# 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 = Ag3Pt # 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 6.985004051e+06 nan nan 0.80 6.316301936e+06 nan nan 0.82 5.712053242e+06 nan nan 0.84 5.164808264e+06 nan nan 0.86 4.668104259e+06 6.700891185e+06 nan 0.88 4.216289562e+06 6.110594100e+06 6.841009246e+06 0.90 3.804482608e+06 5.572305274e+06 6.254091691e+06 0.92 3.428399350e+06 5.080514925e+06 5.717790971e+06 0.94 3.084333092e+06 4.630349022e+06 5.226862170e+06 0.96 2.769010206e+06 4.217599926e+06 4.776619387e+06 0.98 2.479578020e+06 3.838461547e+06 4.363001017e+06 1.00 2.213478068e+06 3.489624936e+06 3.982386310e+06 1.02 1.968451091e+06 3.168169712e+06 3.631609221e+06 1.04 1.742490257e+06 2.871555216e+06 3.307845318e+06 1.06 1.533838553e+06 2.597475811e+06 3.008627670e+06 1.08 1.340913014e+06 2.343902264e+06 2.731742044e+06 1.10 1.162287365e+06 2.108944250e+06 2.475168554e+06 1.12 9.967137362e+05 1.890970519e+06 2.237083591e+06 1.14 8.430712039e+05 1.688530706e+06 2.015901810e+06 1.16 7.017936052e+05 1.500278380e+06 1.810160298e+06 1.18 5.741306147e+05 1.325026346e+06 1.618597014e+06 1.20 4.581307063e+05 1.161720138e+06 1.440047142e+06 1.22 3.577037945e+05 1.009377358e+06 1.273462860e+06 1.24 2.796278161e+05 8.671373716e+05 1.117900286e+06 1.26 2.189748582e+05 7.349292510e+05 9.724831903e+05 1.28 1.717577722e+05 6.144253281e+05 8.364292228e+05 1.30 1.349235353e+05 5.042615717e+05 7.097389604e+05 1.32 1.061360147e+05 4.047915141e+05 5.939445596e+05 1.34 8.360005975e+04 3.226647532e+05 4.878097840e+05 1.36 6.593098934e+04 2.575956046e+05 3.919932588e+05 1.38 5.205486255e+04 2.059436507e+05 3.143683662e+05 1.40 4.114074309e+04 1.648638785e+05 2.524731312e+05 1.42 3.254523801e+04 1.321427029e+05 2.030375026e+05 1.44 2.576756147e+04 1.060398500e+05 1.634894581e+05 1.46 2.041579099e+04 8.518757797e+04 1.318056061e+05 1.48 1.618557361e+04 6.850824692e+04 1.063810594e+05 1.50 1.283904117e+04 5.514792490e+04 8.595067457e+04 1.52 1.018938519e+04 4.443179736e+04 6.951247774e+04 1.54 8.090028104e+03 3.582743026e+04 5.627023516e+04 1.56 6.425027842e+03 2.891127426e+04 4.559113872e+04 1.58 5.103549562e+03 2.334567463e+04 3.696836035e+04 1.60 4.054212140e+03 1.886277644e+04 2.999613177e+04 1.62 3.220715300e+03 1.524887784e+04 2.435381639e+04 1.64 2.558417521e+03 1.233331589e+04 1.978394277e+04 1.66 2.031987389e+03 9.978902008e+03 1.607896590e+04 1.68 1.613470988e+03 8.075774272e+03 1.307321195e+04 1.70 1.280673720e+03 6.536661229e+03 1.063331957e+04 1.72 1.016060392e+03 5.291504215e+03 8.651444954e+03 1.74 8.057015737e+02 4.283812837e+03 7.040593054e+03 1.76 6.385141356e+02 3.467976147e+03 5.730780989e+03 1.78 5.056772592e+02 2.807341211e+03 4.665371120e+03 1.80 4.001657066e+02 2.272313116e+03 3.798370235e+03 1.82 3.163891163e+02 1.838952676e+03 3.092436971e+03 1.84 2.498938568e+02 1.487898785e+03 2.517506650e+03 1.86 1.971155123e+02 1.203526378e+03 2.049219930e+03 1.88 1.552461729e+02 9.731853503e+02 1.667771859e+03 1.90 1.220480427e+02 7.865846827e+02 1.356971099e+03 1.92 9.574017199e+01 6.354101564e+02 1.103681822e+03 1.94 7.490781478e+01 5.129678409e+02 8.972914644e+02 1.96 5.842355758e+01 4.138283962e+02 7.291478136e+02 1.98 4.538926901e+01 3.335858113e+02 5.921944703e+02 2.00 3.508970079e+01 2.686620206e+02 4.806745218e+02 2.02 2.695359818e+01 2.161331975e+02 3.898834460e+02 2.04 2.052861948e+01 1.736492771e+02 3.159915625e+02 2.06 1.545757870e+01 1.393094159e+02 2.558724452e+02 2.08 1.145572469e+01 1.115691181e+02 2.069719569e+02 2.10 8.297844099e+00 8.917373618e+01 1.672155253e+02 2.12 5.806302221e+00 7.110327831e+01 1.349094879e+02 2.14 3.840371180e+00 5.653123584e+01 1.086690541e+02 2.16 2.288653268e+00 4.478732029e+01 8.735209649e+01 2.18 1.063081080e+00 3.532709654e+01 7.004380190e+01 2.20 9.415506481e-02 2.770935757e+01 5.600033791e+01 2.22 -6.728694187e-01 2.157630764e+01 4.461384040e+01 2.24 -1.281031770e+00 1.664127304e+01 3.538783460e+01 2.26 -1.764102580e+00 1.267122681e+01 2.791720725e+01 2.28 -2.148527693e+00 9.477943308e+00 2.187156204e+01 2.30 -2.454977205e+00 6.910325288e+00 1.698164578e+01 2.32 -2.699577769e+00 4.846156788e+00 1.302787489e+01 2.34 -2.894891235e+00 3.186709303e+00 9.831673059e+00 2.36 -3.050690343e+00 1.852337944e+00 7.248513817e+00 2.38 -3.174560152e+00 7.788895789e-01 5.161001796e+00 2.40 -3.272385450e+00 -8.523201487e-02 3.473885485e+00 2.42 -3.348741248e+00 -7.814602501e-01 2.109976270e+00 2.44 -3.407169332e+00 -1.343012689e+00 1.006732423e+00 2.46 -3.450468585e+00 -1.796490989e+00 1.136745082e-01 2.48 -3.480819386e+00 -2.163129868e+00 -6.098698961e-01 2.50 -3.499936206e+00 -2.459837806e+00 -1.196695097e+00 2.52 -3.509223537e+00 -2.700090270e+00 -1.673202907e+00 2.54 -3.509799023e+00 -2.894610845e+00 -2.060633634e+00 2.56 -3.502567923e+00 -3.051922145e+00 -2.375975836e+00 2.58 -3.488323823e+00 -3.178790849e+00 -2.632796139e+00 2.60 -3.467748357e+00 -3.280586532e+00 -2.841974017e+00 2.62 -3.441438263e+00 -3.361570365e+00 -3.012222789e+00 2.64 -3.409925883e+00 -3.425126862e+00 -3.150513196e+00 2.66 -3.373694285e+00 -3.473949420e+00 -3.262417601e+00 2.68 -3.333188287e+00 -3.510188448e+00 -3.352389156e+00 2.70 -3.288822355e+00 -3.535569259e+00 -3.423987741e+00 2.72 -3.240981682e+00 -3.551482309e+00 -3.480058147e+00 2.74 -3.190023709e+00 -3.559055595e+00 -3.522874636e+00 2.76 -3.136297672e+00 -3.559225105e+00 -3.554275093e+00 2.78 -3.080136613e+00 -3.552773072e+00 -3.575746521e+00 2.80 -3.021857889e+00 -3.540362964e+00 -3.588500009e+00 2.82 -2.961763750e+00 -3.522566865e+00 -3.593530725e+00 2.84 -2.900111339e+00 -3.499846342e+00 -3.591627342e+00 2.86 -2.837142189e+00 -3.472591867e+00 -3.583446324e+00 2.88 -2.773113138e+00 -3.441204970e+00 -3.569580297e+00 2.90 -2.708266593e+00 -3.406055227e+00 -3.550543275e+00 2.92 -2.642830602e+00 -3.367485722e+00 -3.526788142e+00 2.94 -2.577018959e+00 -3.325817968e+00 -3.498720147e+00 2.96 -2.511031352e+00 -3.281299538e+00 -3.466707242e+00 2.98 -2.445053576e+00 -3.234068526e+00 -3.431087926e+00 3.00 -2.379257786e+00 -3.184384339e+00 -3.392177122e+00 3.02 -2.313783493e+00 -3.132501725e+00 -3.350270532e+00 3.04 -2.248634887e+00 -3.078664128e+00 -3.305647810e+00 3.06 -2.183895771e+00 -3.023104267e+00 -3.258574833e+00 3.08 -2.119687507e+00 -2.966044510e+00 -3.209305284e+00 3.10 -2.056120530e+00 -2.907697093e+00 -3.158081733e+00 3.12 -1.993294835e+00 -2.848264265e+00 -3.105136340e+00 3.14 -1.931278951e+00 -2.787938364e+00 -3.050677690e+00 3.16 -1.870083164e+00 -2.726901885e+00 -2.994892581e+00 3.18 -1.809773481e+00 -2.665327534e+00 -2.937983192e+00 3.20 -1.750414508e+00 -2.603378304e+00 -2.880142818e+00 3.22 -1.692063153e+00 -2.541207563e+00 -2.821555326e+00 3.24 -1.634769089e+00 -2.478959181e+00 -2.762395186e+00 3.26 -1.578575203e+00 -2.416767674e+00 -2.702823379e+00 3.28 -1.523518046e+00 -2.354758386e+00 -2.642840922e+00 3.30 -1.469628257e+00 -2.293047699e+00 -2.582513013e+00 3.32 -1.416930983e+00 -2.231741023e+00 -2.521973874e+00 3.34 -1.365446281e+00 -2.170911499e+00 -2.461349524e+00 3.36 -1.315189499e+00 -2.110643035e+00 -2.400757937e+00 3.38 -1.266171649e+00 -2.051019270e+00 -2.340309229e+00 3.40 -1.218399759e+00 -1.992116349e+00 -2.280105854e+00 3.42 -1.171877202e+00 -1.934003229e+00 -2.220242822e+00 3.44 -1.126604019e+00 -1.876742009e+00 -2.160807933e+00 3.46 -1.082577218e+00 -1.820382372e+00 -2.101882017e+00 3.48 -1.039791054e+00 -1.764887045e+00 -2.043539197e+00 3.50 -9.982372969e-01 -1.710271473e+00 -1.985847148e+00 3.52 -9.579054819e-01 -1.656574753e+00 -1.928867373e+00 3.54 -9.187831429e-01 -1.603831021e+00 -1.872655476e+00 3.56 -8.808560311e-01 -1.552069753e+00 -1.817261440e+00 3.58 -8.441083191e-01 -1.501316054e+00 -1.762729907e+00 3.60 -8.085227901e-01 -1.451590936e+00 -1.709100457e+00 3.62 -7.740810147e-01 -1.402911594e+00 -1.656407881e+00 3.64 -7.407635132e-01 -1.355291670e+00 -1.604682452e+00 3.66 -7.085499072e-01 -1.308741501e+00 -1.553950193e+00 3.68 -6.774190580e-01 -1.263268366e+00 -1.504233136e+00 3.70 -6.473491949e-01 -1.218876717e+00 -1.455549572e+00 3.72 -6.183180330e-01 -1.175568399e+00 -1.407914302e+00 3.74 -5.903028805e-01 -1.133342863e+00 -1.361338873e+00 3.76 -5.632807374e-01 -1.092197366e+00 -1.315831800e+00 3.78 -5.372283856e-01 -1.052127160e+00 -1.271398794e+00 3.80 -5.121224698e-01 -1.013125672e+00 -1.228042970e+00 3.82 -4.879395725e-01 -9.751846732e-01 -1.185765043e+00 3.84 -4.646562802e-01 -9.382944388e-01 -1.144558764e+00 3.86 -4.422492441e-01 -9.024438978e-01 -1.104408369e+00 3.88 -4.206952346e-01 -8.676207740e-01 -1.065308450e+00 3.90 -3.999711892e-01 -8.338117173e-01 -1.027252585e+00 3.92 -3.800542564e-01 -8.010024275e-01 -9.902328139e-01 3.94 -3.609218335e-01 -7.691777685e-01 -9.542397860e-01 3.96 -3.425516009e-01 -7.383218761e-01 -9.192628936e-01 3.98 -3.249215515e-01 -7.084182568e-01 -8.852904015e-01 4.00 -3.080100166e-01 -6.794498805e-01 -8.522993857e-01 4.02 -2.917956881e-01 -6.513992661e-01 -8.202343470e-01 4.04 -2.762576380e-01 -6.242485603e-01 -7.890776068e-01 4.06 -2.613753340e-01 -5.979796106e-01 -7.588155357e-01 4.08 -2.471286531e-01 -5.725740324e-01 -7.294339176e-01 4.10 -2.334978926e-01 -5.480132709e-01 -7.009180291e-01 4.12 -2.204637786e-01 -5.242786572e-01 -6.732527141e-01 4.14 -2.080074729e-01 -5.013514606e-01 -6.464224517e-01 4.16 -1.961105774e-01 -4.792129353e-01 -6.204114204e-01 4.18 -1.847551375e-01 -4.578443635e-01 -5.952035571e-01 4.20 -1.739236434e-01 -4.372270943e-01 -5.707826105e-01 4.22 -1.635990308e-01 -4.173425792e-01 -5.471321919e-01 4.24 -1.537646791e-01 -3.981724035e-01 -5.242358209e-01 4.26 -1.444044099e-01 -3.796983147e-01 -5.020769675e-01 4.28 -1.355024836e-01 -3.619022487e-01 -4.806390904e-01 4.30 -1.270435958e-01 -3.447663518e-01 -4.599056725e-01 4.32 -1.190128721e-01 -3.282730012e-01 -4.398602531e-01 4.34 -1.113958629e-01 -3.124048224e-01 -4.204864563e-01 4.36 -1.041785377e-01 -2.971447052e-01 -4.017680179e-01 4.38 -9.734727802e-02 -2.824758164e-01 -3.836888090e-01 4.40 -9.088887100e-02 -2.683816119e-01 -3.662328570e-01 4.42 -8.479050185e-02 -2.548458463e-01 -3.493843652e-01 4.44 -7.903974626e-02 -2.418525810e-01 -3.331277293e-01 4.46 -7.362456254e-02 -2.293861907e-01 -3.174475526e-01 4.48 -6.853328355e-02 -2.174313691e-01 -3.023286593e-01 4.50 -6.375460842e-02 -2.059731328e-01 -2.877561059e-01 4.52 -5.927759417e-02 -1.949968240e-01 -2.737151915e-01 4.54 -5.509164729e-02 -1.844881128e-01 -2.601914660e-01 4.56 -5.118651577e-02 -1.744329981e-01 -2.471707376e-01 4.58 -4.755228092e-02 -1.648178075e-01 -2.346390790e-01 4.60 -4.417934489e-02 -1.556291967e-01 -2.225828317e-01 4.62 -4.103983345e-02 -1.468541484e-01 -2.109886106e-01 4.64 -3.808028668e-02 -1.384799700e-01 -1.998433066e-01 4.66 -3.529234631e-02 -1.304942914e-01 -1.891340887e-01 4.68 -3.266999262e-02 -1.228850616e-01 -1.788484053e-01 4.70 -3.020713085e-02 -1.156378144e-01 -1.689739848e-01 4.72 -2.789818545e-02 -1.087344563e-01 -1.594988355e-01 4.74 -2.573792079e-02 -1.021639796e-01 -1.504112451e-01 4.76 -2.372121903e-02 -9.591600265e-02 -1.416997791e-01 4.78 -2.184306862e-02 -8.998042441e-02 -1.333532793e-01 4.80 -2.009841342e-02 -8.434741952e-02 -1.253608620e-01 4.82 -1.848256532e-02 -7.900743394e-02 -1.177119147e-01 4.84 -1.699099779e-02 -7.395118019e-02 -1.103960941e-01 4.86 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