# 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 = PdPt3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.694608664e+02 nan nan 1.16 4.359969704e+02 nan nan 1.18 4.049287321e+02 nan nan 1.20 3.760475718e+02 nan nan 1.22 3.491794966e+02 nan nan 1.24 3.241747110e+02 nan nan 1.26 3.008974748e+02 nan nan 1.28 2.792112592e+02 4.147565151e+02 4.682922626e+02 1.30 2.589783400e+02 3.875483569e+02 4.383588257e+02 1.32 2.400776625e+02 3.620832453e+02 4.103152285e+02 1.34 2.224161237e+02 3.382301014e+02 3.840129421e+02 1.36 2.059181561e+02 3.158631518e+02 3.593423936e+02 1.38 1.905082346e+02 2.948684819e+02 3.362180300e+02 1.40 1.761064202e+02 2.751534318e+02 3.145553364e+02 1.42 1.626363282e+02 2.566508995e+02 2.942609911e+02 1.44 1.500313268e+02 2.393098907e+02 2.752365188e+02 1.46 1.382314818e+02 2.230772233e+02 2.573846707e+02 1.48 1.271761211e+02 2.078859145e+02 2.406135515e+02 1.50 1.168005872e+02 1.936569952e+02 2.248384632e+02 1.52 1.070400017e+02 1.803075405e+02 2.099829323e+02 1.54 9.783645820e+01 1.677570451e+02 1.959799275e+02 1.56 8.914486716e+01 1.559314554e+02 1.827719357e+02 1.58 8.093445090e+01 1.447666637e+02 1.703090818e+02 1.60 7.318496887e+01 1.342111075e+02 1.585472639e+02 1.62 6.587954864e+01 1.242256348e+02 1.474474181e+02 1.64 5.911649913e+01 1.147798333e+02 1.369740393e+02 1.66 5.296683659e+01 1.058466767e+02 1.270918723e+02 1.68 4.737175697e+01 9.739898545e+01 1.177629871e+02 1.70 4.227750333e+01 8.940942930e+01 1.089467000e+02 1.72 3.763776472e+01 8.185219872e+01 1.006019254e+02 1.74 3.341371404e+01 7.470329577e+01 9.268986295e+01 1.76 2.957233026e+01 6.793873574e+01 8.517590908e+01 1.78 2.608411132e+01 6.157473515e+01 7.803111878e+01 1.80 2.292104763e+01 5.571605554e+01 7.123357591e+01 1.82 2.005538592e+01 5.032823574e+01 6.477055661e+01 1.84 1.745945761e+01 4.536878603e+01 5.875099040e+01 1.86 1.510641505e+01 4.080314654e+01 5.322545730e+01 1.88 1.297128820e+01 3.660387936e+01 4.816265211e+01 1.90 1.103176494e+01 3.274854976e+01 4.352784507e+01 1.92 9.268454870e+00 2.921709409e+01 3.928399707e+01 1.94 7.664736843e+00 2.598957707e+01 3.539436871e+01 1.96 6.206409662e+00 2.304496148e+01 3.182488712e+01 1.98 4.881312816e+00 2.036101239e+01 2.854533052e+01 2.00 3.678983723e+00 1.791503246e+01 2.552935248e+01 2.02 2.590344924e+00 1.568492497e+01 2.275387575e+01 2.04 1.607389617e+00 1.365012177e+01 2.019842013e+01 2.06 7.228502641e-01 1.179212080e+01 1.784468746e+01 2.08 -7.012611326e-02 1.009460855e+01 1.567642898e+01 2.10 -7.782378153e-01 8.543280341e+00 1.367943713e+01 2.12 -1.408165412e+00 7.125511021e+00 1.184147821e+01 2.14 -1.966569493e+00 5.830012486e+00 1.015205219e+01 2.16 -2.459986642e+00 4.646571203e+00 8.601962244e+00 2.18 -2.894685463e+00 3.565897746e+00 7.182770387e+00 2.20 -3.276530705e+00 2.579564157e+00 5.886285528e+00 2.22 -3.610877482e+00 1.679979568e+00 4.704236612e+00 2.24 -3.902503818e+00 8.603630640e-01 3.628208143e+00 2.26 -4.155587326e+00 1.146956789e-01 2.649797923e+00 2.28 -4.373727721e+00 -5.623489518e-01 1.760876961e+00 2.30 -4.560007420e+00 -1.175488965e+00 9.538295801e-01 2.32 -4.717075078e+00 -1.728927168e+00 2.217037565e-01 2.34 -4.847236547e+00 -2.226447393e+00 -4.417421677e-01 2.36 -4.954794413e+00 -2.671509877e+00 -1.042077611e+00 2.38 -5.043733169e+00 -3.067341401e+00 -1.584293732e+00 2.40 -5.114688380e+00 -3.417016140e+00 -2.072923892e+00 2.42 -5.168365899e+00 -3.723523995e+00 -2.512162020e+00 2.44 -5.205530341e+00 -3.989824972e+00 -2.905952234e+00 2.46 -5.226971879e+00 -4.218890782e+00 -3.258030892e+00 2.48 -5.233476160e+00 -4.413736253e+00 -3.571918324e+00 2.50 -5.225814749e+00 -4.577440090e+00 -3.850876165e+00 2.52 -5.204769462e+00 -4.713146414e+00 -4.097857035e+00 2.54 -5.171190297e+00 -4.824031362e+00 -4.315470377e+00 2.56 -5.126069191e+00 -4.914462483e+00 -4.505975636e+00 2.58 -5.070599119e+00 -4.990420546e+00 -4.671301155e+00 2.60 -5.006187582e+00 -5.053511831e+00 -4.813080706e+00 2.62 -4.934407485e+00 -5.104907433e+00 -4.932699876e+00 2.64 -4.857033228e+00 -5.145564456e+00 -5.032568243e+00 2.66 -4.775852987e+00 -5.176216126e+00 -5.116207555e+00 2.68 -4.692097884e+00 -5.197399769e+00 -5.183894906e+00 2.70 -4.606752571e+00 -5.209503791e+00 -5.235878281e+00 2.72 -4.520548154e+00 -5.212816634e+00 -5.272564689e+00 2.74 -4.433982574e+00 -5.207567517e+00 -5.294570344e+00 2.76 -4.347363525e+00 -5.193955840e+00 -5.302761404e+00 2.78 -4.260857446e+00 -5.172170960e+00 -5.298269435e+00 2.80 -4.174537760e+00 -5.142406385e+00 -5.282467315e+00 2.82 -4.088446986e+00 -5.104872643e+00 -5.256899327e+00 2.84 -4.002603079e+00 -5.059812493e+00 -5.223172973e+00 2.86 -3.917000425e+00 -5.007616434e+00 -5.182834028e+00 2.88 -3.831626241e+00 -4.948824983e+00 -5.137253609e+00 2.90 -3.746470854e+00 -4.883814240e+00 -5.087551965e+00 2.92 -3.661532831e+00 -4.813086217e+00 -5.034571851e+00 2.94 -3.576820143e+00 -4.737287125e+00 -4.979099261e+00 2.96 -3.492348680e+00 -4.657195763e+00 -4.921540534e+00 2.98 -3.408139447e+00 -4.573688984e+00 -4.861978105e+00 3.00 -3.324215513e+00 -4.487686038e+00 -4.800423931e+00 3.02 -3.240599593e+00 -4.400080692e+00 -4.736857819e+00 3.04 -3.157312822e+00 -4.311674965e+00 -4.671254186e+00 3.06 -3.074374938e+00 -4.223132078e+00 -4.603598062e+00 3.08 -2.991805787e+00 -4.134964223e+00 -4.533892594e+00 3.10 -2.909627751e+00 -4.047516290e+00 -4.462160689e+00 3.12 -2.827868493e+00 -3.960978968e+00 -4.388443248e+00 3.14 -2.746563356e+00 -3.875421761e+00 -4.312802680e+00 3.16 -2.665756811e+00 -3.790828906e+00 -4.235327082e+00 3.18 -2.585502599e+00 -3.707132179e+00 -4.156109224e+00 3.20 -2.505891421e+00 -3.624237261e+00 -4.075242338e+00 3.22 -2.427130446e+00 -3.542042995e+00 -3.992819856e+00 3.24 -2.349430999e+00 -3.460454338e+00 -3.908936862e+00 3.26 -2.272974000e+00 -3.379390445e+00 -3.823693505e+00 3.28 -2.197910518e+00 -3.298789290e+00 -3.737200363e+00 3.30 -2.124362552e+00 -3.218609945e+00 -3.649585506e+00 3.32 -2.052424380e+00 -3.138833221e+00 -3.561002616e+00 3.34 -1.982164604e+00 -3.059461104e+00 -3.471639038e+00 3.36 -1.913628916e+00 -2.980515182e+00 -3.381722193e+00 3.38 -1.846843340e+00 -2.902034253e+00 -3.291522513e+00 3.40 -1.781817773e+00 -2.824071246e+00 -3.201351140e+00 3.42 -1.718549466e+00 -2.746689711e+00 -3.111551258e+00 3.44 -1.657026178e+00 -2.669960065e+00 -3.022483092e+00 3.46 -1.597228723e+00 -2.593958159e+00 -2.934504072e+00 3.48 -1.539132828e+00 -2.518807443e+00 -2.847946987e+00 3.50 -1.482710219e+00 -2.444683433e+00 -2.763099665e+00 3.52 -1.427929050e+00 -2.371759249e+00 -2.680189491e+00 3.54 -1.374753768e+00 -2.300180334e+00 -2.599374738e+00 3.56 -1.323144687e+00 -2.230064327e+00 -2.520750476e+00 3.58 -1.273057424e+00 -2.161502273e+00 -2.444438210e+00 3.60 -1.224442413e+00 -2.094559958e+00 -2.370544983e+00 3.62 -1.177244656e+00 -2.029279339e+00 -2.299099909e+00 3.64 -1.131403825e+00 -1.965680122e+00 -2.230071467e+00 3.66 -1.086854832e+00 -1.903761488e+00 -2.163384549e+00 3.68 -1.043528899e+00 -1.843504022e+00 -2.098934670e+00 3.70 -1.001355192e+00 -1.784871859e+00 -2.036599232e+00 3.72 -9.602630172e-01 -1.727815079e+00 -1.976246223e+00 3.74 -9.201845609e-01 -1.672272316e+00 -1.917740895e+00 3.76 -8.810580972e-01 -1.618173547e+00 -1.860950945e+00 3.78 -8.428315119e-01 -1.565442969e+00 -1.805750605e+00 3.80 -8.054659004e-01 -1.514001832e+00 -1.752023882e+00 3.82 -7.689388910e-01 -1.463771107e+00 -1.699667070e+00 3.84 -7.332472388e-01 -1.414673858e+00 -1.648590508e+00 3.86 -6.984081745e-01 -1.366637218e+00 -1.598719576e+00 3.88 -6.644589972e-01 -1.319593935e+00 -1.549994884e+00 3.90 -6.314545211e-01 -1.273483499e+00 -1.502371679e+00 3.92 -5.994622419e-01 -1.228252936e+00 -1.455818563e+00 3.94 -5.685554633e-01 -1.183857403e+00 -1.410315666e+00 3.96 -5.388050168e-01 -1.140260692e+00 -1.365852422e+00 3.98 -5.102706259e-01 -1.097435823e+00 -1.322425211e+00 4.00 -4.829930969e-01 -1.055365791e+00 -1.280035006e+00 4.02 -4.569884880e-01 -1.014044479e+00 -1.238685182e+00 4.04 -4.322450748e-01 -9.734776921e-01 -1.198379610e+00 4.06 -4.087234335e-01 -9.336841382e-01 -1.159121094e+00 4.08 -3.863594391e-01 -8.946961146e-01 -1.120910160e+00 4.10 -3.650695559e-01 -8.565596050e-01 -1.083744193e+00 4.12 -3.447575662e-01 -8.193335231e-01 -1.047616883e+00 4.14 -3.253218613e-01 -7.830877454e-01 -1.012517932e+00 4.16 -3.066625365e-01 -7.478999712e-01 -9.784329582e-01 4.18 -2.886877300e-01 -7.138513467e-01 -9.453435581e-01 4.20 -2.713188400e-01 -6.810211847e-01 -9.132274681e-01 4.22 -2.544944249e-01 -6.494812443e-01 -8.820587940e-01 4.24 -2.381726420e-01 -6.192901864e-01 -8.518082733e-01 4.26 -2.223322327e-01 -5.904888416e-01 -8.224435495e-01 4.28 -2.069720104e-01 -5.630968376e-01 -7.939294426e-01 4.30 -1.921089229e-01 -5.371109257e-01 -7.662282089e-01 4.32 -1.777748160e-01 -5.125050889e-01 -7.392997856e-01 4.34 -1.640121348e-01 -4.892322600e-01 -7.131020249e-01 4.36 -1.508689128e-01 -4.672272836e-01 -6.875909225e-01 4.38 -1.383935100e-01 -4.464106541e-01 -6.627208522e-01 4.40 -1.266295783e-01 -4.266925586e-01 -6.384448193e-01 4.42 -1.156117711e-01 -4.079768238e-01 -6.147147504e-01 4.44 -1.053625540e-01 -3.901644795e-01 -5.914818393e-01 4.46 -9.589035465e-02 -3.731567770e-01 -5.686969689e-01 4.48 -8.718908531e-02 -3.568576114e-01 -5.463112346e-01 4.50 -7.923890417e-02 -3.411753818e-01 -5.242765898e-01 4.52 -7.200794754e-02 -3.260243759e-01 -5.025466289e-01 4.54 -6.545470177e-02 -3.113257926e-01 -4.810775677e-01 4.56 -5.953067706e-02 -2.970085159e-01 -4.598293179e-01 4.58 -5.418309352e-02 -2.830097423e-01 -4.387668050e-01 4.60 -4.935735833e-02 -2.692755405e-01 -4.178613917e-01 4.62 -4.499919716e-02 -2.557613890e-01 -3.970924108e-01 4.64 -4.105636841e-02 -2.424327090e-01 -3.764487306e-01 4.66 -3.747995165e-02 -2.292653722e-01 -3.559302532e-01 4.68 -3.422525446e-02 -2.162461358e-01 -3.355492183e-01 4.70 -3.125236882e-02 -2.033729276e-01 -3.153311632e-01 4.72 -2.852640932e-02 -1.906548878e-01 -2.953153762e-01 4.74 -2.601752187e-02 -1.781120665e-01 -2.755546879e-01 4.76 -2.370063934e-02 -1.657746863e-01 -2.561144762e-01 4.78 -2.155520896e-02 -1.536819063e-01 -2.370708113e-01 4.80 -1.956491275e-02 -1.418800641e-01 -2.185077524e-01 4.82 -1.771688651e-02 -1.304204479e-01 -2.005138979e-01 4.84 -1.600114255e-02 -1.193566709e-01 -1.831783942e-01 4.86 -1.440996584e-02 -1.087418518e-01 -1.665866930e-01 4.88 -1.293731330e-02 -9.862577860e-02 -1.508163985e-01 4.90 -1.157825171e-02 -8.905229193e-02 -1.359335592e-01 4.92 -1.032846478e-02 -8.005709700e-02 -1.219897138e-01 4.94 -9.183849183e-03 -7.166616921e-02 -1.090199178e-01 4.96 -8.140210095e-03 -6.389485042e-02 -9.704185966e-02 4.98 -7.193097228e-03 -5.674765404e-02 -8.605605393e-02 5.00 -6.337687069e-03 -5.021872302e-02 -7.604698583e-02 5.02 -5.568765416e-03 -4.429282520e-02 -6.698500327e-02 5.04 -4.880777250e-03 -3.894673510e-02 -5.882870873e-02 5.06 -4.268356503e-03 -3.415083972e-02 -5.152759920e-02 5.08 -3.727087359e-03 -2.987081599e-02 -4.502472897e-02 5.10 -3.249886194e-03 -2.606924414e-02 -3.925921541e-02 5.12 -2.829988088e-03 -2.270711134e-02 -3.416846257e-02 5.14 -2.461261375e-03 -1.974505625e-02 -2.969003052e-02 5.16 -2.138131800e-03 -1.714439691e-02 -2.576312455e-02 5.18 -1.855527284e-03 -1.486795643e-02 -2.232970314e-02 5.20 -1.608837245e-03 -1.288188345e-02 -1.933526507e-02 5.22 -1.393881040e-03 -1.115307491e-02 -1.672936143e-02 5.24 -1.206881345e-03 -9.650528843e-03 -1.446580512e-02 5.26 -1.044439607e-03 -8.346597576e-03 -1.250273186e-02 5.28 -9.035118881e-04 -7.216933494e-03 -1.080400838e-02 5.30 -7.813843358e-04 -6.239014503e-03 -9.336364018e-03 5.32 -6.756481407e-04 -5.392988410e-03 -8.068342933e-03 5.34 -5.841742089e-04 -4.661477277e-03 -6.972846095e-03 5.36 -5.050879525e-04 -4.029283729e-03 -6.026606408e-03 5.38 -4.367446442e-04 -3.483135949e-03 -5.209456499e-03 5.40 -3.777057394e-04 -3.011462524e-03 -4.503902796e-03 5.42 -3.267164932e-04 -2.604191687e-03 -3.894774298e-03 5.44 -2.826851017e-04 -2.252571540e-03 -3.368921847e-03 5.46 -2.446635057e-04 -1.949008981e-03 -2.914957574e-03 5.48 -2.118299143e-04 -1.686925656e-03 -2.523027468e-03 5.50 -1.834730435e-04 -1.460629547e-03 -2.184612129e-03 5.52 -1.589780139e-04 -1.265200953e-03 -1.892351994e-03 5.54 -1.378138192e-04 -1.096391639e-03 -1.639893450e-03 5.56 -1.195222542e-04 -9.505360110e-04 -1.421757177e-03 5.58 -1.037081823e-04 -8.244731570e-04 -1.233216864e-03 5.60 -9.003101513e-05 -7.154786599e-04 -1.070199619e-03 5.62 -7.819727954e-05 -6.212051442e-04 -9.291961854e-04 5.64 -6.795415391e-05 -5.396305719e-04 -8.071835821e-04 5.66 -5.908386010e-05 -4.690133826e-04 -7.015580224e-04 5.68 -5.139880856e-05 -4.078536500e-04 -6.100768617e-04 5.70 -4.473740265e-05 -3.548595045e-04 -5.308084255e-04 5.72 -3.896041789e-05 -3.089181502e-04 -4.620887053e-04 5.74 -3.394788078e-05 -2.690708751e-04 -4.024840240e-04 5.76 -2.959638090e-05 -2.344915273e-04 -3.507588751e-04 5.78 -2.581675776e-05 -2.044679887e-04 -3.058482413e-04 5.80 -2.253211132e-05 -1.783862397e-04 -2.668337805e-04 5.82 -1.967609145e-05 -1.557166584e-04 -2.329233492e-04 5.84 -1.719142769e-05 -1.360022436e-04 -2.034333999e-04 5.86 -1.502866578e-05 -1.188484951e-04 -1.777738535e-04 5.88 -1.314508191e-05 -1.039147175e-04 -1.554350986e-04 5.90 -1.150374959e-05 -9.090654872e-05 -1.359768206e-04 5.92 -1.007273772e-05 -7.956953856e-05 -1.190184002e-04 5.94 -8.824421315e-06 -6.968363091e-05 -1.042306625e-04 5.96 -7.734888731e-06 -6.105842009e-05 -9.132878250e-05 5.98 -6.783432013e-06 -5.352907243e-05 -8.006618639e-05 6.00 -5.952108382e-06 -4.695281859e-05 -7.022930497e-05