# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu3Pt # 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 2026-08-31 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 3.927064200e+06 nan nan 0.80 3.537709924e+06 nan nan 0.82 3.186122822e+06 nan nan 0.84 2.867907634e+06 nan nan 0.86 2.579263646e+06 3.761568295e+06 nan 0.88 2.316920666e+06 3.417975290e+06 3.846141208e+06 0.90 2.077999621e+06 3.104789705e+06 3.504419885e+06 0.92 1.859974573e+06 2.818836277e+06 3.192298093e+06 0.94 1.660662058e+06 2.557284664e+06 2.906740676e+06 0.96 1.478146315e+06 2.317637684e+06 2.645058742e+06 0.98 1.310732729e+06 2.097638533e+06 2.404811763e+06 1.00 1.156958481e+06 1.895392964e+06 2.183879092e+06 1.02 1.015489997e+06 1.709166329e+06 1.980377810e+06 1.04 8.851588095e+05 1.537436860e+06 1.792674721e+06 1.06 7.649126952e+05 1.378863861e+06 1.619306905e+06 1.08 6.538517390e+05 1.232223204e+06 1.458969626e+06 1.10 5.511301813e+05 1.096467519e+06 1.310503530e+06 1.12 4.564157201e+05 9.706633413e+05 1.172852415e+06 1.14 3.722993852e+05 8.539444830e+05 1.045091884e+06 1.16 2.976754768e+05 7.455060249e+05 9.263691821e+05 1.18 2.313720086e+05 6.446404058e+05 8.159039297e+05 1.20 1.784985473e+05 5.507365871e+05 7.130170728e+05 1.22 1.379480438e+05 4.634819223e+05 6.170980900e+05 1.24 1.067781412e+05 3.851130891e+05 5.275741117e+05 1.26 8.277256115e+04 3.149961108e+05 4.443042827e+05 1.28 6.424877000e+04 2.520717028e+05 3.694448217e+05 1.30 4.992638567e+04 1.987180410e+05 3.022433349e+05 1.32 3.883636276e+04 1.567788932e+05 2.416407597e+05 1.34 3.023782434e+04 1.238597949e+05 1.915955999e+05 1.36 2.356317905e+04 9.797806899e+04 1.521328696e+05 1.38 1.837397128e+04 7.759700391e+04 1.209649282e+05 1.40 1.433435467e+04 6.152160467e+04 9.630081712e+04 1.42 1.118677221e+04 4.882608110e+04 7.674519932e+04 1.44 8.732703169e+03 3.878729640e+04 6.122043460e+04 1.46 6.818092587e+03 3.083764839e+04 4.887863584e+04 1.48 5.323492949e+03 2.453219665e+04 3.905537678e+04 1.50 4.155949035e+03 1.952520261e+04 3.122907307e+04 1.52 3.243524315e+03 1.554641243e+04 2.498659715e+04 1.54 2.530439787e+03 1.238245807e+04 2.000189412e+04 1.56 1.973173110e+03 9.864641932e+03 1.601873220e+04 1.58 1.537731865e+03 7.859999060e+03 1.283371693e+04 1.60 1.197555148e+03 6.263160692e+03 1.028454543e+04 1.62 9.318751911e+02 4.990643464e+03 8.243055348e+03 1.64 7.243320292e+02 3.976339030e+03 6.607490257e+03 1.66 5.622475920e+02 3.167714166e+03 5.296635871e+03 1.68 4.357381984e+02 2.522777308e+03 4.245379465e+03 1.70 3.370689177e+02 2.008232964e+03 3.401898878e+03 1.72 2.601932200e+02 1.597779345e+03 2.725112868e+03 1.74 2.003652796e+02 1.270429250e+03 2.182085255e+03 1.76 1.538614658e+02 1.009429846e+03 1.746427189e+03 1.78 1.177538107e+02 8.013378350e+02 1.396945695e+03 1.80 8.975042887e+01 6.354448035e+02 1.116641196e+03 1.82 6.806584961e+01 5.032677907e+02 8.918843267e+02 1.84 5.129565723e+01 3.980182186e+02 7.117244510e+02 1.86 3.834542379e+01 3.142762397e+02 5.673816175e+02 1.88 2.836280200e+01 2.477040583e+02 4.517978412e+02 1.90 2.068292234e+01 1.948304116e+02 3.592545627e+02 1.92 1.478635083e+01 1.528781264e+02 2.851601944e+02 1.94 1.026770151e+01 1.196213645e+02 2.258938637e+02 1.96 6.811357187e+00 9.327287731e+01 1.785379927e+02 1.98 4.172034795e+00 7.242385721e+01 1.407415795e+02 2.00 2.159535403e+00 5.594336683e+01 1.106108914e+02 2.02 6.267165988e-01 4.293226579e+01 8.662135395e+01 2.04 -5.399647473e-01 3.267733562e+01 6.754603462e+01 2.06 -1.427595981e+00 2.460847516e+01 5.239478563e+01 2.08 -2.102943332e+00 1.827055170e+01 4.037547715e+01 2.10 -2.617030817e+00 1.330070592e+01 3.085555989e+01 2.12 -3.008700770e+00 9.409896674e+00 2.332726200e+01 2.14 -3.307386512e+00 6.368699044e+00 1.738338975e+01 2.16 -3.535250910e+00 3.995137531e+00 1.269784141e+01 2.18 -3.708953546e+00 2.144750895e+00 9.009839965e+00 2.20 -3.840923643e+00 7.039617121e-01 6.111180317e+00 2.22 -3.940448015e+00 -4.166617331e-01 3.835915145e+00 2.24 -4.014417211e+00 -1.287531226e+00 2.051790427e+00 2.26 -4.067870053e+00 -1.963927086e+00 6.536298007e-01 2.28 -4.104583050e+00 -2.489118315e+00 -4.409473254e-01 2.30 -4.127358914e+00 -2.896862690e+00 -1.297140792e+00 2.32 -4.138281793e+00 -3.213406877e+00 -1.966474991e+00 2.34 -4.138915196e+00 -3.459083714e+00 -2.489549816e+00 2.36 -4.130450454e+00 -3.649583036e+00 -2.898258331e+00 2.38 -4.113796487e+00 -3.796964234e+00 -3.217571923e+00 2.40 -4.089677581e+00 -3.910465114e+00 -3.466974918e+00 2.42 -4.058721391e+00 -3.997134251e+00 -3.661615400e+00 2.44 -4.021474430e+00 -4.062331924e+00 -3.813212416e+00 2.46 -3.978431052e+00 -4.110123923e+00 -3.930801231e+00 2.48 -3.930053114e+00 -4.143589898e+00 -4.021339000e+00 2.50 -3.876771536e+00 -4.165052298e+00 -4.090144155e+00 2.52 -3.818948403e+00 -4.176215867e+00 -4.141196269e+00 2.54 -3.756992287e+00 -4.178425577e+00 -4.177586314e+00 2.56 -3.691316154e+00 -4.172732651e+00 -4.201688215e+00 2.58 -3.622326543e+00 -4.159966110e+00 -4.215318317e+00 2.60 -3.550422828e+00 -4.140795297e+00 -4.219871905e+00 2.62 -3.475995861e+00 -4.115634688e+00 -4.216429363e+00 2.64 -3.399426309e+00 -4.084791996e+00 -4.205838178e+00 2.66 -3.321082913e+00 -4.048679142e+00 -4.188775789e+00 2.68 -3.241206823e+00 -4.007670535e+00 -4.165797301e+00 2.70 -3.159968727e+00 -3.962115615e+00 -4.137371322e+00 2.72 -3.077675996e+00 -3.912343572e+00 -4.103900232e+00 2.74 -2.994611641e+00 -3.858667299e+00 -4.065735957e+00 2.76 -2.911055901e+00 -3.801401987e+00 -4.023217504e+00 2.78 -2.827227654e+00 -3.740858097e+00 -3.976667305e+00 2.80 -2.743301237e+00 -3.677341670e+00 -3.926396900e+00 2.82 -2.659501802e+00 -3.611154306e+00 -3.872710907e+00 2.84 -2.576038547e+00 -3.542580799e+00 -3.815909245e+00 2.86 -2.493104107e+00 -3.471881423e+00 -3.756288096e+00 2.88 -2.410874901e+00 -3.399338065e+00 -3.694130021e+00 2.90 -2.329511568e+00 -3.325226133e+00 -3.629482657e+00 2.92 -2.249159485e+00 -3.249812063e+00 -3.562515192e+00 2.94 -2.169949354e+00 -3.173352408e+00 -3.493490033e+00 2.96 -2.091997839e+00 -3.096093033e+00 -3.422663280e+00 2.98 -2.015408238e+00 -3.018268435e+00 -3.350283935e+00 3.00 -1.940271186e+00 -2.940101200e+00 -3.276593115e+00 3.02 -1.866649920e+00 -2.861801592e+00 -3.201823332e+00 3.04 -1.794593954e+00 -2.783567283e+00 -3.126197832e+00 3.06 -1.724161116e+00 -2.705556703e+00 -3.049930048e+00 3.08 -1.655399535e+00 -2.627793312e+00 -2.973223149e+00 3.10 -1.588348296e+00 -2.550410869e+00 -2.896269693e+00 3.12 -1.523038114e+00 -2.473553919e+00 -2.819251395e+00 3.14 -1.459480111e+00 -2.397355481e+00 -2.742322028e+00 3.16 -1.397668551e+00 -2.321937361e+00 -2.665609460e+00 3.18 -1.337613589e+00 -2.247410510e+00 -2.589261882e+00 3.20 -1.279319995e+00 -2.173875417e+00 -2.513417492e+00 3.22 -1.222787166e+00 -2.101422531e+00 -2.438203932e+00 3.24 -1.168009629e+00 -2.030132709e+00 -2.363738526e+00 3.26 -1.114977521e+00 -1.960077673e+00 -2.290128570e+00 3.28 -1.063677042e+00 -1.891320483e+00 -2.217471649e+00 3.30 -1.014090875e+00 -1.823916014e+00 -2.145855995e+00 3.32 -9.661985832e-01 -1.757908680e+00 -2.075360868e+00 3.34 -9.199769752e-01 -1.693306718e+00 -2.006056953e+00 3.36 -8.754004498e-01 -1.630135229e+00 -1.938006773e+00 3.38 -8.324413126e-01 -1.568422337e+00 -1.871265107e+00 3.40 -7.910700688e-01 -1.508190335e+00 -1.805879414e+00 3.42 -7.512556942e-01 -1.449456105e+00 -1.741890257e+00 3.44 -7.129658834e-01 -1.392231519e+00 -1.679331722e+00 3.46 -6.761672780e-01 -1.336523834e+00 -1.618231830e+00 3.48 -6.408256749e-01 -1.282336062e+00 -1.558612947e+00 3.50 -6.069062162e-01 -1.229667327e+00 -1.500492173e+00 3.52 -5.743735624e-01 -1.178513206e+00 -1.443881727e+00 3.54 -5.431920486e-01 -1.128866053e+00 -1.388744403e+00 3.56 -5.133258264e-01 -1.080715297e+00 -1.335026075e+00 3.58 -4.847389908e-01 -1.034047736e+00 -1.282727856e+00 3.60 -4.573956952e-01 -9.888478058e-01 -1.231847797e+00 3.62 -4.312602529e-01 -9.450978323e-01 -1.182380920e+00 3.64 -4.062972284e-01 -9.027782701e-01 -1.134319491e+00 3.66 -3.824715180e-01 -8.618679246e-01 -1.087653278e+00 3.68 -3.597484202e-01 -8.223441585e-01 -1.042369793e+00 3.70 -3.380936983e-01 -7.841830836e-01 -9.984545220e-01 3.72 -3.174736340e-01 -7.473597397e-01 -9.558911376e-01 3.74 -2.978550741e-01 -7.118482584e-01 -9.146617014e-01 3.76 -2.792054704e-01 -6.776220164e-01 -8.747468512e-01 3.78 -2.614929127e-01 -6.446537746e-01 -8.361259763e-01 3.80 -2.446861573e-01 -6.129158073e-01 -7.987773805e-01 3.82 -2.287546494e-01 -5.823800197e-01 -7.626784333e-01 3.84 -2.136685411e-01 -5.530180562e-01 -7.278003864e-01 3.86 -1.993987056e-01 -5.248013981e-01 -6.941055460e-01 3.88 -1.859167470e-01 -4.977014532e-01 -6.615693870e-01 3.90 -1.731950071e-01 -4.716896363e-01 -6.301676844e-01 3.92 -1.612065691e-01 -4.467374424e-01 -5.998758569e-01 3.94 -1.499252582e-01 -4.228165128e-01 -5.706690585e-01 3.96 -1.393256400e-01 -3.998986933e-01 -5.425222633e-01 3.98 -1.293830172e-01 -3.779560874e-01 -5.154103417e-01 4.00 -1.200734236e-01 -3.569611028e-01 -4.893081311e-01 4.02 -1.113736165e-01 -3.368864925e-01 -4.641904989e-01 4.04 -1.032610687e-01 -3.177053916e-01 -4.400324005e-01 4.06 -9.571395742e-02 -2.993913484e-01 -4.168089311e-01 4.08 -8.867940852e-02 -2.819183521e-01 -3.944953723e-01 4.10 -8.204500469e-02 -2.652608561e-01 -3.730672338e-01 4.12 -7.578969316e-02 -2.493937981e-01 -3.525002908e-01 4.14 -6.989926709e-02 -2.342926162e-01 -3.327706171e-01 4.16 -6.436000481e-02 -2.199332628e-01 -3.138546139e-01 4.18 -5.915865759e-02 -2.062922151e-01 -2.957290355e-01 4.20 -5.428228612e-02 -1.933464838e-01 -2.783710114e-01 4.22 -4.971815875e-02 -1.810736184e-01 -2.617580652e-01 4.24 -4.545477489e-02 -1.694517117e-01 -2.458681311e-01 4.26 -4.148094048e-02 -1.584594018e-01 -2.306795675e-01 4.28 -3.778571688e-02 -1.480758721e-01 -2.161711679e-01 4.30 -3.435845795e-02 -1.382808504e-01 -2.023221703e-01 4.32 -3.118883362e-02 -1.290479556e-01 -1.891122640e-01 4.34 -2.826684933e-02 -1.202840359e-01 -1.765215951e-01 4.36 -2.558285633e-02 -1.119527372e-01 -1.645307696e-01 4.38 -2.312755593e-02 -1.040394742e-01 -1.531208560e-01 4.40 -2.089199903e-02 -9.653008921e-02 -1.422733856e-01 4.42 -1.886758183e-02 -8.941084439e-02 -1.319703520e-01 4.44 -1.704594194e-02 -8.266841447e-02 -1.221942097e-01 4.46 -1.541531678e-02 -7.628987862e-02 -1.129278711e-01 4.48 -1.390995571e-02 -7.026271218e-02 -1.041547033e-01 4.50 -1.250432396e-02 -6.457477831e-02 -9.585852352e-02 4.52 -1.119458525e-02 -5.921432044e-02 -8.802359425e-02 4.54 -9.977017049e-03 -5.416995124e-02 -8.063461746e-02 4.56 -8.848014009e-03 -4.943064378e-02 -7.367672854e-02 4.58 -7.804090035e-03 -4.498572452e-02 -6.713548964e-02 4.60 -6.841879098e-03 -4.082486434e-02 -6.099688347e-02 4.62 -5.958135078e-03 -3.693807049e-02 -5.524730314e-02 4.64 -5.149730782e-03 -3.331538242e-02 -4.987354611e-02 4.66 -4.413656321e-03 -2.994718412e-02 -4.486280717e-02 4.68 -3.747016954e-03 -2.682480891e-02 -4.020267104e-02 4.70 -3.147030526e-03 -2.393698892e-02 -3.588084749e-02 4.72 -2.611024581e-03 -2.126865115e-02 -3.188551351e-02 4.74 -2.136433250e-03 -1.881183885e-02 -2.820569564e-02 4.76 -1.720793955e-03 -1.655906880e-02 -2.483064887e-02 4.78 -1.361744008e-03 -1.450290278e-02 -2.174987348e-02 4.80 -1.057017135e-03 -1.263649129e-02 -1.895267647e-02 4.82 -8.044399762e-04 -1.095319318e-02 -1.642907814e-02 4.84 -6.018968477e-04 -9.446542841e-03 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