.704038207e+00 2.704038207e+00 2.26 1.749610921e+00 1.749610921e+00 2.28 8.661777481e-01 8.661777481e-01 2.30 4.933212047e-02 4.933212047e-02 2.32 -7.051527814e-01 -7.051527814e-01 2.34 -1.401345362e+00 -1.401345362e+00 2.36 -2.043173823e+00 -2.043173823e+00 2.38 -2.634414971e+00 -2.634414971e+00 2.40 -3.178670287e+00 -3.178670287e+00 2.42 -3.679341244e+00 -3.679341244e+00 2.44 -4.139602233e+00 -4.139602233e+00 2.46 -4.562388233e+00 -4.562388233e+00 2.48 -4.950386397e+00 -4.950386397e+00 2.50 -5.306035975e+00 -5.306035975e+00 2.52 -5.631536196e+00 -5.631536196e+00 2.54 -5.928861856e+00 -5.928861856e+00 2.56 -6.199784821e+00 -6.199784821e+00 2.58 -6.445898966e+00 -6.445898966e+00 2.60 -6.668646666e+00 -6.668646666e+00 2.62 -6.869343919e+00 -6.869343919e+00 2.64 -7.049211900e+00 -7.049211900e+00 2.66 -7.209388650e+00 -7.209388650e+00 2.68 -7.350953994e+00 -7.350953994e+00 2.70 -7.474939770e+00 -7.474939770e+00 2.72 -7.582336899e+00 -7.582336899e+00 2.74 -7.674097687e+00 -7.674097687e+00 2.76 -7.751134313e+00 -7.751134313e+00 2.78 -7.814287739e+00 -7.814287739e+00 2.80 -7.864338635e+00 -7.864338635e+00 2.82 -7.902092788e+00 -7.902092788e+00 2.84 -7.928161381e+00 -7.928161381e+00 2.86 -7.943354934e+00 -7.943354934e+00 2.88 -7.948509094e+00 -7.948509094e+00 2.90 -7.944278932e+00 -7.944278932e+00 2.92 -7.931278727e+00 -7.931278727e+00 2.94 -7.910095027e+00 -7.910095027e+00 2.96 -7.881288245e+00 -7.881288245e+00 2.98 -7.845304166e+00 -7.845304166e+00 3.00 -7.802443148e+00 -7.802443148e+00 3.02 -7.752600694e+00 -7.752600694e+00 3.04 -7.695432046e+00 -7.695432046e+00 3.06 -7.630712118e+00 -7.630712118e+00 3.08 -7.558307989e+00 -7.558307989e+00 3.10 -7.478168158e+00 -7.478168158e+00 3.12 -7.390299931e+00 -7.390299931e+00 3.14 -7.294765518e+00 -7.294765518e+00 3.16 -7.191660066e+00 -7.191660066e+00 3.18 -7.081119825e+00 -7.081119825e+00 3.20 -6.963322679e+00 -6.963322679e+00 3.22 -6.838496122e+00 -6.838496122e+00 3.24 -6.706928652e+00 -6.706928652e+00 3.26 -6.568982413e+00 -6.568982413e+00 3.28 -6.425104134e+00 -6.425104134e+00 3.30 -6.275831006e+00 -6.275831006e+00 3.32 -6.121788753e+00 -6.121788753e+00 3.34 -5.963680637e+00 -5.963680637e+00 3.36 -5.802268243e+00 -5.802268243e+00 3.38 -5.638346651e+00 -5.638346651e+00 3.40 -5.472716678e+00 -5.472716678e+00 3.42 -5.306162153e+00 -5.306162153e+00 3.44 -5.139421730e+00 -5.139421730e+00 3.46 -4.973173525e+00 -4.973173525e+00 3.48 -4.808019121e+00 -4.808019121e+00 3.50 -4.644472496e+00 -4.644472496e+00 3.52 -4.482952927e+00 -4.482952927e+00 3.54 -4.323782114e+00 -4.323782114e+00 3.56 -4.167185885e+00 -4.167185885e+00 3.58 -4.013300697e+00 -4.013300697e+00 3.60 -3.862184883e+00 -3.862184883e+00 3.62 -3.713834139e+00 -3.713834139e+00 3.64 -3.568200379e+00 -3.568200379e+00 3.66 -3.425212698e+00 -3.425212698e+00 3.68 -3.284799001e+00 -3.284799001e+00 3.70 -3.146906736e+00 -3.146906736e+00 3.72 -3.011521194e+00 -3.011521194e+00 3.74 -2.878679979e+00 -2.878679979e+00 3.76 -2.748482444e+00 -2.748482444e+00 3.78 -2.621093263e+00 -2.621093263e+00 3.80 -2.496739649e+00 -2.496739649e+00 3.82 -2.375702304e+00 -2.375702304e+00 3.84 -2.258300673e+00 -2.258300673e+00 3.86 -2.144873726e+00 -2.144873726e+00 3.88 -2.035757991e+00 -2.035757991e+00 3.90 -1.931264966e+00 -1.931264966e+00 3.92 -1.831658296e+00 -1.831658296e+00 3.94 -1.737144749e+00 -1.737144749e+00 3.96 -1.647849752e+00 -1.647849752e+00 3.98 -1.563820917e+00 -1.563820917e+00 4.00 -1.485026331e+00 -1.485026331e+00 4.02 -1.411360576e+00 -1.411360576e+00 4.04 -1.342654707e+00 -1.342654707e+00 4.06 -1.278688613e+00 -1.278688613e+00 4.08 -1.219204259e+00 -1.219204259e+00 4.10 -1.163912979e+00 -1.163912979e+00 4.12 -1.112530654e+00 -1.112530654e+00 4.14 -1.064750562e+00 -1.064750562e+00 4.16 -1.020277527e+00 -1.020277527e+00 4.18 -9.788270373e-01 -9.788270373e-01 4.20 -9.401295671e-01 -9.401295671e-01 4.22 -9.039333634e-01 -9.039333634e-01 4.24 -8.700059871e-01 -8.700059871e-01 4.26 -8.381348700e-01 -8.381348700e-01 4.28 -8.081271322e-01 -8.081271322e-01 4.30 -7.798088728e-01 -7.798088728e-01 4.32 -7.530241073e-01 -7.530241073e-01 4.34 -7.276334893e-01 -7.276334893e-01 4.36 -7.035129245e-01 -7.035129245e-01 4.38 -6.805521518e-01 -6.805521518e-01 4.40 -6.586533509e-01 -6.586533509e-01 4.42 -6.377298123e-01 -6.377298123e-01 4.44 -6.177046635e-01 -6.177046635e-01 4.46 -5.985095467e-01 -5.985095467e-01 4.48 -5.800841611e-01 -5.800841611e-01 4.50 -5.623749362e-01 -5.623749362e-01 4.52 -5.453341239e-01 -5.453341239e-01 4.54 -5.289190923e-01 -5.289190923e-01 4.56 -5.130916920e-01 -5.130916920e-01 4.58 -4.978176923e-01 -4.978176923e-01 4.60 -4.830662834e-01 -4.830662834e-01 4.62 -4.688096398e-01 -4.688096398e-01 4.64 -4.550225378e-01 -4.550225378e-01 4.66 -4.416820228e-01 -4.416820228e-01 4.68 -4.287671191e-01 -4.287671191e-01 4.70 -4.162585776e-01 -4.162585776e-01 4.72 -4.041386571e-01 -4.041386571e-01 4.74 -3.923909336e-01 -3.923909336e-01 4.76 -3.810001348e-01 -3.810001348e-01 4.78 -3.699519955e-01 -3.699519955e-01 4.80 -3.592299549e-01 -3.592299549e-01 4.82 -3.488282972e-01 -3.488282972e-01 4.84 -3.387312720e-01 -3.387312720e-01 4.86 -3.289275499e-01 -3.289275499e-01 4.88 -3.194063137e-01 -3.194063137e-01 4.90 -3.101571940e-01 -3.101571940e-01 4.92 -3.011702107e-01 -3.011702107e-01 4.94 -2.924357222e-01 -2.924357222e-01 4.96 -2.839443799e-01 -2.839443799e-01 4.98 -2.756870888e-01 -2.756870888e-01 5.00 -2.676549731e-01 -2.676549731e-01 5.02 -2.598393477e-01 -2.598393477e-01 5.04 -2.522316947e-01 -2.522316947e-01 5.06 -2.448236473e-01 -2.448236473e-01 5.08 -2.376069793e-01 -2.376069793e-01 5.10 -2.305736043e-01 -2.305736043e-01 5.12 -2.237155836e-01 -2.237155836e-01 5.14 -2.170251447e-01 -2.170251447e-01 5.16 -2.104947137e-01 -2.104947137e-01 5.18 -2.041169611e-01 -2.041169611e-01 5.20 -1.978848634e-01 -1.978848634e-01 5.22 -1.917917818e-01 -1.917917818e-01 5.24 -1.858315568e-01 -1.858315568e-01 5.26 -1.799986186e-01 -1.799986186e-01 5.28 -1.742881088e-01 -1.742881088e-01 5.30 -1.686960088e-01 -1.686960088e-01 5.32 -1.632192656e-01 -1.632192656e-01 5.34 -1.578559044e-01 -1.578559044e-01 5.36 -1.526051146e-01 -1.526051146e-01 5.38 -1.474672932e-01 -1.474672932e-01 5.40 -1.424440321e-01 -1.424440321e-01 5.42 -1.375380364e-01 -1.375380364e-01 5.44 -1.327529653e-01 -1.327529653e-01 5.46 -1.280931985e-01 -1.280931985e-01 5.48 -1.235635334e-01 -1.235635334e-01 5.50 -1.191688353e-01 -1.191688353e-01 5.52 -1.149136648e-01 -1.149136648e-01 5.54 -1.108019159e-01 -1.108019159e-01 5.56 -1.068364934e-01 -1.068364934e-01 5.58 -1.030190605e-01 -1.030190605e-01 5.60 -9.934977157e-02 -9.934977157e-02 5.62 -9.582735461e-02 -9.582735461e-02 5.64 -9.244923617e-02 -9.244923617e-02 5.66 -8.921146143e-02 -8.921146143e-02 5.68 -8.610886731e-02 -8.610886731e-02 5.70 -8.313529558e-02 -8.313529558e-02 5.72 -8.028382289e-02 -8.028382289e-02 5.74 -7.754698823e-02 -7.754698823e-02 5.76 -7.491700308e-02 -7.491700308e-02 5.78 -7.238593472e-02 -7.238593472e-02 5.80 -6.994585782e-02 -6.994585782e-02 5.82 -6.758897364e-02 -6.758897364e-02 5.84 -6.530769896e-02 -6.530769896e-02 5.86 -6.309472895e-02 -6.309472895e-02 5.88 -6.094307907e-02 -6.094307907e-02 5.90 -5.884611167e-02 -5.884611167e-02 5.92 -5.679755257e-02 -5.679755257e-02 5.94 -5.479150270e-02 -5.479150270e-02 5.96 -5.282244922e-02 -5.282244922e-02 5.98 -5.088527970e-02 -5.088527970e-02 6.00 -4.897530097e-02 -4.897530097e-02