# 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 = TaWZr2 # 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 4.304628500e+02 4.304628500e+02 1.30 3.997748876e+02 3.997748876e+02 1.32 3.713395291e+02 3.713395291e+02 1.34 3.449776166e+02 3.449776166e+02 1.36 3.205250072e+02 3.205250072e+02 1.38 2.978312312e+02 2.978312312e+02 1.40 2.767584742e+02 2.767584742e+02 1.42 2.571801284e+02 2.571801284e+02 1.44 2.389792329e+02 2.389792329e+02 1.46 2.220475343e+02 2.220475343e+02 1.48 2.062852765e+02 2.062852765e+02 1.50 1.916012079e+02 1.916012079e+02 1.52 1.779125675e+02 1.779125675e+02 1.54 1.651449649e+02 1.651449649e+02 1.56 1.532321696e+02 1.532321696e+02 1.58 1.421156175e+02 1.421156175e+02 1.60 1.317433389e+02 1.317433389e+02 1.62 1.220683586e+02 1.220683586e+02 1.64 1.130470973e+02 1.130470973e+02 1.66 1.046382280e+02 1.046382280e+02 1.68 9.680216382e+01 9.680216382e+01 1.70 8.950110907e+01 8.950110907e+01 1.72 8.269923344e+01 8.269923344e+01 1.74 7.636280207e+01 7.636280207e+01 1.76 7.046014755e+01 7.046014755e+01 1.78 6.496157106e+01 6.496157106e+01 1.80 5.983916961e+01 5.983916961e+01 1.82 5.506669213e+01 5.506669213e+01 1.84 5.061937177e+01 5.061937177e+01 1.86 4.647397203e+01 4.647397203e+01 1.88 4.260889862e+01 4.260889862e+01 1.90 3.900431308e+01 3.900431308e+01 1.92 3.564209779e+01 3.564209779e+01 1.94 3.250568838e+01 3.250568838e+01 1.96 2.957981648e+01 2.957981648e+01 1.98 2.685031543e+01 2.685031543e+01 2.00 2.430398665e+01 2.430398665e+01 2.02 2.192848822e+01 2.192848822e+01 2.04 1.971223482e+01 1.971223482e+01 2.06 1.764455043e+01 1.764455043e+01 2.08 1.571842797e+01 1.571842797e+01 2.10 1.392595845e+01 1.392595845e+01 2.12 1.225757286e+01 1.225757286e+01 2.14 1.070431490e+01 1.070431490e+01 2.16 9.257927462e+00 9.257927462e+00 2.18 7.910898492e+00 7.910898492e+00 2.20 6.656460179e+00 6.656460179e+00 2.22 5.488506603e+00 5.488506603e+00 2.24 4.401494923e+00 4.401494923e+00 2.26 3.390354338e+00 3.390354338e+00 2.28 2.450401794e+00 2.450401794e+00 2.30 1.577311913e+00 1.577311913e+00 2.32 7.670321126e-01 7.670321126e-01 2.34 1.576874094e-02 1.576874094e-02 2.36 -6.800798495e-01 -6.800798495e-01 2.38 -1.323948797e+00 -1.323948797e+00 2.40 -1.919124699e+00 -1.919124699e+00 2.42 -2.468759797e+00 -2.468759797e+00 2.44 -2.975866184e+00 -2.975866184e+00 2.46 -3.443317612e+00 -3.443317612e+00 2.48 -3.873837042e+00 -3.873837042e+00 2.50 -4.269980543e+00 -4.269980543e+00 2.52 -4.634119443e+00 -4.634119443e+00 2.54 -4.968425098e+00 -4.968425098e+00 2.56 -5.274860596e+00 -5.274860596e+00 2.58 -5.555183445e+00 -5.555183445e+00 2.60 -5.810961679e+00 -5.810961679e+00 2.62 -6.043598089e+00 -6.043598089e+00 2.64 -6.254380299e+00 -6.254380299e+00 2.66 -6.444488452e+00 -6.444488452e+00 2.68 -6.615041274e+00 -6.615041274e+00 2.70 -6.767109951e+00 -6.767109951e+00 2.72 -6.901728698e+00 -6.901728698e+00 2.74 -7.019897971e+00 -7.019897971e+00 2.76 -7.122582153e+00 -7.122582153e+00 2.78 -7.210701820e+00 -7.210701820e+00 2.80 -7.285138093e+00 -7.285138093e+00 2.82 -7.346713094e+00 -7.346713094e+00 2.84 -7.396155019e+00 -7.396155019e+00 2.86 -7.434125399e+00 -7.434125399e+00 2.88 -7.461338337e+00 -7.461338337e+00 2.90 -7.478593642e+00 -7.478593642e+00 2.92 -7.486663544e+00 -7.486663544e+00 2.94 -7.486385466e+00 -7.486385466e+00 2.96 -7.478393537e+00 -7.478393537e+00 2.98 -7.463254682e+00 -7.463254682e+00 3.00 -7.441519972e+00 -7.441519972e+00 3.02 -7.413618856e+00 -7.413618856e+00 3.04 -7.379612423e+00 -7.379612423e+00 3.06 -7.339507336e+00 -7.339507336e+00 3.08 -7.293352850e+00 -7.293352850e+00 3.10 -7.241211082e+00 -7.241211082e+00 3.12 -7.182954423e+00 -7.182954423e+00 3.14 -7.118441767e+00 -7.118441767e+00 3.16 -7.047587563e+00 -7.047587563e+00 3.18 -6.970377624e+00 -6.970377624e+00 3.20 -6.886861868e+00 -6.886861868e+00 3.22 -6.797155928e+00 -6.797155928e+00 3.24 -6.701444987e+00 -6.701444987e+00 3.26 -6.599988133e+00 -6.599988133e+00 3.28 -6.493120745e+00 -6.493120745e+00 3.30 -6.381252072e+00 -6.381252072e+00 3.32 -6.264856014e+00 -6.264856014e+00 3.34 -6.144454955e+00 -6.144454955e+00 3.36 -6.020598940e+00 -6.020598940e+00 3.38 -5.893844073e+00 -5.893844073e+00 3.40 -5.764732802e+00 -5.764732802e+00 3.42 -5.633786855e+00 -5.633786855e+00 3.44 -5.501491564e+00 -5.501491564e+00 3.46 -5.368299792e+00 -5.368299792e+00 3.48 -5.234629974e+00 -5.234629974e+00 3.50 -5.100865974e+00 -5.100865974e+00 3.52 -4.967356038e+00 -4.967356038e+00 3.54 -4.834410823e+00 -4.834410823e+00 3.56 -4.702301184e+00 -4.702301184e+00 3.58 -4.571256714e+00 -4.571256714e+00 3.60 -4.441465966e+00 -4.441465966e+00 3.62 -4.313078949e+00 -4.313078949e+00 3.64 -4.186212106e+00 -4.186212106e+00 3.66 -4.060955540e+00 -4.060955540e+00 3.68 -3.937381959e+00 -3.937381959e+00 3.70 -3.815556563e+00 -3.815556563e+00 3.72 -3.695547032e+00 -3.695547032e+00 3.74 -3.577432709e+00 -3.577432709e+00 3.76 -3.461312160e+00 -3.461312160e+00 3.78 -3.347308329e+00 -3.347308329e+00 3.80 -3.235570668e+00 -3.235570668e+00 3.82 -3.126273763e+00 -3.126273763e+00 3.84 -3.019612249e+00 -3.019612249e+00 3.86 -2.915792179e+00 -2.915792179e+00 3.88 -2.815019483e+00 -2.815019483e+00 3.90 -2.717486711e+00 -2.717486711e+00 3.92 -2.623356106e+00 -2.623356106e+00 3.94 -2.532762756e+00 -2.532762756e+00 3.96 -2.445782657e+00 -2.445782657e+00 3.98 -2.362445034e+00 -2.362445034e+00 4.00 -2.282728205e+00 -2.282728205e+00 4.02 -2.206563784e+00 -2.206563784e+00 4.04 -2.133843783e+00 -2.133843783e+00 4.06 -2.064429331e+00 -2.064429331e+00 4.08 -1.998159798e+00 -1.998159798e+00 4.10 -1.934851220e+00 -1.934851220e+00 4.12 -1.874346477e+00 -1.874346477e+00 4.14 -1.816454035e+00 -1.816454035e+00 4.16 -1.760999971e+00 -1.760999971e+00 4.18 -1.707818628e+00 -1.707818628e+00 4.20 -1.656754698e+00 -1.656754698e+00 4.22 -1.607664363e+00 -1.607664363e+00 4.24 -1.560415702e+00 -1.560415702e+00 4.26 -1.514888565e+00 -1.514888565e+00 4.28 -1.470974078e+00 -1.470974078e+00 4.30 -1.428573920e+00 -1.428573920e+00 4.32 -1.387599459e+00 -1.387599459e+00 4.34 -1.347970849e+00 -1.347970849e+00 4.36 -1.309616116e+00 -1.309616116e+00 4.38 -1.272470291e+00 -1.272470291e+00 4.40 -1.236474592e+00 -1.236474592e+00 4.42 -1.201575688e+00 -1.201575688e+00 4.44 -1.167725024e+00 -1.167725024e+00 4.46 -1.134878236e+00 -1.134878236e+00 4.48 -1.102994622e+00 -1.102994622e+00 4.50 -1.072036689e+00 -1.072036689e+00 4.52 -1.041969750e+00 -1.041969750e+00 4.54 -1.012761580e+00 -1.012761580e+00 4.56 -9.843821139e-01 -9.843821139e-01 4.58 -9.568031879e-01 -9.568031879e-01 4.60 -9.299983112e-01 -9.299983112e-01 4.62 -9.039424715e-01 -9.039424715e-01 4.64 -8.786119653e-01 -8.786119653e-01 4.66 -8.539842500e-01 -8.539842500e-01 4.68 -8.300378146e-01 -8.300378146e-01 4.70 -8.067520679e-01 -8.067520679e-01 4.72 -7.841072384e-01 -7.841072384e-01 4.74 -7.620842881e-01 -7.620842881e-01 4.76 -7.406648339e-01 -7.406648339e-01 4.78 -7.198310793e-01 -7.198310793e-01 4.80 -6.995595438e-01 -6.995595438e-01 4.82 -6.798468918e-01 -6.798468918e-01 4.84 -6.606692904e-01 -6.606692904e-01 4.86 -6.420107526e-01 -6.420107526e-01 4.88 -6.238556115e-01 -6.238556115e-01 4.90 -6.061884811e-01 -6.061884811e-01 4.92 -5.889942194e-01 -5.889942194e-01 4.94 -5.722578955e-01 -5.722578955e-01 4.96 -5.559647578e-01 -5.559647578e-01 4.98 -5.401002072e-01 -5.401002072e-01 5.00 -5.246497729e-01 -5.246497729e-01 5.02 -5.095990935e-01 -5.095990935e-01 5.04 -4.949339045e-01 -4.949339045e-01 5.06 -4.806400323e-01 -4.806400323e-01 5.08 -4.667033993e-01 -4.667033993e-01 5.10 -4.531100405e-01 -4.531100405e-01 5.12 -4.398461347e-01 -4.398461347e-01 5.14 -4.268980543e-01 -4.268980543e-01 5.16 -4.142524369e-01 -4.142524369e-01 5.18 -4.018962805e-01 -4.018962805e-01 5.20 -3.898170677e-01 -3.898170677e-01 5.22 -3.780029175e-01 -3.780029175e-01 5.24 -3.664427683e-01 -3.664427683e-01 5.26 -3.551265867e-01 -3.551265867e-01 5.28 -3.440455978e-01 -3.440455978e-01 5.30 -3.331925260e-01 -3.331925260e-01 5.32 -3.225618320e-01 -3.225618320e-01 5.34 -3.121499239e-01 -3.121499239e-01 5.36 -3.019553193e-01 -3.019553193e-01 5.38 -2.919787292e-01 -2.919787292e-01 5.40 -2.822230379e-01 -2.822230379e-01 5.42 -2.726931554e-01 -2.726931554e-01 5.44 -2.633957285e-01 -2.633957285e-01 5.46 -2.543387122e-01 -2.543387122e-01 5.48 -2.455308150e-01 -2.455308150e-01 5.50 -2.369808566e-01 -2.369808566e-01 5.52 -2.286970835e-01 -2.286970835e-01 5.54 -2.206865021e-01 -2.206865021e-01 5.56 -2.129542870e-01 -2.129542870e-01 5.58 -2.055033144e-01 -2.055033144e-01 5.60 -1.983336274e-01 -1.983336274e-01 5.62 -1.914426519e-01 -1.914426519e-01 5.64 -1.848254649e-01 -1.848254649e-01 5.66 -1.784745708e-01 -1.784745708e-01 5.68 -1.723802221e-01 -1.723802221e-01 5.70 -1.665308139e-01 -1.665308139e-01 5.72 -1.609133099e-01 -1.609133099e-01 5.74 -1.555136622e-01 -1.555136622e-01 5.76 -1.503172003e-01 -1.503172003e-01 5.78 -1.453089691e-01 -1.453089691e-01 5.80 -1.404740095e-01 -1.404740095e-01 5.82 -1.357975781e-01 -1.357975781e-01 5.84 -1.312653125e-01 -1.312653125e-01 5.86 -1.268633480e-01 -1.268633480e-01 5.88 -1.225783965e-01 -1.225783965e-01 5.90 -1.183977981e-01 -1.183977981e-01 5.92 -1.143095544e-01 -1.143095544e-01 5.94 -1.103023545e-01 -1.103023545e-01 5.96 -1.063656002e-01 -1.063656002e-01 5.98 -1.024894386e-01 -1.024894386e-01 6.00 -9.866480721e-02 -9.866480721e-02