# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Mo # implementation = 2017--Kim-J-S--Pt-Mo--LAMMPS--ipr1 # composition = Mo3Pt # 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 2024-11-27 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 7.206905002e+02 nan nan 0.86 6.784450266e+02 nan nan 0.88 6.383531021e+02 nan nan 0.90 6.003246403e+02 nan nan 0.92 5.642717725e+02 6.785746562e+02 nan 0.94 5.301089485e+02 6.421556106e+02 8.854331008e+02 0.96 4.977530150e+02 6.074267494e+02 8.391204111e+02 0.98 4.671232753e+02 5.743252336e+02 7.949395006e+02 1.00 4.381415296e+02 5.427893428e+02 7.528076267e+02 1.02 4.107321015e+02 5.127585795e+02 7.126442230e+02 1.04 3.848218493e+02 4.841737559e+02 6.743709292e+02 1.06 3.603401661e+02 4.569770656e+02 6.379116091e+02 1.08 3.372189689e+02 4.311121424e+02 6.031923612e+02 1.10 3.153926780e+02 4.065241058e+02 5.701415189e+02 1.12 2.947981893e+02 3.831595961e+02 5.386896445e+02 1.14 2.753748383e+02 3.609667995e+02 5.087695165e+02 1.16 2.570643596e+02 3.398954643e+02 4.803161105e+02 1.18 2.398108403e+02 3.198969095e+02 4.532665753e+02 1.20 2.235606692e+02 3.009240262e+02 4.275602043e+02 1.22 2.082624833e+02 2.829312730e+02 4.031384032e+02 1.24 1.938671104e+02 2.658746660e+02 3.799446541e+02 1.26 1.803275102e+02 2.497117643e+02 3.579244768e+02 1.28 1.675987134e+02 2.344016508e+02 3.370253872e+02 1.30 1.556377594e+02 2.199049098e+02 3.171968546e+02 1.32 1.444036332e+02 2.061836017e+02 2.983902559e+02 1.34 1.338572020e+02 1.932012351e+02 2.805588300e+02 1.36 1.239611516e+02 1.809227358e+02 2.636576297e+02 1.38 1.146799222e+02 1.693144154e+02 2.476434738e+02 1.40 1.059796462e+02 1.583439375e+02 2.324748981e+02 1.42 9.782808458e+01 1.479802828e+02 2.181121061e+02 1.44 9.019456587e+01 1.381937134e+02 2.045169203e+02 1.46 8.304992470e+01 1.289557363e+02 1.916527320e+02 1.48 7.636644230e+01 1.202390666e+02 1.794844531e+02 1.50 7.011778779e+01 1.120175904e+02 1.679784667e+02 1.52 6.427896092e+01 1.042663278e+02 1.571025794e+02 1.54 5.882623586e+01 9.696139588e+01 1.468259730e+02 1.56 5.373710133e+01 9.007997135e+01 1.371191577e+02 1.58 4.899020968e+01 8.360025415e+01 1.279539260e+02 1.60 4.456533196e+01 7.750143110e+01 1.193033068e+02 1.62 4.044330773e+01 7.176364013e+01 1.111415194e+02 1.64 3.660599626e+01 6.636793510e+01 1.034439299e+02 1.66 3.303622945e+01 6.129625122e+01 9.618701084e+01 1.68 2.971776630e+01 5.653137124e+01 8.934829885e+01 1.70 2.663524914e+01 5.205689231e+01 8.290635434e+01 1.72 2.377416143e+01 4.785719367e+01 7.684072143e+01 1.74 2.112078719e+01 4.391740510e+01 7.113188932e+01 1.76 1.866217197e+01 4.022337628e+01 6.576125466e+01 1.78 1.638608541e+01 3.676164690e+01 6.071108499e+01 1.80 1.428098529e+01 3.351941776e+01 5.596448337e+01 1.82 1.233598308e+01 3.048452264e+01 5.150535401e+01 1.84 1.054081089e+01 2.764540109e+01 4.731836900e+01 1.86 8.885789884e+00 2.499107211e+01 4.338893620e+01 1.88 7.361799984e+00 2.251110869e+01 3.970316807e+01 1.90 5.960250985e+00 2.019561319e+01 3.624785165e+01 1.92 4.673054887e+00 1.803519366e+01 3.301041952e+01 1.94 3.492599499e+00 1.602094090e+01 2.997892182e+01 1.96 2.411723236e+00 1.414440646e+01 2.714199920e+01 1.98 1.423691088e+00 1.239758139e+01 2.448885686e+01 2.00 5.221716953e-01 1.077287585e+01 2.200923941e+01 2.02 -2.987844820e-01 9.263099437e+00 1.969340677e+01 2.04 -1.044765968e+00 7.861442373e+00 1.753211093e+01 2.06 -1.721020064e+00 6.561457375e+00 1.551657368e+01 2.08 -2.332471684e+00 5.357042287e+00 1.363846508e+01 2.10 -2.883741269e+00 4.242423426e+00 1.188988286e+01 2.12 -3.379161808e+00 3.212139610e+00 1.026333264e+01 2.14 -3.822795015e+00 2.261026868e+00 8.751708893e+00 2.16 -4.218446687e+00 1.384203795e+00 7.348276734e+00 2.18 -4.569681285e+00 5.770575429e-01 6.046654427e+00 2.20 -4.879835767e+00 -1.647695809e-01 4.840796625e+00 2.22 -5.152032706e+00 -8.453929244e-01 3.724978310e+00 2.24 -5.389192723e+00 -1.468697732e+00 2.693779406e+00 2.26 -5.594046281e+00 -2.038350836e+00 1.742070056e+00 2.28 -5.769144835e+00 -2.557811820e+00 8.649965219e-01 2.30 -5.916871410e+00 -3.030343664e+00 5.796769994e-02 2.32 -6.039450597e+00 -3.459005180e+00 -6.833577794e-01 2.34 -6.138958021e+00 -3.846565319e+00 -1.363083882e+00 2.36 -6.217329284e+00 -4.195983531e+00 -1.985088954e+00 2.38 -6.276368428e+00 -4.509845924e+00 -2.553036986e+00 2.40 -6.317755930e+00 -4.790489997e+00 -3.070388360e+00 2.42 -6.343056247e+00 -5.040286250e+00 -3.540410124e+00 2.44 -6.353724953e+00 -5.261522934e+00 -3.966185788e+00 2.46 -6.350862438e+00 -5.456333933e+00 -4.350624673e+00 2.48 -6.332718341e+00 -5.626706615e+00 -4.696470837e+00 2.50 -6.302803528e+00 -5.774491650e+00 -5.006311570e+00 2.52 -6.268506588e+00 -5.901412165e+00 -5.282585514e+00 2.54 -6.226306672e+00 -6.009072308e+00 -5.527590379e+00 2.56 -6.177344480e+00 -6.098965225e+00 -5.743412619e+00 2.58 -6.122640225e+00 -6.172480525e+00 -5.931183533e+00 2.60 -6.063104598e+00 -6.230911233e+00 -6.093159771e+00 2.62 -5.999548831e+00 -6.275460289e+00 -6.233533340e+00 2.64 -5.932693941e+00 -6.307246609e+00 -6.352260743e+00 2.66 -5.863179189e+00 -6.327310743e+00 -6.450936707e+00 2.68 -5.791569840e+00 -6.336620149e+00 -6.531059727e+00 2.70 -5.718364260e+00 -6.336074121e+00 -6.594037263e+00 2.72 -5.644000407e+00 -6.326508383e+00 -6.641190694e+00 2.74 -5.568861767e+00 -6.308699370e+00 -6.673760015e+00 2.76 -5.493282765e+00 -6.283368218e+00 -6.692908288e+00 2.78 -5.417553709e+00 -6.251225024e+00 -6.699786584e+00 2.80 -5.341925287e+00 -6.213046798e+00 -6.695649543e+00 2.82 -5.266612664e+00 -6.169562037e+00 -6.681681492e+00 2.84 -5.191799201e+00 -6.121429612e+00 -6.658963944e+00 2.86 -5.117639840e+00 -6.069244615e+00 -6.628483581e+00 2.88 -5.044264165e+00 -6.013543735e+00 -6.591139643e+00 2.90 -4.971779172e+00 -5.954810212e+00 -6.547750786e+00 2.92 -4.900271779e+00 -5.893478407e+00 -6.499061452e+00 2.94 -4.829811085e+00 -5.829938011e+00 -6.445747780e+00 2.96 -4.760450401e+00 -5.764537919e+00 -6.388423091e+00 2.98 -4.692229086e+00 -5.697589795e+00 -6.327642969e+00 3.00 -4.625174178e+00 -5.629371351e+00 -6.263909979e+00 3.02 -4.559301861e+00 -5.560129352e+00 -6.197678027e+00 3.04 -4.494618774e+00 -5.490082384e+00 -6.129356406e+00 3.06 -4.431123168e+00 -5.419423382e+00 -6.059313536e+00 3.08 -4.368805936e+00 -5.348321952e+00 -5.987880419e+00 3.10 -4.307651525e+00 -5.276926494e+00 -5.915353843e+00 3.12 -4.247638732e+00 -5.205366137e+00 -5.841999326e+00 3.14 -4.188741411e+00 -5.133752512e+00 -5.768052965e+00 3.16 -4.130929089e+00 -5.062181362e+00 -5.693721820e+00 3.18 -4.074167507e+00 -4.990734006e+00 -5.619194370e+00 3.20 -4.018419091e+00 -4.919478673e+00 -5.544649483e+00 3.22 -3.963643369e+00 -4.848471702e+00 -5.470223897e+00 3.24 -3.909797343e+00 -4.777758636e+00 -5.396045784e+00 3.26 -3.856835818e+00 -4.707375197e+00 -5.322227395e+00 3.28 -3.804711707e+00 -4.637348169e+00 -5.248866398e+00 3.30 -3.753376318e+00 -4.567696187e+00 -5.176047293e+00 3.32 -3.702779629e+00 -4.498430444e+00 -5.103842690e+00 3.34 -3.652870570e+00 -4.429555311e+00 -5.032314498e+00 3.36 -3.603597307e+00 -4.361068900e+00 -4.961515001e+00 3.38 -3.554907552e+00 -4.292963560e+00 -4.891487846e+00 3.40 -3.506748896e+00 -4.225226313e+00 -4.822268948e+00 3.42 -3.459069170e+00 -4.157839257e+00 -4.753887312e+00 3.44 -3.411816851e+00 -4.090779929e+00 -4.686365779e+00 3.46 -3.364941496e+00 -4.024021653e+00 -4.619721714e+00 3.48 -3.318394225e+00 -3.957533882e+00 -4.553967621e+00 3.50 -3.272128227e+00 -3.891282560e+00 -4.489111705e+00 3.52 -3.226099298e+00 -3.825230532e+00 -4.425158382e+00 3.54 -3.180266392e+00 -3.759338025e+00 -4.362108737e+00 3.56 -3.134592171e+00 -3.693563249e+00 -4.299960940e+00 3.58 -3.089043537e+00 -3.627863169e+00 -4.238710612e+00 3.60 -3.043571791e+00 -3.562194496e+00 -4.178351167e+00 3.62 -2.994455164e+00 -3.496514993e+00 -4.118874104e+00 3.64 -2.914898129e+00 -3.430785144e+00 -4.060269278e+00 3.66 -2.706296995e+00 -3.364970307e+00 -4.002525132e+00 3.68 -2.278434935e+00 -3.299043414e+00 -3.945628909e+00 3.70 -2.230130638e+00 -3.232988307e+00 -3.889566837e+00 3.72 -2.181916545e+00 -3.166803743e+00 -3.834324286e+00 3.74 -2.133848023e+00 -3.100508048e+00 -3.779885913e+00 3.76 -2.085992867e+00 -3.034144297e+00 -3.726235781e+00 3.78 -2.038431919e+00 -2.967785767e+00 -3.673357466e+00 3.80 -1.991259251e+00 -2.901541177e+00 -3.621234144e+00 3.82 -1.944581712e+00 -2.835393989e+00 -3.569848667e+00 3.84 -1.898517697e+00 -2.754923640e+00 -3.519183626e+00 3.86 -1.853194973e+00 -2.592335349e+00 -3.469221403e+00 3.88 -1.808747478e+00 -2.277775187e+00 -3.419944215e+00 3.90 -1.765311090e+00 -2.031951666e+00 -3.371334146e+00 3.92 -1.723018483e+00 -1.978881804e+00 -3.323373177e+00 3.94 -1.681997647e+00 -1.927802783e+00 -3.276043209e+00 3.96 -1.646237105e+00 -1.878980954e+00 -3.229326079e+00 3.98 -1.764680904e+00 -1.832629391e+00 -3.183203578e+00 4.00 -1.306707279e+00 -1.788888721e+00 -3.137657467e+00 4.02 -4.833600518e-01 -1.747814150e+00 -3.092669487e+00 4.04 -3.991741703e-01 -1.709370902e+00 -3.048221379e+00 4.06 -3.865760628e-01 -1.673438968e+00 -3.004294902e+00 4.08 -3.743351746e-01 -1.639826386e+00 -2.960871853e+00 4.10 -3.624435601e-01 -1.608288879e+00 -2.917934101e+00 4.12 -3.508933192e-01 -1.578552770e+00 -2.875463614e+00 4.14 -3.396766071e-01 -1.550337827e+00 -2.833442507e+00 4.16 -3.287856431e-01 -1.523377167e+00 -2.791853089e+00 4.18 -3.182127189e-01 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