# 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 = Ag2PdTa # 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 3.362498432e+02 3.362498432e+02 1.30 3.119455435e+02 3.119455435e+02 1.32 2.894222305e+02 2.894222305e+02 1.34 2.685349063e+02 2.685349063e+02 1.36 2.491518709e+02 2.491518709e+02 1.38 2.311531744e+02 2.311531744e+02 1.40 2.144297594e+02 2.144297594e+02 1.42 1.988833653e+02 1.988833653e+02 1.44 1.844264949e+02 1.844264949e+02 1.46 1.709816269e+02 1.709816269e+02 1.48 1.584793270e+02 1.584793270e+02 1.50 1.468556034e+02 1.468556034e+02 1.52 1.360494509e+02 1.360494509e+02 1.54 1.260015696e+02 1.260015696e+02 1.56 1.166545369e+02 1.166545369e+02 1.58 1.079538633e+02 1.079538633e+02 1.60 9.984908960e+01 9.984908960e+01 1.62 9.229440390e+01 9.229440390e+01 1.64 8.524869763e+01 8.524869763e+01 1.66 7.867519981e+01 7.867519981e+01 1.68 7.254085745e+01 7.254085745e+01 1.70 6.681560632e+01 6.681560632e+01 1.72 6.147412017e+01 6.147412017e+01 1.74 5.649343460e+01 5.649343460e+01 1.76 5.184904914e+01 5.184904914e+01 1.78 4.752916840e+01 4.752916840e+01 1.80 4.351676045e+01 4.351676045e+01 1.82 3.979161767e+01 3.979161767e+01 1.84 3.633379934e+01 3.633379934e+01 1.86 3.312513331e+01 3.312513331e+01 1.88 3.014899655e+01 3.014899655e+01 1.90 2.739006852e+01 2.739006852e+01 1.92 2.483408914e+01 2.483408914e+01 1.94 2.246764344e+01 2.246764344e+01 1.96 2.027798912e+01 2.027798912e+01 1.98 1.825293822e+01 1.825293822e+01 2.00 1.638080057e+01 1.638080057e+01 2.02 1.465039330e+01 1.465039330e+01 2.04 1.305110987e+01 1.305110987e+01 2.06 1.157302088e+01 1.157302088e+01 2.08 1.020696343e+01 1.020696343e+01 2.10 8.944582564e+00 8.944582564e+00 2.12 7.778313223e+00 7.778313223e+00 2.14 6.701316394e+00 6.701316394e+00 2.16 5.707393436e+00 5.707393436e+00 2.18 4.790899098e+00 4.790899098e+00 2.20 3.946663472e+00 3.946663472e+00 2.22 3.169923779e+00 3.169923779e+00 2.24 2.456262210e+00 2.456262210e+00 2.26 1.801546432e+00 1.801546432e+00 2.28 1.201872879e+00 1.201872879e+00 2.30 6.535166010e-01 6.535166010e-01 2.32 1.528934417e-01 1.528934417e-01 2.34 -3.034599961e-01 -3.034599961e-01 2.36 -7.188421898e-01 -7.188421898e-01 2.38 -1.096349677e+00 -1.096349677e+00 2.40 -1.439217517e+00 -1.439217517e+00 2.42 -1.750459912e+00 -1.750459912e+00 2.44 -2.032810826e+00 -2.032810826e+00 2.46 -2.288724187e+00 -2.288724187e+00 2.48 -2.520381806e+00 -2.520381806e+00 2.50 -2.729501817e+00 -2.729501817e+00 2.52 -2.917477723e+00 -2.917477723e+00 2.54 -3.085669858e+00 -3.085669858e+00 2.56 -3.235397877e+00 -3.235397877e+00 2.58 -3.367931718e+00 -3.367931718e+00 2.60 -3.484490350e+00 -3.484490350e+00 2.62 -3.586241652e+00 -3.586241652e+00 2.64 -3.674297910e+00 -3.674297910e+00 2.66 -3.749705562e+00 -3.749705562e+00 2.68 -3.813432566e+00 -3.813432566e+00 2.70 -3.866358803e+00 -3.866358803e+00 2.72 -3.909273623e+00 -3.909273623e+00 2.74 -3.942988450e+00 -3.942988450e+00 2.76 -3.968404172e+00 -3.968404172e+00 2.78 -3.985939996e+00 -3.985939996e+00 2.80 -3.995971803e+00 -3.995971803e+00 2.82 -3.998872651e+00 -3.998872651e+00 2.84 -3.995016988e+00 -3.995016988e+00 2.86 -3.984783760e+00 -3.984783760e+00 2.88 -3.968558199e+00 -3.968558199e+00 2.90 -3.946737488e+00 -3.946737488e+00 2.92 -3.919763223e+00 -3.919763223e+00 2.94 -3.888087281e+00 -3.888087281e+00 2.96 -3.852144136e+00 -3.852144136e+00 2.98 -3.812345369e+00 -3.812345369e+00 3.00 -3.769074931e+00 -3.769074931e+00 3.02 -3.722763731e+00 -3.722763731e+00 3.04 -3.673838445e+00 -3.673838445e+00 3.06 -3.622427632e+00 -3.622427632e+00 3.08 -3.568650726e+00 -3.568650726e+00 3.10 -3.512629674e+00 -3.512629674e+00 3.12 -3.454487658e+00 -3.454487658e+00 3.14 -3.394348888e+00 -3.394348888e+00 3.16 -3.332339893e+00 -3.332339893e+00 3.18 -3.268592548e+00 -3.268592548e+00 3.20 -3.203252090e+00 -3.203252090e+00 3.22 -3.136488411e+00 -3.136488411e+00 3.24 -3.068489237e+00 -3.068489237e+00 3.26 -2.999461034e+00 -2.999461034e+00 3.28 -2.929629447e+00 -2.929629447e+00 3.30 -2.859236473e+00 -2.859236473e+00 3.32 -2.788534376e+00 -2.788534376e+00 3.34 -2.717776926e+00 -2.717776926e+00 3.36 -2.647209025e+00 -2.647209025e+00 3.38 -2.577056044e+00 -2.577056044e+00 3.40 -2.507514245e+00 -2.507514245e+00 3.42 -2.438743410e+00 -2.438743410e+00 3.44 -2.370862392e+00 -2.370862392e+00 3.46 -2.303947816e+00 -2.303947816e+00 3.48 -2.238035692e+00 -2.238035692e+00 3.50 -2.173125414e+00 -2.173125414e+00 3.52 -2.109185440e+00 -2.109185440e+00 3.54 -2.046159983e+00 -2.046159983e+00 3.56 -1.983976120e+00 -1.983976120e+00 3.58 -1.922550906e+00 -1.922550906e+00 3.60 -1.861798245e+00 -1.861798245e+00 3.62 -1.801635364e+00 -1.801635364e+00 3.64 -1.741988831e+00 -1.741988831e+00 3.66 -1.682800069e+00 -1.682800069e+00 3.68 -1.624030271e+00 -1.624030271e+00 3.70 -1.565664568e+00 -1.565664568e+00 3.72 -1.507715225e+00 -1.507715225e+00 3.74 -1.450223601e+00 -1.450223601e+00 3.76 -1.393260560e+00 -1.393260560e+00 3.78 -1.336925110e+00 -1.336925110e+00 3.80 -1.281341123e+00 -1.281341123e+00 3.82 -1.226652192e+00 -1.226652192e+00 3.84 -1.173014880e+00 -1.173014880e+00 3.86 -1.120590841e+00 -1.120590841e+00 3.88 -1.069538472e+00 -1.069538472e+00 3.90 -1.020004830e+00 -1.020004830e+00 3.92 -9.721185556e-01 -9.721185556e-01 3.94 -9.259844032e-01 -9.259844032e-01 3.96 -8.816797602e-01 -8.816797602e-01 3.98 -8.392533156e-01 -8.392533156e-01 4.00 -7.987257419e-01 -7.987257419e-01 4.02 -7.600920662e-01 -7.600920662e-01 4.04 -7.233252534e-01 -7.233252534e-01 4.06 -6.883804657e-01 -6.883804657e-01 4.08 -6.551994806e-01 -6.551994806e-01 4.10 -6.237148329e-01 -6.237148329e-01 4.12 -5.938533952e-01 -5.938533952e-01 4.14 -5.655392025e-01 -5.655392025e-01 4.16 -5.386955653e-01 -5.386955653e-01 4.18 -5.132465247e-01 -5.132465247e-01 4.20 -4.891178247e-01 -4.891178247e-01 4.22 -4.662375651e-01 -4.662375651e-01 4.24 -4.445366646e-01 -4.445366646e-01 4.26 -4.239492017e-01 -4.239492017e-01 4.28 -4.044126411e-01 -4.044126411e-01 4.30 -3.858679121e-01 -3.858679121e-01 4.32 -3.682592955e-01 -3.682592955e-01 4.34 -3.515340980e-01 -3.515340980e-01 4.36 -3.356421356e-01 -3.356421356e-01 4.38 -3.205350911e-01 -3.205350911e-01 4.40 -3.061658449e-01 -3.061658449e-01 4.42 -2.924878871e-01 -2.924878871e-01 4.44 -2.794549054e-01 -2.794549054e-01 4.46 -2.670206078e-01 -2.670206078e-01 4.48 -2.551388008e-01 -2.551388008e-01 4.50 -2.437637011e-01 -2.437637011e-01 4.52 -2.328504328e-01 -2.328504328e-01 4.54 -2.223556463e-01 -2.223556463e-01 4.56 -2.122381931e-01 -2.122381931e-01 4.58 -2.024597972e-01 -2.024597972e-01 4.60 -1.929856750e-01 -1.929856750e-01 4.62 -1.837850664e-01 -1.837850664e-01 4.64 -1.748316471e-01 -1.748316471e-01 4.66 -1.661038014e-01 -1.661038014e-01 4.68 -1.575847367e-01 -1.575847367e-01 4.70 -1.492624307e-01 -1.492624307e-01 4.72 -1.411294072e-01 -1.411294072e-01 4.74 -1.331823503e-01 -1.331823503e-01 4.76 -1.254215817e-01 -1.254215817e-01 4.78 -1.178504396e-01 -1.178504396e-01 4.80 -1.104746089e-01 -1.104746089e-01 4.82 -1.033014691e-01 -1.033014691e-01 4.84 -9.633949084e-02 -9.633949084e-02 4.86 -8.959775041e-02 -8.959775041e-02 4.88 -8.308556318e-02 -8.308556318e-02 4.90 -7.681223499e-02 -7.681223499e-02 4.92 -7.078690222e-02 -7.078690222e-02 4.94 -6.501820495e-02 -6.501820495e-02 4.96 -5.951432664e-02 -5.951432664e-02 4.98 -5.428346553e-02 -5.428346553e-02 5.00 -4.933289093e-02 -4.933289093e-02 5.02 -4.466864242e-02 -4.466864242e-02 5.04 -4.029519879e-02 -4.029519879e-02 5.06 -3.621512630e-02 -3.621512630e-02 5.08 -3.242874949e-02 -3.242874949e-02 5.10 -2.893390405e-02 -2.893390405e-02 5.12 -2.572580139e-02 -2.572580139e-02 5.14 -2.279702227e-02 -2.279702227e-02 5.16 -2.013766138e-02 -2.013766138e-02 5.18 -1.773559957e-02 -1.773559957e-02 5.20 -1.557675889e-02 -1.557675889e-02 5.22 -1.364558505e-02 -1.364558505e-02 5.24 -1.192595287e-02 -1.192595287e-02 5.26 -1.040117617e-02 -1.040117617e-02 5.28 -9.054426970e-03 -9.054426970e-03 5.30 -7.869117554e-03 -7.869117554e-03 5.32 -6.829211499e-03 -6.829211499e-03 5.34 -5.919461369e-03 -5.919461369e-03 5.36 -5.125576488e-03 -5.125576488e-03 5.38 -4.434328131e-03 -4.434328131e-03 5.40 -3.833601608e-03 -3.833601608e-03 5.42 -3.312405427e-03 -3.312405427e-03 5.44 -2.860847474e-03 -2.860847474e-03 5.46 -2.470087225e-03 -2.470087225e-03 5.48 -2.132271728e-03 -2.132271728e-03 5.50 -1.840461759e-03 -1.840461759e-03 5.52 -1.588553153e-03 -1.588553153e-03 5.54 -1.371197160e-03 -1.371197160e-03 5.56 -1.183722558e-03 -1.183722558e-03 5.58 -1.022061434e-03 -1.022061434e-03 5.60 -8.826798352e-04 -8.826798352e-04 5.62 -7.625139677e-04 -7.625139677e-04 5.64 -6.589122141e-04 -6.589122141e-04 5.66 -5.695829748e-04 -5.695829748e-04 5.68 -4.925481306e-04 -4.925481306e-04 5.70 -4.261018041e-04 -4.261018041e-04 5.72 -3.687740261e-04 -3.687740261e-04 5.74 -3.192988737e-04 -3.192988737e-04 5.76 -2.765866421e-04 -2.765866421e-04 5.78 -2.396996190e-04 -2.396996190e-04 5.80 -2.078310567e-04 -2.078310567e-04 5.82 -1.802869593e-04 -1.802869593e-04 5.84 -1.564703408e-04 -1.564703408e-04 5.86 -1.358676403e-04 -1.358676403e-04 5.88 -1.180370133e-04 -1.180370133e-04 5.90 -1.025982523e-04 -1.025982523e-04 5.92 -8.922411643e-05 -8.922411643e-05 5.94 -7.763287818e-05 -7.763287818e-05 5.96 -6.758192056e-05 -6.758192056e-05 5.98 -5.886223785e-05 -5.886223785e-05 6.00 -5.129371424e-05 -5.129371424e-05