# 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 = Au3W # 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 4.964464102e+02 nan nan 1.16 4.577052174e+02 nan nan 1.18 4.221071044e+02 nan nan 1.20 3.893602168e+02 nan nan 1.22 3.592013153e+02 nan nan 1.24 3.313970451e+02 nan nan 1.26 3.057444501e+02 nan nan 1.28 2.820687049e+02 4.318203762e+02 4.932005343e+02 1.30 2.602168432e+02 4.008264640e+02 4.584701728e+02 1.32 2.400497063e+02 3.720784610e+02 4.262749370e+02 1.34 2.214361310e+02 3.454066636e+02 3.964260574e+02 1.36 2.042509297e+02 3.206626540e+02 3.687463730e+02 1.38 1.883752204e+02 2.977122004e+02 3.430670811e+02 1.40 1.736973809e+02 2.764290526e+02 3.192279790e+02 1.42 1.601141953e+02 2.566912255e+02 2.970790025e+02 1.44 1.475321619e+02 2.383804867e+02 2.764817233e+02 1.46 1.358683916e+02 2.213839452e+02 2.573104007e+02 1.48 1.250504271e+02 2.055957785e+02 2.394523135e+02 1.50 1.150148909e+02 1.909181046e+02 2.228073491e+02 1.52 1.057054329e+02 1.772612058e+02 2.072870499e+02 1.54 9.707061338e+01 1.645434458e+02 1.928131376e+02 1.56 8.906222711e+01 1.526908470e+02 1.793154932e+02 1.58 8.163438952e+01 1.416363253e+02 1.667298488e+02 1.60 7.474341728e+01 1.313188435e+02 1.549956616e+02 1.62 6.834816077e+01 1.216827311e+02 1.440546840e+02 1.64 6.241028744e+01 1.126772102e+02 1.338505393e+02 1.66 5.689430320e+01 1.042560478e+02 1.243291259e+02 1.68 5.176793510e+01 9.637725947e+01 1.154392736e+02 1.70 4.700255396e+01 8.900285263e+01 1.071331682e+02 1.72 4.260150290e+01 8.209865289e+01 9.936646773e+01 1.74 3.854709586e+01 7.563419379e+01 9.209828482e+01 1.76 3.481166320e+01 6.958252151e+01 8.529113714e+01 1.78 3.137038170e+01 6.391972991e+01 7.891083694e+01 1.80 2.820093267e+01 5.862419521e+01 7.292627863e+01 1.82 2.528310418e+01 5.367593430e+01 6.730916659e+01 1.84 2.259842383e+01 4.905592562e+01 6.203376853e+01 1.86 2.012988105e+01 4.475897047e+01 5.707692546e+01 1.88 1.786175244e+01 4.079048610e+01 5.241807061e+01 1.90 1.577948866e+01 3.712826732e+01 4.803819984e+01 1.92 1.386958963e+01 3.374930269e+01 4.393526079e+01 1.94 1.211942657e+01 3.063190805e+01 4.011722525e+01 1.96 1.051704340e+01 2.775585703e+01 3.656722967e+01 1.98 9.051012786e+00 2.510238439e+01 3.326934275e+01 2.00 7.710399600e+00 2.265410703e+01 3.020873248e+01 2.02 6.484827869e+00 2.039491308e+01 2.737136567e+01 2.04 5.364600316e+00 1.830985417e+01 2.474370636e+01 2.06 4.340807048e+00 1.638505777e+01 2.231249679e+01 2.08 3.405377035e+00 1.460766316e+01 2.006468140e+01 2.10 2.551056869e+00 1.296577903e+01 1.798747774e+01 2.12 1.771329428e+00 1.144845866e+01 1.606854489e+01 2.14 1.060301874e+00 1.004568582e+01 1.429617403e+01 2.16 4.125959149e-01 8.748360229e+00 1.265943648e+01 2.18 -1.767350512e-01 7.548269660e+00 1.114825507e+01 2.20 -7.122489011e-01 6.438040657e+00 9.753397529e+00 2.22 -1.198044912e+00 5.411068001e+00 8.466411626e+00 2.24 -1.638048673e+00 4.461429751e+00 7.279531004e+00 2.26 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-4.654423063e+00 -4.038705049e+00 -3.428539299e+00 2.64 -4.645206120e+00 -4.173315013e+00 -3.626719211e+00 2.66 -4.626732573e+00 -4.289665570e+00 -3.804554429e+00 2.68 -4.599489994e+00 -4.389034203e+00 -3.963058779e+00 2.70 -4.564001041e+00 -4.472609647e+00 -4.103232113e+00 2.72 -4.520805795e+00 -4.541486210e+00 -4.226054350e+00 2.74 -4.470443084e+00 -4.596666049e+00 -4.332482725e+00 2.76 -4.413430701e+00 -4.639066852e+00 -4.423452862e+00 2.78 -4.350227288e+00 -4.669531817e+00 -4.499882982e+00 2.80 -4.281242334e+00 -4.688839595e+00 -4.562680241e+00 2.82 -4.206848836e+00 -4.697781759e+00 -4.612747469e+00 2.84 -4.127381771e+00 -4.697040903e+00 -4.650987888e+00 2.86 -4.043141079e+00 -4.687116020e+00 -4.678304975e+00 2.88 -3.954399220e+00 -4.668636011e+00 -4.695595148e+00 2.90 -3.861412608e+00 -4.642027550e+00 -4.703732670e+00 2.92 -3.764435896e+00 -4.607634585e+00 -4.703549600e+00 2.94 -3.663737930e+00 -4.565847195e+00 -4.696009595e+00 2.96 -3.559618225e+00 -4.517089156e+00 -4.681748596e+00 2.98 -3.452422785e+00 -4.461832192e+00 -4.661125551e+00 3.00 -3.342557844e+00 -4.400604674e+00 -4.634459918e+00 3.02 -3.230499848e+00 -4.333985095e+00 -4.602029434e+00 3.04 -3.116799832e+00 -4.262580504e+00 -4.564074697e+00 3.06 -3.002080477e+00 -4.187004553e+00 -4.520807466e+00 3.08 -2.887024807e+00 -4.107868242e+00 -4.472419908e+00 3.10 -2.772356497e+00 -4.025755644e+00 -4.419084287e+00 3.12 -2.658813176e+00 -3.941200386e+00 -4.360948219e+00 3.14 -2.547115378e+00 -3.854667877e+00 -4.298159771e+00 3.16 -2.437934739e+00 -3.766545559e+00 -4.230873016e+00 3.18 -2.331865245e+00 -3.677141783e+00 -4.159248516e+00 3.20 -2.229400852e+00 -3.586692209e+00 -4.083453469e+00 3.22 -2.130921623e+00 -3.495371663e+00 -4.003662174e+00 3.24 -2.036689113e+00 -3.403309113e+00 -3.920057364e+00 3.26 -1.946850326e+00 -3.310603735e+00 -3.832832846e+00 3.28 -1.861448552e+00 -3.217340612e+00 -3.742197657e+00 3.30 -1.780438802e+00 -3.123605142e+00 -3.648381682e+00 3.32 -1.703705546e+00 -3.029495642e+00 -3.551642446e+00 3.34 -1.631080719e+00 -2.935133753e+00 -3.452272450e+00 3.36 -1.562360484e+00 -2.840672335e+00 -3.350606182e+00 3.38 -1.497319784e+00 -2.746300481e+00 -3.247025762e+00 3.40 -1.435724238e+00 -2.652245269e+00 -3.141964051e+00 3.42 -1.377339301e+00 -2.558769990e+00 -3.035904171e+00 3.44 -1.321936906e+00 -2.466168751e+00 -2.929374593e+00 3.46 -1.269299902e+00 -2.374757730e+00 -2.822939390e+00 3.48 -1.219224729e+00 -2.284863685e+00 -2.717183812e+00 3.50 -1.171522706e+00 -2.196810706e+00 -2.612695953e+00 3.52 -1.126020325e+00 -2.110906470e+00 -2.510045959e+00 3.54 -1.082558815e+00 -2.027429298e+00 -2.409764608e+00 3.56 -1.040993271e+00 -1.946617260e+00 -2.312323459e+00 3.58 -1.001191507e+00 -1.868660221e+00 -2.218118578e+00 3.60 -9.630327762e-01 -1.793695337e+00 -2.127459448e+00 3.62 -9.264064645e-01 -1.721806054e+00 -2.040563950e+00 3.64 -8.912108199e-01 -1.653024265e+00 -1.957559438e+00 3.66 -8.573517666e-01 -1.587334987e+00 -1.878489137e+00 3.68 -8.247418333e-01 -1.524682786e+00 -1.803322554e+00 3.70 -7.932992204e-01 -1.464979148e+00 -1.731968305e+00 3.72 -7.629470211e-01 -1.408110084e+00 -1.664287848e+00 3.74 -7.336126119e-01 -1.353943424e+00 -1.600108842e+00 3.76 -7.052272276e-01 -1.302335388e+00 -1.539237256e+00 3.78 -6.777257330e-01 -1.253136230e+00 -1.481467697e+00 3.80 -6.510466076e-01 -1.206194851e+00 -1.426591778e+00 3.82 -6.251321517e-01 -1.161362404e+00 -1.374404555e+00 3.84 -5.999289206e-01 -1.118494970e+00 -1.324709215e+00 3.86 -5.753883819e-01 -1.077455411e+00 -1.277320253e+00 3.88 -5.514677707e-01 -1.038114549e+00 -1.232065432e+00 3.90 -5.281310966e-01 -1.000351781e+00 -1.188786756e+00 3.92 -5.053502187e-01 -9.640552739e-01 -1.147340690e+00 3.94 -4.831058734e-01 -9.291218366e-01 -1.107597842e+00 3.96 -4.613884853e-01 -8.954565732e-01 -1.069442221e+00 3.98 -4.401985889e-01 -8.629724110e-01 -1.032770266e+00 4.00 -4.195466562e-01 -8.315895743e-01 -9.974896937e-01 4.02 -3.994521728e-01 -8.012350740e-01 -9.635182947e-01 4.04 -3.799418711e-01 -7.718422680e-01 -9.307827183e-01 4.06 -3.610471526e-01 -7.433505393e-01 -8.992173072e-01 4.08 -3.428008697e-01 -7.157051189e-01 -8.687630128e-01 4.10 -3.252337801e-01 -6.888570689e-01 -8.393664124e-01 4.12 -3.083710844e-01 -6.627634390e-01 -8.109788378e-01 4.14 -2.922294782e-01 -6.373875258e-01 -7.835556180e-01 4.16 -2.768150928e-01 -6.126992500e-01 -7.570554292e-01 4.18 -2.621225555e-01 -5.886755282e-01 -7.314397448e-01 4.20 -2.481352288e-01 -5.653005633e-01 -7.066723727e-01 4.22 -2.348265247e-01 -5.425659385e-01 -6.827190686e-01 4.24 -2.221620229e-01 -5.204703978e-01 -6.595472123e-01 4.26 -2.101021185e-01 -4.990192140e-01 -6.371255369e-01 4.28 -1.986048494e-01 -4.782230839e-01 -6.154238999e-01 4.30 -1.876286285e-01 -4.580965474e-01 -5.944130891e-01 4.32 -1.771346583e-01 -4.386560070e-01 -5.740646542e-01 4.34 -1.670888678e-01 -4.199174946e-01 -5.543507615e-01 4.36 -1.574632722e-01 -4.018943945e-01 -5.352440641e-01 4.38 -1.482367116e-01 -3.845953569e-01 -5.167175876e-01 4.40 -1.393949496e-01 -3.680226183e-01 -4.987446272e-01 4.42 -1.309301774e-01 -3.521708930e-01 -4.812986555e-01 4.44 -1.228399840e-01 -3.370269114e-01 -4.643532423e-01 4.46 -1.151259123e-01 -3.225695940e-01 -4.478819849e-01 4.48 -1.077917487e-01 -3.087707679e-01 -4.318584533e-01 4.50 -1.008417265e-01 -2.955962797e-01 -4.162561505e-01 4.52 -9.427882595e-02 -2.830073408e-01 -4.010484904e-01 4.54 -8.810333867e-02 -2.709619465e-01 -3.862088171e-01 4.56 -8.231182274e-02 -2.594162442e-01 -3.717104212e-01 4.58 -7.689651681e-02 -2.483257629e-01 -3.575266289e-01 4.60 -7.184521900e-02 -2.376464610e-01 -3.436309207e-01 4.62 -6.714158025e-02 -2.273355803e-01 -3.299971077e-01 4.64 -6.276572124e-02 -2.173523243e-01 -3.165995743e-01 4.66 -5.869506249e-02 -2.076583930e-01 -3.034135943e-01 4.68 -5.490525914e-02 -1.982184128e-01 -2.904157296e-01 4.70 -5.137114251e-02 -1.890003012e-01 -2.775843163e-01 4.72 -4.806739530e-02 -1.799756012e-01 -2.649000396e-01 4.74 -4.496974747e-02 -1.711198096e-01 -2.523465911e-01 4.76 -4.205554046e-02 -1.624127124e-01 -2.399113943e-01 4.78 -3.930396305e-02 -1.538387280e-01 -2.275863708e-01 4.80 -3.669645519e-02 -1.453872439e-01 -2.153687090e-01 4.82 -3.421697228e-02 -1.370529258e-01 -2.032615784e-01 4.84 -3.185212767e-02 -1.288359395e-01 -1.912747233e-01 4.86 -2.959122823e-02 -1.207420670e-01 -1.794248565e-01 4.88 -2.742621400e-02 -1.127826389e-01 -1.677357719e-01 4.90 -2.535150991e-02 -1.049742452e-01 -1.562380997e-01 4.92 -2.336379622e-02 -9.733818325e-02 -1.449686466e-01 4.94 -2.146170328e-02 -8.989962640e-02 -1.339692964e-01 4.96 -1.964521965e-02 -8.268652379e-02 -1.232854869e-01 4.98 -1.791567683e-02 -7.572827417e-02 -1.129643291e-01 5.00 -1.627532521e-02 -6.905425132e-02 -1.030524852e-01 5.02 -1.472669029e-02 -6.269228359e-02 -9.359395993e-02 5.04 -1.327215756e-02 -5.666720314e-02 -8.462798126e-02 5.06 -1.191361093e-02 -5.099958116e-02 -7.618714767e-02 5.08 -1.065214634e-02 -4.570474739e-02 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-3.937660857e-03 -5.895577307e-03 5.46 -7.801248576e-04 -3.394010111e-03 -5.081622953e-03 5.48 -6.722353550e-04 -2.924869628e-03 -4.379215180e-03 5.50 -5.792224228e-04 -2.520342354e-03 -3.773541885e-03 5.52 -4.990815411e-04 -2.171743650e-03 -3.251603742e-03 5.54 -4.300618990e-04 -1.871481937e-03 -2.802035712e-03 5.56 -3.706390612e-04 -1.612942771e-03 -2.414937109e-03 5.58 -3.194892287e-04 -1.390379047e-03 -2.081702867e-03 5.60 -2.754654225e-04 -1.198808972e-03 -1.794874291e-03 5.62 -2.375757520e-04 -1.033922679e-03 -1.547998530e-03 5.64 -2.049638059e-04 -8.919977480e-04 -1.335502181e-03 5.66 -1.768911200e-04 -7.698235378e-04 -1.152578046e-03 5.68 -1.527216193e-04 -6.646339265e-04 -9.950844631e-04 5.70 -1.319078980e-04 -5.740479300e-04 -8.594564152e-04 5.72 -1.139791825e-04 -4.960175526e-04 -7.426274568e-04 5.74 -9.853081820e-05 -4.287821967e-04 -6.419614599e-04 5.76 -8.521511826e-05 -3.708289573e-04 -5.551931658e-04 5.78 -7.373342399e-05 -3.208581498e-04 -4.803765715e-04 5.80 -6.382923287e-05 -2.777534603e-04 -4.158402373e-04 5.82 -5.528226356e-05 -2.405561563e-04 -3.601486708e-04 5.84 -4.790333900e-05 -2.084428430e-04 -3.120690228e-04 5.86 -4.152998119e-05 -1.807063099e-04 -2.705424070e-04 5.88 -3.602262324e-05 -1.567390556e-04 -2.346592327e-04 5.90 -3.126135520e-05 -1.360191326e-04 -2.036380086e-04 5.92 -2.714313061e-05 -1.180979931e-04 -1.768071451e-04 5.94 -2.357936989e-05 -1.025900612e-04 -1.535893393e-04 5.96 -2.049390519e-05 -8.916378854e-05 -1.334881833e-04 5.98 -1.782121855e-05 -7.753398656e-05 -1.160766829e-04 6.00 -1.550493179e-05 -6.745525341e-05 -1.009874152e-04