# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Mo # implementation = 2018--Jeong-G-U--Pd-Mo--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Mo Mo Mo Pd Pd Pd 0.02 2.276616157e+03 2.965894167e+03 7.208659229e+03 0.04 2.160235906e+03 2.821417014e+03 6.755898971e+03 0.06 2.049347898e+03 2.683066838e+03 6.330843010e+03 0.08 1.943754064e+03 2.550630839e+03 5.931830628e+03 0.10 1.843249296e+03 2.423904798e+03 5.557298933e+03 0.12 1.747625747e+03 2.302691218e+03 5.205777187e+03 0.14 1.656675991e+03 2.186798088e+03 4.875881459e+03 0.16 1.570195315e+03 2.076038091e+03 4.566309580e+03 0.18 1.487983352e+03 1.970228114e+03 4.275836390e+03 0.20 1.409845217e+03 1.869188983e+03 4.003309258e+03 0.22 1.335592257e+03 1.772745335e+03 3.747643854e+03 0.24 1.265042530e+03 1.680725586e+03 3.507820169e+03 0.26 1.198021057e+03 1.592961958e+03 3.282878761e+03 0.28 1.134359937e+03 1.509290531e+03 3.071917217e+03 0.30 1.073898333e+03 1.429551323e+03 2.874086819e+03 0.32 1.016482383e+03 1.353588361e+03 2.688589402e+03 0.34 9.619650534e+02 1.281249753e+03 2.514674393e+03 0.36 9.102059521e+02 1.212387746e+03 2.351636018e+03 0.38 8.610711125e+02 1.146858778e+03 2.198810678e+03 0.40 8.144327648e+02 1.084523505e+03 2.055574465e+03 0.42 7.701690977e+02 1.025246826e+03 1.921340836e+03 0.44 7.281640161e+02 9.688978818e+02 1.795558404e+03 0.46 6.883069008e+02 9.153500476e+02 1.677708876e+03 0.48 6.504923701e+02 8.644809087e+02 1.567305096e+03 0.50 6.146200483e+02 8.161722259e+02 1.463889208e+03 0.52 5.805943398e+02 7.703098898e+02 1.367030925e+03 0.54 5.483242117e+02 7.267838660e+02 1.276325897e+03 0.56 5.177229835e+02 6.854881308e+02 1.191394177e+03 0.58 4.887081259e+02 6.463206008e+02 1.111878773e+03 0.60 4.612010677e+02 6.091830557e+02 1.037444287e+03 0.62 4.351270104e+02 5.739810554e+02 9.677756331e+02 0.64 4.104147520e+02 5.406238537e+02 9.025768263e+02 0.66 3.869965177e+02 5.090243076e+02 8.415698500e+02 0.68 3.648077989e+02 4.790987837e+02 7.844935828e+02 0.70 3.437871993e+02 4.507670632e+02 7.311027918e+02 0.72 3.238762881e+02 4.239522444e+02 6.811671834e+02 0.74 3.050194599e+02 3.985806446e+02 6.344705107e+02 0.76 2.871638015e+02 3.745817017e+02 5.908097330e+02 0.78 2.702589642e+02 3.518878751e+02 5.499942246e+02 0.80 2.542570429e+02 3.304345471e+02 5.118450305e+02 0.82 2.391124599e+02 3.101599253e+02 4.761941658e+02 0.84 2.247818550e+02 2.910049451e+02 4.428839563e+02 0.86 2.112239803e+02 2.729131739e+02 4.117664184e+02 0.88 1.983995994e+02 2.558307164e+02 3.827026754e+02 0.90 1.862713927e+02 2.397061220e+02 3.555624084e+02 0.92 1.748038655e+02 2.244902928e+02 3.302233397e+02 0.94 1.639632617e+02 2.101363947e+02 3.065707471e+02 0.96 1.537174805e+02 1.965997698e+02 2.844970065e+02 0.98 1.440359980e+02 1.838378506e+02 2.639011622e+02 1.00 1.348897914e+02 1.718100772e+02 2.446885226e+02 1.02 1.262512679e+02 1.604778161e+02 2.267702799e+02 1.04 1.180941956e+02 1.498042812e+02 2.100631524e+02 1.06 1.103936392e+02 1.397544573e+02 1.944890488e+02 1.08 1.031258969e+02 1.302950261e+02 1.799747511e+02 1.10 9.626844214e+01 1.213942937e+02 1.664516185e+02 1.12 8.979986649e+01 1.130221217e+02 1.538553070e+02 1.14 8.369982624e+01 1.051498592e+02 1.421255075e+02 1.16 7.794899102e+01 9.775027781e+01 1.312056982e+02 1.18 7.252899498e+01 9.079750925e+01 1.210429130e+02 1.20 6.742239027e+01 8.426698428e+01 1.115875235e+02 1.22 6.261260266e+01 7.813537450e+01 1.027930332e+02 1.24 5.808388931e+01 7.238053603e+01 9.461588600e+01 1.26 5.382129850e+01 6.698145540e+01 8.701528421e+01 1.28 4.981063123e+01 6.191819744e+01 7.995301907e+01 1.30 4.603840475e+01 5.717185520e+01 7.339331072e+01 1.32 4.249181765e+01 5.272450192e+01 6.730265819e+01 1.34 3.915871677e+01 4.855914479e+01 6.164969832e+01 1.36 3.602756555e+01 4.465968069e+01 5.640507333e+01 1.38 3.308741395e+01 4.101085371e+01 5.154130644e+01 1.40 3.032786979e+01 3.759821441e+01 4.703268497e+01 1.42 2.773907141e+01 3.440808081e+01 4.285515067e+01 1.44 2.531166172e+01 3.142750107e+01 3.898619665e+01 1.46 2.303676338e+01 2.864421771e+01 3.540477063e+01 1.48 2.090595526e+01 2.604663340e+01 3.209118411e+01 1.50 1.891124994e+01 2.362377830e+01 2.902702710e+01 1.52 1.704507235e+01 2.136527876e+01 2.619508805e+01 1.54 1.530023942e+01 1.926132750e+01 2.357927868e+01 1.56 1.366994064e+01 1.730265504e+01 2.116456350e+01 1.58 1.214771967e+01 1.548050251e+01 1.893689355e+01 1.60 1.072745673e+01 1.378659565e+01 1.688314429e+01 1.62 9.403351878e+00 1.221312005e+01 1.499105735e+01 1.64 8.169909085e+00 1.075269746e+01 1.324918575e+01 1.66 7.021921100e+00 9.398363309e+00 1.164684262e+01 1.68 5.954455007e+00 8.143545229e+00 1.017405306e+01 1.70 4.962838505e+00 6.982042577e+00 8.821508930e+00 1.72 4.042646838e+00 5.908006980e+00 7.580526509e+00 1.74 3.189690362e+00 4.915923783e+00 6.443006742e+00 1.76 2.400002712e+00 4.000594406e+00 5.401397963e+00 1.78 1.669829532e+00 3.157119556e+00 4.448660942e+00 1.80 9.956177586e-01 2.380883259e+00 3.578236097e+00 1.82 3.740054102e-01 1.667537676e+00 2.784012752e+00 1.84 -1.981881260e-01 1.012988673e+00 2.060300312e+00 1.86 -7.239713433e-01 4.133821068e-01 1.401801225e+00 1.88 -1.206189416e+00 -1.349092059e-01 8.035856388e-01 1.90 -1.647532572e+00 -6.352978585e-01 2.610676301e-01 1.92 -2.050544051e+00 -1.090993605e+00 -2.300170858e-01 1.94 -2.417627663e+00 -1.505014514e+00 -6.736320572e-01 1.96 -2.751054958e+00 -1.880197548e+00 -1.073459701e+00 1.98 -3.052972013e+00 -2.219208605e+00 -1.432919695e+00 2.00 -3.325405852e+00 -2.524552046e+00 -1.755186226e+00 2.02 -3.570270507e+00 -2.798579718e+00 -2.043204186e+00 2.04 -3.789372732e+00 -3.043499521e+00 -2.299704360e+00 2.06 -3.984417393e+00 -3.261383517e+00 -2.527217700e+00 2.08 -4.157012555e+00 -3.454175620e+00 -2.728088720e+00 2.10 -4.308674290e+00 -3.623698876e+00 -2.904488079e+00 2.12 -4.440831242e+00 -3.771662364e+00 -3.058424418e+00 2.14 -4.554828975e+00 -3.899667720e+00 -3.191755474e+00 2.16 -4.651934148e+00 -4.009215323e+00 -3.306198544e+00 2.18 -4.733338530e+00 -4.101710139e+00 -3.403340315e+00 2.20 -4.800162907e+00 -4.178467261e+00 -3.484646127e+00 2.22 -4.853460871e+00 -4.240717135e+00 -3.551468674e+00 2.24 -4.894222521e+00 -4.289610511e+00 -3.605056199e+00 2.26 -4.923378078e+00 -4.326223118e+00 -3.646560198e+00 2.28 -4.941801393e+00 -4.351560080e+00 -3.677042653e+00 2.30 -4.950313353e+00 -4.366560086e+00 -3.697482835e+00 2.32 -4.949685149e+00 -4.372099329e+00 -3.708783675e+00 2.34 -4.940641396e+00 -4.368995220e+00 -3.711777729e+00 2.36 -4.923863080e+00 -4.358009898e+00 -3.707232748e+00 2.38 -4.899990303e+00 -4.339853544e+00 -3.695856871e+00 2.40 -4.869624828e+00 -4.315187508e+00 -3.678303445e+00 2.42 -4.833332401e+00 -4.284627268e+00 -3.655175482e+00 2.44 -4.791644850e+00 -4.248745231e+00 -3.627029778e+00 2.46 -4.745061976e+00 -4.208073385e+00 -3.594380682e+00 2.48 -4.694053238e+00 -4.163105810e+00 -3.557703547e+00 2.50 -4.639059253e+00 -4.114301058e+00 -3.517437866e+00 2.52 -4.580493134e+00 -4.062084405e+00 -3.473990115e+00 2.54 -4.518741692e+00 -4.006849972e+00 -3.427736314e+00 2.56 -4.454166512e+00 -3.948962726e+00 -3.379024326e+00 2.58 -4.387104947e+00 -3.888760340e+00 -3.328175919e+00 2.60 -4.317871029e+00 -3.826554933e+00 -3.275488612e+00 2.62 -4.246756312e+00 -3.762634664e+00 -3.221237325e+00 2.64 -4.174030670e+00 -3.697265201e+00 -3.165675859e+00 2.66 -4.099943019e+00 -3.630691058e+00 -3.109038228e+00 2.68 -4.024721995e+00 -3.563136805e+00 -3.051539873e+00 2.70 -3.948576524e+00 -3.494808179e+00 -2.993378765e+00 2.72 -3.871696296e+00 -3.425893092e+00 -2.934736435e+00 2.74 -3.794252072e+00 -3.356562568e+00 -2.875778929e+00 2.76 -3.716395780e+00 -3.286971624e+00 -2.816657718e+00 2.78 -3.638260310e+00 -3.217260108e+00 -2.757510567e+00 2.80 -3.559958889e+00 -3.147553506e+00 -2.698462367e+00 2.82 -3.481583878e+00 -3.077963731e+00 -2.639625950e+00 2.84 -3.403204746e+00 -3.008589875e+00 -2.581102876e+00 2.86 -3.324864872e+00 -2.939518937e+00 -2.522984195e+00 2.88 -3.246576671e+00 -2.870826488e+00 -2.465351195e+00 2.90 -3.168314255e+00 -2.802577275e+00 -2.408276118e+00 2.92 -3.090002472e+00 -2.734825720e+00 -2.351822855e+00 2.94 -3.011500521e+00 -2.667616323e+00 -2.296047602e+00 2.96 -2.932577388e+00 -2.600983932e+00 -2.240999494e+00 2.98 -2.852874862e+00 -2.534953883e+00 -2.186721197e+00 3.00 -2.771851641e+00 -2.469542027e+00 -2.133249462e+00 3.02 -2.688698935e+00 -2.404754623e+00 -2.080615650e+00 3.04 -2.602214110e+00 -2.340588144e+00 -2.028846209e+00 3.06 -2.510616230e+00 -2.277029004e+00 -1.977963119e+00 3.08 -2.411292250e+00 -2.214053230e+00 -1.927984302e+00 3.10 -2.300493973e+00 -2.151626118e+00 -1.878924001e+00 3.12 -2.173108756e+00 -2.089701913e+00 -1.830793116e+00 3.14 -2.022879901e+00 -2.028223569e+00 -1.783599525e+00 3.16 -1.843886616e+00 -1.967122673e+00 -1.737348372e+00 3.18 -1.634309765e+00 -1.906319638e+00 -1.692042324e+00 3.20 -1.402088210e+00 -1.845724352e+00 -1.647681821e+00 3.22 -1.167922767e+00 -1.785237477e+00 -1.604265293e+00 3.24 -9.590249228e-01 -1.724752702e+00 -1.561789361e+00 3.26 -7.954735073e-01 -1.664160291e+00 -1.520249027e+00 3.28 -6.815344524e-01 -1.603352334e+00 -1.479637844e+00 3.30 -6.085648537e-01 -1.542230093e+00 -1.439948071e+00 3.32 -5.633671440e-01 -1.480713756e+00 -1.401170818e+00 3.34 -5.343677586e-01 -1.418754728e+00 -1.363296182e+00 3.36 -5.137464924e-01 -1.356350138e+00 -1.326313362e+00 3.38 -4.970765830e-01 -1.293558664e+00 -1.290210775e+00 3.40 -4.821909741e-01 -1.230515949e+00 -1.254976158e+00 3.42 -4.681613804e-01 -1.167447024e+00 -1.220596658e+00 3.44 -4.546377668e-01 -1.104672483e+00 -1.187058920e+00 3.46 -4.415020449e-01 -1.042605065e+00 -1.154349166e+00 3.48 -4.287160342e-01 -9.817341311e-01 -1.122453264e+00 3.50 -4.162651080e-01 -9.225974383e-01 -1.091356793e+00 3.52 -4.041405779e-01 -8.657423637e-01 -1.061045104e+00 3.54 -3.923350747e-01 -8.116815389e-01 -1.031503371e+00 3.56 -3.808415416e-01 -7.608497821e-01 -1.002716645e+00 3.58 -3.696530531e-01 -7.135694080e-01 -9.746698903e-01 3.60 -3.587627892e-01 -6.700292804e-01 -9.473480312e-01 3.62 -3.481640324e-01 -6.302799087e-01 -9.207359849e-01 3.64 -3.378501681e-01 -5.942435342e-01 -8.948186948e-01 3.66 -3.278146849e-01 -5.617355457e-01 -8.695811594e-01 3.68 -3.180511742e-01 -5.324922870e-01 -8.450084586e-01 3.70 -3.085533312e-01 -5.062004084e-01 -8.210857770e-01 3.72 -2.993149542e-01 -4.825239355e-01 -7.977984247e-01 3.74 -2.903299451e-01 -4.611266682e-01 -7.751318555e-01 3.76 -2.815923092e-01 -4.416888941e-01 -7.530716835e-01 3.78 -2.730961547e-01 -4.239184623e-01 -7.316036971e-01 3.80 -2.648356932e-01 -4.075569264e-01 -7.107138715e-01 3.82 -2.568052385e-01 -3.923817699e-01 -6.903883795e-01 3.84 -2.489992072e-01 -3.782057856e-01 -6.706136011e-01 3.86 -2.414121174e-01 -3.648745741e-01 -6.513761308e-01 3.88 -2.340385890e-01 -3.522629586e-01 -6.326627846e-01 3.90 -2.268733425e-01 -3.402709189e-01 -6.144606056e-01 3.92 -2.199111988e-01 -3.288194758e-01 -5.967568681e-01 3.94 -2.131470786e-01 -3.178468054e-01 -5.795390813e-01 3.96 -2.065760013e-01 -3.073047513e-01 -5.627949918e-01 3.98 -2.001930846e-01 -2.971558134e-01 -5.465125855e-01 4.00 -1.939935436e-01 -2.873706339e-01 -5.306800890e-01 4.02 -1.879726899e-01 -2.779259583e-01 -5.152859696e-01 4.04 -1.821259309e-01 -2.688030277e-01 -5.003189356e-01 4.06 -1.764487684e-01 -2.599863424e-01 -4.857679354e-01 4.08 -1.709367983e-01 -2.514627375e-01 -4.716221570e-01 4.10 -1.655857091e-01 -2.432207060e-01 -4.578710260e-01 4.12 -1.603912810e-01 -2.352499187e-01 -4.445042038e-01 4.14 -1.553493848e-01 -2.275408898e-01 -4.315115861e-01 4.16 -1.504559812e-01 -2.200847513e-01 -4.188832996e-01 4.18 -1.457071188e-01 -2.128731031e-01 -4.066096999e-01 4.20 -1.410989340e-01 -2.058979169e-01 -3.946813685e-01 4.22 -1.366276490e-01 -1.991514741e-01 -3.830891094e-01 4.24 -1.322895711e-01 -1.926263276e-01 -3.718239463e-01 4.26 -1.280810913e-01 -1.863152769e-01 -3.608771190e-01 4.28 -1.239986832e-01 -1.802113520e-01 -3.502400797e-01 4.30 -1.200389015e-01 -1.743078026e-01 -3.399044898e-01 4.32 -1.161983812e-01 -1.685980895e-01 -3.298622157e-01 4.34 -1.124738360e-01 -1.630758782e-01 -3.201053256e-01 4.36 -1.088620570e-01 -1.577350327e-01 -3.106260853e-01 4.38 -1.053599119e-01 -1.525696101e-01 -3.014169546e-01 4.40 -1.019643431e-01 -1.475738553e-01 -2.924705833e-01 4.42 -9.835686782e-02 -1.423340848e-01 -2.830438555e-01 4.44 -9.065501534e-02 -1.318037977e-01 -2.639678942e-01 4.46 -6.999250444e-02 -1.040925931e-01 -2.128602081e-01 4.48 -3.115859857e-02 -4.990366631e-02 -1.079698667e-01 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 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