# 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 = Co3Pd # 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 2.060484936e+02 nan nan 1.16 1.881626143e+02 nan nan 1.18 1.718080611e+02 nan nan 1.20 1.568449218e+02 nan nan 1.22 1.431472185e+02 nan nan 1.24 1.306009001e+02 nan nan 1.26 1.191023462e+02 nan nan 1.28 1.085578841e+02 1.759563374e+02 2.043082724e+02 1.30 9.888345014e+01 1.617948905e+02 1.883584434e+02 1.32 9.000352450e+01 1.487408774e+02 1.736321092e+02 1.34 8.184974621e+01 1.367036831e+02 1.600275625e+02 1.36 7.436005559e+01 1.255996682e+02 1.474528899e+02 1.38 6.747829992e+01 1.153511332e+02 1.358256261e+02 1.40 6.115367506e+01 1.058865041e+02 1.250716044e+02 1.42 5.533981015e+01 9.714097085e+01 1.151231434e+02 1.44 4.999400622e+01 8.905660901e+01 1.059174548e+02 1.46 4.507701597e+01 8.158171789e+01 9.739604942e+01 1.48 4.055311531e+01 7.466967155e+01 8.950503496e+01 1.50 3.639436112e+01 6.827771156e+01 8.219542261e+01 1.52 3.259208503e+01 6.236603261e+01 7.542281816e+01 1.54 2.911907956e+01 5.689735539e+01 6.914660882e+01 1.56 2.594751825e+01 5.183691167e+01 6.332909451e+01 1.58 2.305199118e+01 4.715254357e+01 5.793498473e+01 1.60 2.040925606e+01 4.281470453e+01 5.293142797e+01 1.62 1.799803633e+01 3.879638093e+01 4.828832980e+01 1.64 1.579891901e+01 3.508012310e+01 4.397851619e+01 1.66 1.379429346e+01 3.165940425e+01 3.997753291e+01 1.68 1.196821238e+01 2.851223615e+01 3.626546766e+01 1.70 1.030614510e+01 2.561772391e+01 3.283862555e+01 1.72 8.794684890e+00 2.295652875e+01 2.967941246e+01 1.74 7.421288334e+00 2.051059929e+01 2.676777777e+01 1.76 6.174120490e+00 1.826303804e+01 2.408497052e+01 1.78 5.042048087e+00 1.619813667e+01 2.161347230e+01 1.80 4.014749358e+00 1.430148820e+01 1.933698323e+01 1.82 3.082845664e+00 1.256001930e+01 1.724042679e+01 1.84 2.237966207e+00 1.096187286e+01 1.530993357e+01 1.86 1.472713043e+00 9.496207135e+00 1.353277467e+01 1.88 7.805441388e-01 8.153012023e+00 1.189725217e+01 1.90 1.556211978e-01 6.922984298e+00 1.039259753e+01 1.92 -4.073296385e-01 5.797451766e+00 9.008917460e+00 1.94 -9.131210902e-01 4.768328038e+00 7.737162005e+00 1.96 -1.366175567e+00 3.828087847e+00 6.569061043e+00 1.98 -1.770577905e+00 2.969754214e+00 5.497018918e+00 2.00 -2.130122516e+00 2.186889575e+00 4.514004258e+00 2.02 -2.448360501e+00 1.473583973e+00 3.613473104e+00 2.04 -2.728645145e+00 8.244295151e-01 2.789336190e+00 2.06 -2.974169406e+00 2.344732368e-01 2.035955411e+00 2.08 -3.187987217e+00 -3.008443840e-01 1.348141758e+00 2.10 -3.373012518e+00 -7.857478225e-01 7.211317156e-01 2.12 -3.531996975e+00 -1.224168722e+00 1.505378143e-01 2.14 -3.667497484e+00 -1.619768451e+00 -3.677139336e-01 2.16 -3.781850629e+00 -1.975943748e+00 -8.374440135e-01 2.18 -3.877166115e+00 -2.295822014e+00 -1.262268169e+00 2.20 -3.955337754e+00 -2.582256344e+00 -1.645630830e+00 2.22 -4.018158803e+00 -2.837830675e+00 -1.990817003e+00 2.24 -4.067180092e+00 -3.064879649e+00 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-4.125988886e+00 -4.244264854e+00 2.62 -3.410461736e+00 -4.092041745e+00 -4.236844611e+00 2.64 -3.328354714e+00 -4.053307649e+00 -4.222701808e+00 2.66 -3.244935989e+00 -4.010200120e+00 -4.201974136e+00 2.68 -3.160804198e+00 -3.963125411e+00 -4.174777063e+00 2.70 -3.076534683e+00 -3.912433798e+00 -4.141308171e+00 2.72 -2.992641801e+00 -3.858412439e+00 -4.101841231e+00 2.74 -2.909555218e+00 -3.801307156e+00 -4.056727617e+00 2.76 -2.827612833e+00 -3.741342120e+00 -4.006423469e+00 2.78 -2.747065497e+00 -3.678734092e+00 -3.951443555e+00 2.80 -2.668086783e+00 -3.613701184e+00 -3.892336032e+00 2.82 -2.590783880e+00 -3.546467671e+00 -3.829676248e+00 2.84 -2.515208924e+00 -3.477266581e+00 -3.764058446e+00 2.86 -2.441371188e+00 -3.406341143e+00 -3.696082269e+00 2.88 -2.369249824e+00 -3.333945428e+00 -3.626331566e+00 2.90 -2.298805876e+00 -3.260344009e+00 -3.555346730e+00 2.92 -2.229992224e+00 -3.185810382e+00 -3.483596693e+00 2.94 -2.162760708e+00 -3.110624265e+00 -3.411459030e+00 2.96 -2.097066502e+00 -3.035068254e+00 -3.339214247e+00 2.98 -2.032870329e+00 -2.959424432e+00 -3.267054746e+00 3.00 -1.970139262e+00 -2.883970980e+00 -3.195103819e+00 3.02 -1.908846751e+00 -2.808977935e+00 -3.123437978e+00 3.04 -1.848972284e+00 -2.734700839e+00 -3.052107113e+00 3.06 -1.790500841e+00 -2.661371689e+00 -2.981149505e+00 3.08 -1.733422162e+00 -2.589188329e+00 -2.910601218e+00 3.10 -1.677729793e+00 -2.518305052e+00 -2.840500797e+00 3.12 -1.623419870e+00 -2.448827553e+00 -2.770890721e+00 3.14 -1.570489720e+00 -2.380814016e+00 -2.701816986e+00 3.16 -1.518936355e+00 -2.314281939e+00 -2.633327848e+00 3.18 -1.468755034e+00 -2.249218581e+00 -2.565472411e+00 3.20 -1.419938043e+00 -2.185592336e+00 -2.498299470e+00 3.22 -1.372473798e+00 -2.123362887e+00 -2.431856783e+00 3.24 -1.326346367e+00 -2.062488947e+00 -2.366190847e+00 3.26 -1.281535422e+00 -2.002933335e+00 -2.301347125e+00 3.28 -1.238016593e+00 -1.944665686e+00 -2.237370613e+00 3.30 -1.195762177e+00 -1.887663336e+00 -2.174306569e+00 3.32 -1.154742081e+00 -1.831910960e+00 -2.112201211e+00 3.34 -1.114924896e+00 -1.777399443e+00 -2.051102205e+00 3.36 -1.076278966e+00 -1.724124371e+00 -1.991058791e+00 3.38 -1.038773328e+00 -1.672084411e+00 -1.932121555e+00 3.40 -1.002378434e+00 -1.621279758e+00 -1.874341915e+00 3.42 -9.670665905e-01 -1.571710764e+00 -1.817771459e+00 3.44 -9.328120998e-01 -1.523376785e+00 -1.762461220e+00 3.46 -8.995911320e-01 -1.476275276e+00 -1.708460819e+00 3.48 -8.673813769e-01 -1.430401107e+00 -1.655817235e+00 3.50 -8.361615493e-01 -1.385746073e+00 -1.604572944e+00 3.52 -8.059108218e-01 -1.342298586e+00 -1.554763281e+00 3.54 -7.766082524e-01 -1.300043498e+00 -1.506413278e+00 3.56 -7.482322606e-01 -1.258962056e+00 -1.459534548e+00 3.58 -7.207601900e-01 -1.219031980e+00 -1.414123001e+00 3.60 -6.941679760e-01 -1.180227645e+00 -1.370158032e+00 3.62 -6.684299248e-01 -1.142520390e+00 -1.327603465e+00 3.64 -6.435185995e-01 -1.105878947e+00 -1.286410048e+00 3.66 -6.194047987e-01 -1.070269969e+00 -1.246519003e+00 3.68 -5.960576125e-01 -1.035658672e+00 -1.207865967e+00 3.70 -5.734445376e-01 -1.002009516e+00 -1.170384782e+00 3.72 -5.515316362e-01 -9.692869131e-01 -1.134010731e+00 3.74 -5.302837305e-01 -9.374558883e-01 -1.098683033e+00 3.76 -5.096646313e-01 -9.064826460e-01 -1.064346554e+00 3.78 -4.896374119e-01 -8.763349941e-01 -1.030952779e+00 3.80 -4.701647497e-01 -8.469826018e-01 -9.984601555e-01 3.82 -4.512093701e-01 -8.183970877e-01 -9.668339183e-01 3.84 -4.327346331e-01 -7.905519598e-01 -9.360455347e-01 3.86 -4.147053023e-01 -7.634224480e-01 -9.060718905e-01 3.88 -3.970885213e-01 -7.369852823e-01 -8.768943303e-01 3.90 -3.798549950e-01 -7.112184715e-01 -8.484976527e-01 3.92 -3.629803205e-01 -6.861011344e-01 -8.208691382e-01 3.94 -3.464463568e-01 -6.616134210e-01 -7.939976669e-01 3.96 -3.302424432e-01 -6.377365454e-01 -7.678729607e-01 3.98 -3.143662302e-01 -6.144529347e-01 -7.424849689e-01 4.00 -2.988238625e-01 -5.917464764e-01 -7.178233964e-01 4.02 -2.836293040e-01 -5.696028310e-01 -6.938773657e-01 4.04 -2.688027277e-01 -5.480097611e-01 -6.706351956e-01 4.06 -2.543680865e-01 -5.269574256e-01 -6.480842761e-01 4.08 -2.403501991e-01 -5.064385901e-01 -6.262110180e-01 4.10 -2.267718451e-01 -4.864487172e-01 -6.050008584e-01 4.12 -2.136514027e-01 -4.669859319e-01 -5.844383027e-01 4.14 -2.010014464e-01 -4.480508678e-01 -5.645069894e-01 4.16 -1.888284885e-01 -4.296464395e-01 -5.451897658e-01 4.18 -1.771337682e-01 -4.117775686e-01 -5.264687660e-01 4.20 -1.659147629e-01 -3.944508867e-01 -5.083254841e-01 4.22 -1.551669798e-01 -3.776743938e-01 -4.907408407e-01 4.24 -1.448855984e-01 -3.614570169e-01 -4.736952383e-01 4.26 -1.350666574e-01 -3.458079866e-01 -4.571686072e-01 4.28 -1.257076419e-01 -3.307359673e-01 -4.411404407e-01 4.30 -1.168074948e-01 -3.162479257e-01 -4.255898229e-01 4.32 -1.083661916e-01 -3.023478134e-01 -4.104954504e-01 4.34 -1.003840708e-01 -2.890352195e-01 -3.958356522e-01 4.36 -9.286109858e-02 -2.763042062e-01 -3.815884110e-01 4.38 -8.579619216e-02 -2.641425319e-01 -3.677313920e-01 4.40 -7.918665136e-02 -2.525314078e-01 -3.542419836e-01 4.42 -7.302769803e-02 -2.414458294e-01 -3.410973568e-01 4.44 -6.731209285e-02 -2.308554209e-01 -3.282745503e-01 4.46 -6.202980288e-02 -2.207256515e-01 -3.157505889e-01 4.48 -5.716774185e-02 -2.110192479e-01 -3.035026412e-01 4.50 -5.270961906e-02 -2.016976355e-01 -2.915082239e-01 4.52 -4.863595313e-02 -1.927222776e-01 -2.797454571e-01 4.54 -4.492428760e-02 -1.840558344e-01 -2.681933757e-01 4.56 -4.154961270e-02 -1.756631082e-01 -2.568322864e-01 4.58 -3.848498326e-02 -1.675117777e-01 -2.456441764e-01 4.60 -3.570216054e-02 -1.595729441e-01 -2.346131489e-01 4.62 -3.317258777e-02 -1.518215184e-01 -2.237258727e-01 4.64 -3.086817404e-02 -1.442364760e-01 -2.129720152e-01 4.66 -2.876177996e-02 -1.368009998e-01 -2.023446309e-01 4.68 -2.682777736e-02 -1.295025221e-01 -1.918404720e-01 4.70 -2.504246491e-02 -1.223326723e-01 -1.814601952e-01 4.72 -2.338434921e-02 -1.152871362e-01 -1.712084440e-01 4.74 -2.183431380e-02 -1.083654359e-01 -1.610938034e-01 4.76 -2.037570241e-02 -1.015706446e-01 -1.511286390e-01 4.78 -1.899431196e-02 -9.490905728e-02 -1.413288440e-01 4.80 -1.767831321e-02 -8.838984261e-02 -1.317135302e-01 4.82 -1.641843121e-02 -8.202469501e-02 -1.223046907e-01 4.84 -1.520773600e-02 -7.582749390e-02 -1.131268500e-01 4.86 -1.404151186e-02 -6.981396652e-02 -1.042066907e-01 4.88 -1.291710230e-02 -6.400132125e-02 -9.557261756e-02 4.90 -1.183370074e-02 -5.840781272e-02 -8.725420074e-02 4.92 -1.079207928e-02 -5.305219892e-02 -7.928143526e-02 4.94 -9.794254866e-03 -4.795305766e-02 -7.168377727e-02 4.96 -8.843102561e-03 -4.312796452e-02 -6.448896140e-02 4.98 -7.941936483e-03 -3.859257523e-02 -5.772165681e-02 5.00 -7.094088450e-03 -3.435968626e-02 -5.140208767e-02 5.02 -6.302519039e-03 -3.043837694e-02 -4.554477506e-02 5.04 -5.569494439e-03 -2.683334488e-02 -4.015755528e-02 5.06 -4.896354828e-03 -2.354434375e-02 -3.524101672e-02 5.08 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-2.128713179e-03 5.44 -2.436655825e-04 -1.205956736e-03 -1.806635926e-03 5.46 -2.061364197e-04 -1.023786808e-03 -1.533713126e-03 5.48 -1.744339723e-04 -8.694412174e-04 -1.302478167e-03 5.50 -1.476572768e-04 -7.386721743e-04 -1.106566574e-03 5.52 -1.250411719e-04 -6.278671132e-04 -9.405656282e-04 5.54 -1.059371956e-04 -5.339593022e-04 -7.998803111e-04 5.56 -8.979671589e-05 -4.543491374e-04 -6.806159398e-04 5.58 -7.615618217e-05 -3.868354665e-04 -5.794744130e-04 5.60 -6.462433610e-05 -3.295560984e-04 -4.936656645e-04 5.62 -5.487119334e-05 -2.809365689e-04 -4.208307422e-04 5.64 -4.661860170e-05 -2.396462298e-04 -3.589760113e-04 5.66 -3.963218499e-05 -2.045607586e-04 -3.064169793e-04 5.68 -3.371449339e-05 -1.747302508e-04 -2.617304853e-04 5.70 -2.869919616e-05 -1.493521319e-04 -2.237141131e-04 5.72 -2.444616952e-05 -1.277482088e-04 -1.913518041e-04 5.74 -2.083734904e-05 -1.093452576e-04 -1.637847721e-04 5.76 -1.777323287e-05 -9.365862463e-05 -1.402869310e-04 5.78 -1.516993684e-05 -8.027838502e-05 -1.202441567e-04 5.80 -1.295671647e-05 -6.885766930e-05 -1.031367956e-04 5.82 -1.107388313e-05 -5.910282205e-05 -8.852492000e-05 5.84 -9.471052396e-06 -5.076510823e-05 -7.603590160e-05 5.86 -8.105671933e-06 -4.363372452e-05 -6.535394045e-05 5.88 -6.941784555e-06 -3.752991048e-05 -5.621124207e-05 5.90 -5.948988755e-06 -3.230198595e-05 -4.838058219e-05 5.92 -5.101565133e-06 -2.782116821e-05 -4.166903996e-05 5.94 -4.377742078e-06 -2.397804537e-05 -3.591271430e-05 5.96 -3.759078328e-06 -2.067960203e-05 -3.097226772e-05 5.98 -3.229943630e-06 -1.784670973e-05 -2.672916664e-05 6.00 -2.777081742e-06 -1.541200867e-05 -2.308250772e-05