# 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 = NiPd2W # 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 3.169320602e+02 3.169320602e+02 1.30 2.933642240e+02 2.933642240e+02 1.32 2.715446297e+02 2.715446297e+02 1.34 2.513343249e+02 2.513343249e+02 1.36 2.326091655e+02 2.326091655e+02 1.38 2.152560659e+02 2.152560659e+02 1.40 1.991705797e+02 1.991705797e+02 1.42 1.842555000e+02 1.842555000e+02 1.44 1.704203952e+02 1.704203952e+02 1.46 1.575817792e+02 1.575817792e+02 1.48 1.456631314e+02 1.456631314e+02 1.50 1.345943635e+02 1.345943635e+02 1.52 1.243109392e+02 1.243109392e+02 1.54 1.147530162e+02 1.147530162e+02 1.56 1.058648470e+02 1.058648470e+02 1.58 9.759448198e+01 9.759448198e+01 1.60 8.989373827e+01 8.989373827e+01 1.62 8.271837086e+01 8.271837086e+01 1.64 7.602824253e+01 7.602824253e+01 1.66 6.978721438e+01 6.978721438e+01 1.68 6.396268914e+01 6.396268914e+01 1.70 5.852500876e+01 5.852500876e+01 1.72 5.344736104e+01 5.344736104e+01 1.74 4.870523762e+01 4.870523762e+01 1.76 4.427611145e+01 4.427611145e+01 1.78 4.014068362e+01 4.014068362e+01 1.80 3.630831751e+01 3.630831751e+01 1.82 3.277513120e+01 3.277513120e+01 1.84 2.952254679e+01 2.952254679e+01 1.86 2.653236919e+01 2.653236919e+01 1.88 2.378639118e+01 2.378639118e+01 1.90 2.126638700e+01 2.126638700e+01 1.92 1.895442923e+01 1.895442923e+01 1.94 1.683335586e+01 1.683335586e+01 1.96 1.488718062e+01 1.488718062e+01 1.98 1.310130958e+01 1.310130958e+01 2.00 1.146254619e+01 1.146254619e+01 2.02 9.958951557e+00 9.958951557e+00 2.04 8.579646415e+00 8.579646415e+00 2.06 7.314619723e+00 7.314619723e+00 2.08 6.154580379e+00 6.154580379e+00 2.10 5.090867478e+00 5.090867478e+00 2.12 4.115419241e+00 4.115419241e+00 2.14 3.220786851e+00 3.220786851e+00 2.16 2.400168312e+00 2.400168312e+00 2.18 1.647434406e+00 1.647434406e+00 2.20 9.571264569e-01 9.571264569e-01 2.22 3.244198072e-01 3.244198072e-01 2.24 -2.549399190e-01 -2.549399190e-01 2.26 -7.847149318e-01 -7.847149318e-01 2.28 -1.268212569e+00 -1.268212569e+00 2.30 -1.708399016e+00 -1.708399016e+00 2.32 -2.108174296e+00 -2.108174296e+00 2.34 -2.470230638e+00 -2.470230638e+00 2.36 -2.797108841e+00 -2.797108841e+00 2.38 -3.091245060e+00 -3.091245060e+00 2.40 -3.354995134e+00 -3.354995134e+00 2.42 -3.590620577e+00 -3.590620577e+00 2.44 -3.800068246e+00 -3.800068246e+00 2.46 -3.985117795e+00 -3.985117795e+00 2.48 -4.147548037e+00 -4.147548037e+00 2.50 -4.289105872e+00 -4.289105872e+00 2.52 -4.411467297e+00 -4.411467297e+00 2.54 -4.516196776e+00 -4.516196776e+00 2.56 -4.604713946e+00 -4.604713946e+00 2.58 -4.678276926e+00 -4.678276926e+00 2.60 -4.737986383e+00 -4.737986383e+00 2.62 -4.784804919e+00 -4.784804919e+00 2.64 -4.819587046e+00 -4.819587046e+00 2.66 -4.843112813e+00 -4.843112813e+00 2.68 -4.856113507e+00 -4.856113507e+00 2.70 -4.859290042e+00 -4.859290042e+00 2.72 -4.853323456e+00 -4.853323456e+00 2.74 -4.838869428e+00 -4.838869428e+00 2.76 -4.816659373e+00 -4.816659373e+00 2.78 -4.787585543e+00 -4.787585543e+00 2.80 -4.751741374e+00 -4.751741374e+00 2.82 -4.709237198e+00 -4.709237198e+00 2.84 -4.660243214e+00 -4.660243214e+00 2.86 -4.604986205e+00 -4.604986205e+00 2.88 -4.543750573e+00 -4.543750573e+00 2.90 -4.476880416e+00 -4.476880416e+00 2.92 -4.404790159e+00 -4.404790159e+00 2.94 -4.328026314e+00 -4.328026314e+00 2.96 -4.247196623e+00 -4.247196623e+00 2.98 -4.162911473e+00 -4.162911473e+00 3.00 -4.075768284e+00 -4.075768284e+00 3.02 -3.986336117e+00 -3.986336117e+00 3.04 -3.895142231e+00 -3.895142231e+00 3.06 -3.802661484e+00 -3.802661484e+00 3.08 -3.709308763e+00 -3.709308763e+00 3.10 -3.615434475e+00 -3.615434475e+00 3.12 -3.521323106e+00 -3.521323106e+00 3.14 -3.427194912e+00 -3.427194912e+00 3.16 -3.333210658e+00 -3.333210658e+00 3.18 -3.239479104e+00 -3.239479104e+00 3.20 -3.146066690e+00 -3.146066690e+00 3.22 -3.053008724e+00 -3.053008724e+00 3.24 -2.960321326e+00 -2.960321326e+00 3.26 -2.868013440e+00 -2.868013440e+00 3.28 -2.776098318e+00 -2.776098318e+00 3.30 -2.684603947e+00 -2.684603947e+00 3.32 -2.593581942e+00 -2.593581942e+00 3.34 -2.503114462e+00 -2.503114462e+00 3.36 -2.413318695e+00 -2.413318695e+00 3.38 -2.324348544e+00 -2.324348544e+00 3.40 -2.236393217e+00 -2.236393217e+00 3.42 -2.149672652e+00 -2.149672652e+00 3.44 -2.064429927e+00 -2.064429927e+00 3.46 -1.980921158e+00 -1.980921158e+00 3.48 -1.899403666e+00 -1.899403666e+00 3.50 -1.820123453e+00 -1.820123453e+00 3.52 -1.743303151e+00 -1.743303151e+00 3.54 -1.669131534e+00 -1.669131534e+00 3.56 -1.597755521e+00 -1.597755521e+00 3.58 -1.529275235e+00 -1.529275235e+00 3.60 -1.463742315e+00 -1.463742315e+00 3.62 -1.401161293e+00 -1.401161293e+00 3.64 -1.341493569e+00 -1.341493569e+00 3.66 -1.284663340e+00 -1.284663340e+00 3.68 -1.230564753e+00 -1.230564753e+00 3.70 -1.179069638e+00 -1.179069638e+00 3.72 -1.130035227e+00 -1.130035227e+00 3.74 -1.083311409e+00 -1.083311409e+00 3.76 -1.038747203e+00 -1.038747203e+00 3.78 -9.961961876e-01 -9.961961876e-01 3.80 -9.555207273e-01 -9.555207273e-01 3.82 -9.165948748e-01 -9.165948748e-01 3.84 -8.793059024e-01 -8.793059024e-01 3.86 -8.435545021e-01 -8.435545021e-01 3.88 -8.092538122e-01 -8.092538122e-01 3.90 -7.763275636e-01 -7.763275636e-01 3.92 -7.447077500e-01 -7.447077500e-01 3.94 -7.143322851e-01 -7.143322851e-01 3.96 -6.851430677e-01 -6.851430677e-01 3.98 -6.570847559e-01 -6.570847559e-01 4.00 -6.301043548e-01 -6.301043548e-01 4.02 -6.041515217e-01 -6.041515217e-01 4.04 -5.791793302e-01 -5.791793302e-01 4.06 -5.551451457e-01 -5.551451457e-01 4.08 -5.320112679e-01 -5.320112679e-01 4.10 -5.097450701e-01 -5.097450701e-01 4.12 -4.883185049e-01 -4.883185049e-01 4.14 -4.677069792e-01 -4.677069792e-01 4.16 -4.478877678e-01 -4.478877678e-01 4.18 -4.288382102e-01 -4.288382102e-01 4.20 -4.105339921e-01 -4.105339921e-01 4.22 -3.929477859e-01 -3.929477859e-01 4.24 -3.760484511e-01 -3.760484511e-01 4.26 -3.598008869e-01 -3.598008869e-01 4.28 -3.441665178e-01 -3.441665178e-01 4.30 -3.291043008e-01 -3.291043008e-01 4.32 -3.145720828e-01 -3.145720828e-01 4.34 -3.005281132e-01 -3.005281132e-01 4.36 -2.869325238e-01 -2.869325238e-01 4.38 -2.737486156e-01 -2.737486156e-01 4.40 -2.609438300e-01 -2.609438300e-01 4.42 -2.484903283e-01 -2.484903283e-01 4.44 -2.363651515e-01 -2.363651515e-01 4.46 -2.245499815e-01 -2.245499815e-01 4.48 -2.130305793e-01 -2.130305793e-01 4.50 -2.017960008e-01 -2.017960008e-01 4.52 -1.908377602e-01 -1.908377602e-01 4.54 -1.801490832e-01 -1.801490832e-01 4.56 -1.697243871e-01 -1.697243871e-01 4.58 -1.595590845e-01 -1.595590845e-01 4.60 -1.496497170e-01 -1.496497170e-01 4.62 -1.399944164e-01 -1.399944164e-01 4.64 -1.305935637e-01 -1.305935637e-01 4.66 -1.214503431e-01 -1.214503431e-01 4.68 -1.125719139e-01 -1.125719139e-01 4.70 -1.039694964e-01 -1.039694964e-01 4.72 -9.565826358e-02 -9.565826358e-02 4.74 -8.765691512e-02 -8.765691512e-02 4.76 -7.998678710e-02 -7.998678710e-02 4.78 -7.267056741e-02 -7.267056741e-02 4.80 -6.573074254e-02 -6.573074254e-02 4.82 -5.918794489e-02 -5.918794489e-02 4.84 -5.305937698e-02 -5.305937698e-02 4.86 -4.735748647e-02 -4.735748647e-02 4.88 -4.208901485e-02 -4.208901485e-02 4.90 -3.725449488e-02 -3.725449488e-02 4.92 -3.284820838e-02 -3.284820838e-02 4.94 -2.885856187e-02 -2.885856187e-02 4.96 -2.526879281e-02 -2.526879281e-02 4.98 -2.205790462e-02 -2.205790462e-02 5.00 -1.920171775e-02 -1.920171775e-02 5.02 -1.667393512e-02 -1.667393512e-02 5.04 -1.444686323e-02 -1.444686323e-02 5.06 -1.249275481e-02 -1.249275481e-02 5.08 -1.078477657e-02 -1.078477657e-02 5.10 -9.297003490e-03 -9.297003490e-03 5.12 -8.004891630e-03 -8.004891630e-03 5.14 -6.885592093e-03 -6.885592093e-03 5.16 -5.918129454e-03 -5.918129454e-03 5.18 -5.083472642e-03 -5.083472642e-03 5.20 -4.364524476e-03 -4.364524476e-03 5.22 -3.746052903e-03 -3.746052903e-03 5.24 -3.214583186e-03 -3.214583186e-03 5.26 -2.758266400e-03 -2.758266400e-03 5.28 -2.366736052e-03 -2.366736052e-03 5.30 -2.030961490e-03 -2.030961490e-03 5.32 -1.743104254e-03 -1.743104254e-03 5.34 -1.496381421e-03 -1.496381421e-03 5.36 -1.284938457e-03 -1.284938457e-03 5.38 -1.103732901e-03 -1.103732901e-03 5.40 -9.484293694e-04 -9.484293694e-04 5.42 -8.153057812e-04 -8.153057812e-04 5.44 -7.011703266e-04 -7.011703266e-04 5.46 -6.032884614e-04 -6.032884614e-04 5.48 -5.193190895e-04 -5.193190895e-04 5.50 -4.472590401e-04 -4.472590401e-04 5.52 -3.853949542e-04 -3.853949542e-04 5.54 -3.322617262e-04 -3.322617262e-04 5.56 -2.866067043e-04 -2.866067043e-04 5.58 -2.473589208e-04 -2.473589208e-04 5.60 -2.136026930e-04 -2.136026930e-04 5.62 -1.845550075e-04 -1.845550075e-04 5.64 -1.595461694e-04 -1.595461694e-04 5.66 -1.380032599e-04 -1.380032599e-04 5.68 -1.194360053e-04 -1.194360053e-04 5.70 -1.034247130e-04 -1.034247130e-04 5.72 -8.960997502e-05 -8.960997502e-05 5.74 -7.768388431e-05 -7.768388431e-05 5.76 -6.738254038e-05 -6.738254038e-05 5.78 -5.847965712e-05 -5.847965712e-05 5.80 -5.078110961e-05 -5.078110961e-05 5.82 -4.412028162e-05 -4.412028162e-05 5.84 -3.835409558e-05 -3.835409558e-05 5.86 -3.335962403e-05 -3.335962403e-05 5.88 -2.903119661e-05 -2.903119661e-05 5.90 -2.527792931e-05 -2.527792931e-05 5.92 -2.202161353e-05 -2.202161353e-05 5.94 -1.919491195e-05 -1.919491195e-05 5.96 -1.673981589e-05 -1.673981589e-05 5.98 -1.460632566e-05 -1.460632566e-05 6.00 -1.275132130e-05 -1.275132130e-05