# 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 = AuW2Zr # 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 4.593135510e+02 4.593135510e+02 1.30 4.259909416e+02 4.259909416e+02 1.32 3.951493077e+02 3.951493077e+02 1.34 3.665788639e+02 3.665788639e+02 1.36 3.400929961e+02 3.400929961e+02 1.38 3.155257140e+02 3.155257140e+02 1.40 2.927284374e+02 2.927284374e+02 1.42 2.715662687e+02 2.715662687e+02 1.44 2.519145952e+02 2.519145952e+02 1.46 2.336574406e+02 2.336574406e+02 1.48 2.166876219e+02 2.166876219e+02 1.50 2.009074627e+02 2.009074627e+02 1.52 1.862288349e+02 1.862288349e+02 1.54 1.725724275e+02 1.725724275e+02 1.56 1.598664280e+02 1.598664280e+02 1.58 1.480452540e+02 1.480452540e+02 1.60 1.370483985e+02 1.370483985e+02 1.62 1.268193798e+02 1.268193798e+02 1.64 1.173047483e+02 1.173047483e+02 1.66 1.084533812e+02 1.084533812e+02 1.68 1.002162380e+02 1.002162380e+02 1.70 9.254659925e+01 9.254659925e+01 1.72 8.540073787e+01 8.540073787e+01 1.74 7.873872335e+01 7.873872335e+01 1.76 7.252502962e+01 7.252502962e+01 1.78 6.672870832e+01 6.672870832e+01 1.80 6.132299946e+01 6.132299946e+01 1.82 5.628451174e+01 5.628451174e+01 1.84 5.159209281e+01 5.159209281e+01 1.86 4.722580825e+01 4.722580825e+01 1.88 4.316622177e+01 4.316622177e+01 1.90 3.939414217e+01 3.939414217e+01 1.92 3.589064172e+01 3.589064172e+01 1.94 3.263727725e+01 3.263727725e+01 1.96 2.961625707e+01 2.961625707e+01 1.98 2.681157604e+01 2.681157604e+01 2.00 2.420815963e+01 2.420815963e+01 2.02 2.179703225e+01 2.179703225e+01 2.04 1.956736929e+01 1.956736929e+01 2.06 1.750478622e+01 1.750478622e+01 2.08 1.559581130e+01 1.559581130e+01 2.10 1.382777792e+01 1.382777792e+01 2.12 1.218884199e+01 1.218884199e+01 2.14 1.066805282e+01 1.066805282e+01 2.16 9.255471926e+00 9.255471926e+00 2.18 7.942249670e+00 7.942249670e+00 2.20 6.720628184e+00 6.720628184e+00 2.22 5.583848434e+00 5.583848434e+00 2.24 4.526010635e+00 4.526010635e+00 2.26 3.541919166e+00 3.541919166e+00 2.28 2.626952929e+00 2.626952929e+00 2.30 1.776937853e+00 1.776937853e+00 2.32 9.880490488e-01 9.880490488e-01 2.34 2.567558477e-01 2.567558477e-01 2.36 -4.202525310e-01 -4.202525310e-01 2.38 -1.046100937e+00 -1.046100937e+00 2.40 -1.623752232e+00 -1.623752232e+00 2.42 -2.156026131e+00 -2.156026131e+00 2.44 -2.645609164e+00 -2.645609164e+00 2.46 -3.095072969e+00 -3.095072969e+00 2.48 -3.506887926e+00 -3.506887926e+00 2.50 -3.883431029e+00 -3.883431029e+00 2.52 -4.226981320e+00 -4.226981320e+00 2.54 -4.539702436e+00 -4.539702436e+00 2.56 -4.823619061e+00 -4.823619061e+00 2.58 -5.080597680e+00 -5.080597680e+00 2.60 -5.312339440e+00 -5.312339440e+00 2.62 -5.520384181e+00 -5.520384181e+00 2.64 -5.706137205e+00 -5.706137205e+00 2.66 -5.870817132e+00 -5.870817132e+00 2.68 -6.015496897e+00 -6.015496897e+00 2.70 -6.141425626e+00 -6.141425626e+00 2.72 -6.249795327e+00 -6.249795327e+00 2.74 -6.341742509e+00 -6.341742509e+00 2.76 -6.418362339e+00 -6.418362339e+00 2.78 -6.480717969e+00 -6.480717969e+00 2.80 -6.529903648e+00 -6.529903648e+00 2.82 -6.566849255e+00 -6.566849255e+00 2.84 -6.591976310e+00 -6.591976310e+00 2.86 -6.605468936e+00 -6.605468936e+00 2.88 -6.607594686e+00 -6.607594686e+00 2.90 -6.598703865e+00 -6.598703865e+00 2.92 -6.579227475e+00 -6.579227475e+00 2.94 -6.549676251e+00 -6.549676251e+00 2.96 -6.510579766e+00 -6.510579766e+00 2.98 -6.462427360e+00 -6.462427360e+00 3.00 -6.405782086e+00 -6.405782086e+00 3.02 -6.341274182e+00 -6.341274182e+00 3.04 -6.269570261e+00 -6.269570261e+00 3.06 -6.191344399e+00 -6.191344399e+00 3.08 -6.107241628e+00 -6.107241628e+00 3.10 -6.017872200e+00 -6.017872200e+00 3.12 -5.923826710e+00 -5.923826710e+00 3.14 -5.825472751e+00 -5.825472751e+00 3.16 -5.723073927e+00 -5.723073927e+00 3.18 -5.616835717e+00 -5.616835717e+00 3.20 -5.506912640e+00 -5.506912640e+00 3.22 -5.393424292e+00 -5.393424292e+00 3.24 -5.276473948e+00 -5.276473948e+00 3.26 -5.156159955e+00 -5.156159955e+00 3.28 -5.032593096e+00 -5.032593096e+00 3.30 -4.905922720e+00 -4.905922720e+00 3.32 -4.776348960e+00 -4.776348960e+00 3.34 -4.644130350e+00 -4.644130350e+00 3.36 -4.509588473e+00 -4.509588473e+00 3.38 -4.373110843e+00 -4.373110843e+00 3.40 -4.235151674e+00 -4.235151674e+00 3.42 -4.096235651e+00 -4.096235651e+00 3.44 -3.956948261e+00 -3.956948261e+00 3.46 -3.817931171e+00 -3.817931171e+00 3.48 -3.679865496e+00 -3.679865496e+00 3.50 -3.543449755e+00 -3.543449755e+00 3.52 -3.409373075e+00 -3.409373075e+00 3.54 -3.278286528e+00 -3.278286528e+00 3.56 -3.150775923e+00 -3.150775923e+00 3.58 -3.027339141e+00 -3.027339141e+00 3.60 -2.908370256e+00 -2.908370256e+00 3.62 -2.794151533e+00 -2.794151533e+00 3.64 -2.684853296e+00 -2.684853296e+00 3.66 -2.580540659e+00 -2.580540659e+00 3.68 -2.481185569e+00 -2.481185569e+00 3.70 -2.386682318e+00 -2.386682318e+00 3.72 -2.296864759e+00 -2.296864759e+00 3.74 -2.211523694e+00 -2.211523694e+00 3.76 -2.130423226e+00 -2.130423226e+00 3.78 -2.053315213e+00 -2.053315213e+00 3.80 -1.979951230e+00 -1.979951230e+00 3.82 -1.910091683e+00 -1.910091683e+00 3.84 -1.843511897e+00 -1.843511897e+00 3.86 -1.780005235e+00 -1.780005235e+00 3.88 -1.719383529e+00 -1.719383529e+00 3.90 -1.661475366e+00 -1.661475366e+00 3.92 -1.606121540e+00 -1.606121540e+00 3.94 -1.553177755e+00 -1.553177755e+00 3.96 -1.502501572e+00 -1.502501572e+00 3.98 -1.453957135e+00 -1.453957135e+00 4.00 -1.407412241e+00 -1.407412241e+00 4.02 -1.362738379e+00 -1.362738379e+00 4.04 -1.319811567e+00 -1.319811567e+00 4.06 -1.278513596e+00 -1.278513596e+00 4.08 -1.238733333e+00 -1.238733333e+00 4.10 -1.200362225e+00 -1.200362225e+00 4.12 -1.163318627e+00 -1.163318627e+00 4.14 -1.127511104e+00 -1.127511104e+00 4.16 -1.092864727e+00 -1.092864727e+00 4.18 -1.059313962e+00 -1.059313962e+00 4.20 -1.026802303e+00 -1.026802303e+00 4.22 -9.952817195e-01 -9.952817195e-01 4.24 -9.647119459e-01 -9.647119459e-01 4.26 -9.350596043e-01 -9.350596043e-01 4.28 -9.062971860e-01 -9.062971860e-01 4.30 -8.784019002e-01 -8.784019002e-01 4.32 -8.513544310e-01 -8.513544310e-01 4.34 -8.251376634e-01 -8.251376634e-01 4.36 -7.997354554e-01 -7.997354554e-01 4.38 -7.751315413e-01 -7.751315413e-01 4.40 -7.513086430e-01 -7.513086430e-01 4.42 -7.282478429e-01 -7.282478429e-01 4.44 -7.059282431e-01 -7.059282431e-01 4.46 -6.843268953e-01 -6.843268953e-01 4.48 -6.634188981e-01 -6.634188981e-01 4.50 -6.431776426e-01 -6.431776426e-01 4.52 -6.235757918e-01 -6.235757918e-01 4.54 -6.045853034e-01 -6.045853034e-01 4.56 -5.861778692e-01 -5.861778692e-01 4.58 -5.683253626e-01 -5.683253626e-01 4.60 -5.510002128e-01 -5.510002128e-01 4.62 -5.341757042e-01 -5.341757042e-01 4.64 -5.178262083e-01 -5.178262083e-01 4.66 -5.019273623e-01 -5.019273623e-01 4.68 -4.864562097e-01 -4.864562097e-01 4.70 -4.713913191e-01 -4.713913191e-01 4.72 -4.567128946e-01 -4.567128946e-01 4.74 -4.424028858e-01 -4.424028858e-01 4.76 -4.284451054e-01 -4.284451054e-01 4.78 -4.148253496e-01 -4.148253496e-01 4.80 -4.015283430e-01 -4.015283430e-01 4.82 -3.885510997e-01 -3.885510997e-01 4.84 -3.758822206e-01 -3.758822206e-01 4.86 -3.635164705e-01 -3.635164705e-01 4.88 -3.514509115e-01 -3.514509115e-01 4.90 -3.396847837e-01 -3.396847837e-01 4.92 -3.282192835e-01 -3.282192835e-01 4.94 -3.170572306e-01 -3.170572306e-01 4.96 -3.062026311e-01 -3.062026311e-01 4.98 -2.956601503e-01 -2.956601503e-01 5.00 -2.854345284e-01 -2.854345284e-01 5.02 -2.755299773e-01 -2.755299773e-01 5.04 -2.659496059e-01 -2.659496059e-01 5.06 -2.566949205e-01 -2.566949205e-01 5.08 -2.477654381e-01 -2.477654381e-01 5.10 -2.391584428e-01 -2.391584428e-01 5.12 -2.308688962e-01 -2.308688962e-01 5.14 -2.228894995e-01 -2.228894995e-01 5.16 -2.152108910e-01 -2.152108910e-01 5.18 -2.078219515e-01 -2.078219515e-01 5.20 -2.007101868e-01 -2.007101868e-01 5.22 -1.938621543e-01 -1.938621543e-01 5.24 -1.872639037e-01 -1.872639037e-01 5.26 -1.809014075e-01 -1.809014075e-01 5.28 -1.747609613e-01 -1.747609613e-01 5.30 -1.688295407e-01 -1.688295407e-01 5.32 -1.630951037e-01 -1.630951037e-01 5.34 -1.575468324e-01 -1.575468324e-01 5.36 -1.521753067e-01 -1.521753067e-01 5.38 -1.469726067e-01 -1.469726067e-01 5.40 -1.419323376e-01 -1.419323376e-01 5.42 -1.370495776e-01 -1.370495776e-01 5.44 -1.323207475e-01 -1.323207475e-01 5.46 -1.277434093e-01 -1.277434093e-01 5.48 -1.233160043e-01 -1.233160043e-01 5.50 -1.190375498e-01 -1.190375498e-01 5.52 -1.149073158e-01 -1.149073158e-01 5.54 -1.109245084e-01 -1.109245084e-01 5.56 -1.070879841e-01 -1.070879841e-01 5.58 -1.033960175e-01 -1.033960175e-01 5.60 -9.984602997e-02 -9.984602997e-02 5.62 -9.643466049e-02 -9.643466049e-02 5.64 -9.315785081e-02 -9.315785081e-02 5.66 -9.001070054e-02 -9.001070054e-02 5.68 -8.698756989e-02 -8.698756989e-02 5.70 -8.408221553e-02 -8.408221553e-02 5.72 -8.128794175e-02 -8.128794175e-02 5.74 -7.859775210e-02 -7.859775210e-02 5.76 -7.600449047e-02 -7.600449047e-02 5.78 -7.350096399e-02 -7.350096399e-02 5.80 -7.108004439e-02 -7.108004439e-02 5.82 -6.873474700e-02 -6.873474700e-02 5.84 -6.645828905e-02 -6.645828905e-02 5.86 -6.424413044e-02 -6.424413044e-02 5.88 -6.208600085e-02 -6.208600085e-02 5.90 -5.997791747e-02 -5.997791747e-02 5.92 -5.791419744e-02 -5.791419744e-02 5.94 -5.588946886e-02 -5.588946886e-02 5.96 -5.389868392e-02 -5.389868392e-02 5.98 -5.193713676e-02 -5.193713676e-02 6.00 -5.000048857e-02 -5.000048857e-02