# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005 # composition = MoXe3 # 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 2022-05-24 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 nan nan nan 1.72 nan nan nan 1.74 nan nan nan 1.76 nan nan nan 1.78 nan nan nan 1.80 nan nan nan 1.82 nan nan nan 1.84 nan nan nan 1.86 nan nan nan 1.88 nan nan nan 1.90 nan nan nan 1.92 nan nan nan 1.94 nan nan nan 1.96 nan nan nan 1.98 2.076803274e+02 nan nan 2.00 1.777167556e+02 nan nan 2.02 1.516433524e+02 nan nan 2.04 1.291415653e+02 nan nan 2.06 1.098011679e+02 nan nan 2.08 9.321678143e+01 nan nan 2.10 7.900341436e+01 nan nan 2.12 6.680185825e+01 nan nan 2.14 5.630337463e+01 nan nan 2.16 4.727653874e+01 1.133263322e+02 nan 2.18 3.959244333e+01 9.384571629e+01 nan 2.20 3.314004148e+01 7.759522113e+01 nan 2.22 2.776741587e+01 6.423898549e+01 8.909409280e+01 2.24 2.337636730e+01 5.337503245e+01 7.335082407e+01 2.26 1.984665148e+01 4.466364697e+01 6.077146979e+01 2.28 1.703711154e+01 3.778071361e+01 5.091842157e+01 2.30 1.480057300e+01 3.238975897e+01 4.329487562e+01 2.32 1.301020732e+01 2.815811306e+01 3.737463961e+01 2.34 1.155099703e+01 2.475741954e+01 3.267013588e+01 2.36 1.030743167e+01 2.187570477e+01 2.871343338e+01 2.38 9.228966022e+00 1.938905971e+01 2.529570256e+01 2.40 8.301757673e+00 1.724373494e+01 2.236545052e+01 2.42 7.510102271e+00 1.541919791e+01 1.987441075e+01 2.44 6.837522306e+00 1.387637582e+01 1.778044404e+01 2.46 6.266017598e+00 1.258406131e+01 1.604001261e+01 2.48 5.778237277e+00 1.150276875e+01 1.458550273e+01 2.50 5.357927885e+00 1.059171111e+01 1.338794659e+01 2.52 4.988719388e+00 9.815613160e+00 1.239907035e+01 2.54 4.654632280e+00 9.142741312e+00 1.155965443e+01 2.56 4.343257661e+00 8.541558052e+00 1.080878506e+01 2.58 4.047335550e+00 7.985196189e+00 1.010216406e+01 2.60 3.769821163e+00 7.467560316e+00 9.431336960e+00 2.62 3.515803953e+00 6.987651591e+00 8.798422206e+00 2.64 3.286850600e+00 6.543700405e+00 8.205881137e+00 2.66 3.078219005e+00 6.132525749e+00 7.655429970e+00 2.68 2.884372314e+00 5.750989791e+00 7.148667260e+00 2.70 2.702306930e+00 5.394646258e+00 6.686374525e+00 2.72 2.530498870e+00 5.059934782e+00 6.267551976e+00 2.74 2.368811690e+00 4.746096301e+00 5.889956457e+00 2.76 2.217270489e+00 4.452936610e+00 5.549783406e+00 2.78 2.075754859e+00 4.181179639e+00 5.241756794e+00 2.80 1.941573702e+00 3.931760411e+00 4.957315980e+00 2.82 1.814266066e+00 3.704028418e+00 4.693166305e+00 2.84 1.693734890e+00 3.496013800e+00 4.446771803e+00 2.86 1.579888728e+00 3.305461160e+00 4.215852402e+00 2.88 1.472751226e+00 3.129819450e+00 3.998529638e+00 2.90 1.372102014e+00 2.966178776e+00 3.793198493e+00 2.92 1.277441263e+00 2.812045272e+00 3.598128788e+00 2.94 1.188217965e+00 2.664906008e+00 3.410979705e+00 2.96 1.103901199e+00 2.522361640e+00 3.228908099e+00 2.98 1.023994777e+00 2.382251809e+00 3.049167645e+00 3.00 9.480546871e-01 2.242656312e+00 2.870407341e+00 3.02 8.765468927e-01 2.101819057e+00 2.693793948e+00 3.04 8.108252038e-01 1.959439292e+00 2.522571482e+00 3.06 7.523147455e-01 1.817518098e+00 2.360203609e+00 3.08 7.024587169e-01 1.678256745e+00 2.210331266e+00 3.10 6.623666723e-01 1.543783633e+00 2.076275319e+00 3.12 6.290570861e-01 1.414713856e+00 1.954705799e+00 3.14 5.993133135e-01 1.292450733e+00 1.842790992e+00 3.16 5.707696039e-01 1.177898389e+00 1.739773069e+00 3.18 5.409495456e-01 1.071826599e+00 1.644929203e+00 3.20 5.073692763e-01 9.750997434e-01 1.557518264e+00 3.22 4.686649225e-01 8.885519101e-01 1.476603035e+00 3.24 4.265852753e-01 8.125520941e-01 1.400853573e+00 3.26 3.834568532e-01 7.434472041e-01 1.328640158e+00 3.28 3.416941313e-01 6.806536233e-01 1.258307639e+00 3.30 3.037783842e-01 6.241673313e-01 1.188197504e+00 3.32 2.713907103e-01 5.735825301e-01 1.116662108e+00 3.34 2.431336631e-01 5.284759324e-01 1.042114464e+00 3.36 2.185308617e-01 4.883287309e-01 9.644746732e-01 3.38 1.970509775e-01 4.525559636e-01 8.853287930e-01 3.40 1.781467211e-01 4.205775301e-01 8.063421316e-01 3.42 1.612525764e-01 3.918485853e-01 7.291610785e-01 3.44 1.457892185e-01 3.659155474e-01 6.554471279e-01 3.46 1.308004706e-01 3.424008097e-01 5.869121317e-01 3.48 1.159242913e-01 3.209620048e-01 5.247914058e-01 3.50 1.013910025e-01 3.012869062e-01 4.691697881e-01 3.52 8.737523060e-02 2.830920030e-01 4.199685241e-01 3.54 7.408652027e-02 2.662368423e-01 3.771005085e-01 3.56 6.175814731e-02 2.505591379e-01 3.404692957e-01 3.58 5.062933796e-02 2.355732372e-01 3.097343676e-01 3.60 3.972802207e-02 2.207286851e-01 2.811500418e-01 3.62 2.778758086e-02 2.054493013e-01 2.533640176e-01 3.64 1.836603799e-02 1.891525541e-01 2.262031312e-01 3.66 9.840393752e-03 1.713006204e-01 1.997732599e-01 3.68 1.420992480e-03 1.516440625e-01 1.743236356e-01 3.70 -6.818645854e-03 1.312134375e-01 1.501007658e-01 3.72 -1.474147520e-02 1.113944299e-01 1.273436675e-01 3.74 -2.221036271e-02 9.330100956e-02 1.062825005e-01 3.76 -2.908827538e-02 7.797851565e-02 8.713727913e-02 3.78 -3.523810688e-02 6.645865383e-02 7.011469350e-02 3.80 -4.052278670e-02 5.934415088e-02 5.530764714e-02 3.82 -4.480523858e-02 5.392670311e-02 4.263667870e-02 3.84 -4.794110959e-02 4.932858548e-02 3.200359506e-02 3.86 -4.985177972e-02 4.530184371e-02 2.327967634e-02 3.88 -5.066045228e-02 4.150787552e-02 1.620085719e-02 3.90 -5.051888763e-02 3.761952577e-02 1.047073015e-02 3.92 -4.957885100e-02 2.609870985e-02 5.800651303e-03 3.94 -4.799212444e-02 1.060128038e-02 6.659762753e-03 3.96 -4.591051394e-02 -3.819406087e-03 1.695811561e-02 3.98 -4.348577286e-02 -1.147618472e-02 2.704668069e-02 4.00 -4.086967870e-02 -1.874756363e-02 3.643291635e-02 4.02 -3.821240546e-02 -2.347177572e-02 4.461907750e-02 4.04 -3.564499245e-02 -2.788270924e-02 4.113632955e-02 4.06 -3.329036820e-02 -3.201358783e-02 3.576085338e-02 4.08 -3.124799776e-02 -3.583579937e-02 2.974330524e-02 4.10 -2.957049898e-02 -3.930676820e-02 2.312671029e-02 4.12 -2.830508432e-02 -4.242875448e-02 1.601439197e-02 4.14 -2.749891791e-02 -4.520497639e-02 8.521419149e-03 4.16 -2.719916295e-02 -4.763870213e-02 7.627368951e-04 4.18 -2.745306555e-02 -4.973314993e-02 -7.146556211e-03 4.20 -2.828522992e-02 -5.149156106e-02 -1.509145500e-02 4.22 -2.957698001e-02 -5.291715485e-02 -2.295690354e-02 4.24 -3.115695061e-02 -5.401314327e-02 -3.061570310e-02 4.26 -3.285555793e-02 -5.478248728e-02 -3.783344458e-02 4.28 -3.450503928e-02 -5.521407870e-02 -4.434115008e-02 4.30 -3.596891398e-02 -5.533613175e-02 -4.997743329e-02 4.32 -3.713711443e-02 -5.522384078e-02 -5.465634404e-02 4.34 -3.790032980e-02 -5.495284136e-02 -5.829251963e-02 4.36 -3.814933378e-02 -5.459874174e-02 -6.080064819e-02 4.38 -3.783147923e-02 -5.423718460e-02 -6.210586061e-02 4.40 -3.705093650e-02 -5.394379746e-02 -6.288510292e-02 4.42 -3.592288403e-02 -5.379422298e-02 -6.357749975e-02 4.44 -3.452980377e-02 -5.386401071e-02 -6.427902369e-02 4.46 -3.295012884e-02 -5.421088545e-02 -6.508898470e-02 4.48 -3.126218269e-02 -5.486060739e-02 -6.610667211e-02 4.50 -2.953829626e-02 -5.582183161e-02 -6.740756981e-02 4.52 -2.781545462e-02 -5.701798684e-02 -6.893936235e-02 4.54 -2.611793721e-02 -5.834517867e-02 -7.060870636e-02 4.56 -2.444575402e-02 -5.969960504e-02 -7.232238258e-02 4.58 -2.276790549e-02 -6.097743829e-02 -7.398718848e-02 4.60 -2.105528460e-02 -6.207486807e-02 -7.550990152e-02 4.62 -1.932319001e-02 -6.288812646e-02 -7.679734725e-02 4.64 -1.761511500e-02 -6.332307500e-02 -7.775631481e-02 4.66 -1.597499955e-02 -6.332284451e-02 -7.829352691e-02 4.68 -1.444687956e-02 -6.283548462e-02 -7.831583764e-02 4.70 -1.307469833e-02 -6.180896243e-02 -7.773025100e-02 4.72 -1.191500399e-02 -6.022408832e-02 -7.649307078e-02 4.74 -1.105482829e-02 -5.813531791e-02 -7.467100657e-02 4.76 -1.058719617e-02 -5.560725899e-02 -7.234605567e-02 4.78 -1.060506345e-02 -5.270451706e-02 -6.960018725e-02 4.80 -1.118067763e-02 -4.949165725e-02 -6.651533880e-02 4.82 -1.232808575e-02 -4.603299387e-02 -6.317347618e-02 4.84 -1.405114537e-02 -4.240343246e-02 -5.965661065e-02 4.86 -1.635364657e-02 -3.869619599e-02 -5.604668953e-02 4.88 -1.923939178e-02 -3.500587088e-02 -5.242570988e-02 4.90 -2.266986292e-02 -3.142698060e-02 -4.887555186e-02 4.92 -2.641463779e-02 -2.805354004e-02 -4.547738459e-02 4.94 -3.018521058e-02 -2.496045712e-02 -4.228367176e-02 4.96 -3.368939161e-02 -2.219776412e-02 -3.930957224e-02 4.98 -3.663774201e-02 -1.981357211e-02 -3.656736391e-02 5.00 -3.879183480e-02 -1.785584493e-02 -3.406927435e-02 5.02 -3.995636674e-02 -1.634960285e-02 -3.182754165e-02 5.04 -3.993733233e-02 -1.526792474e-02 -2.985451225e-02 5.06 -3.858706054e-02 -1.457670160e-02 -2.816235409e-02 5.08 -3.689447634e-02 -1.424188328e-02 -2.676336033e-02 5.10 -3.537349833e-02 -1.422945748e-02 -2.566980738e-02 5.12 -3.408576222e-02 -1.450537925e-02 -2.489394592e-02 5.14 -3.308997253e-02 -1.502889371e-02 -2.443802999e-02 5.16 -3.242523485e-02 -1.572721112e-02 -2.425614844e-02 5.18 -3.209636755e-02 -1.652152504e-02 -2.429362225e-02 5.20 -3.200556644e-02 -1.732699876e-02 -2.449635658e-02 5.22 -3.203006562e-02 -1.809260644e-02 -2.481017110e-02 5.24 -3.204715346e-02 -1.878762761e-02 -2.518095260e-02 5.26 -3.193411589e-02 -1.938131678e-02 -2.555457315e-02 5.28 -3.156826474e-02 -1.984293596e-02 -2.587691692e-02 5.30 -3.082683574e-02 -2.014171376e-02 -2.609382162e-02 5.32 -2.958715096e-02 -2.024691406e-02 -2.615117849e-02 5.34 -2.772646229e-02 -2.012783403e-02 -2.599492171e-02 5.36 -2.513532235e-02 -1.976940088e-02 -2.559616174e-02 5.38 -2.186324044e-02 -1.932554525e-02 -2.496808287e-02 5.40 -1.811761231e-02 -1.876258194e-02 -2.412363791e-02 5.42 -1.411403910e-02 -1.806401703e-02 -2.307579055e-02 5.44 -1.006808539e-02 -1.723840557e-02 -2.183737336e-02 5.46 -6.195356800e-03 -1.629445217e-02 -2.042144325e-02 5.48 -2.711428145e-03 -1.524074785e-02 -1.884088677e-02 5.50 1.681158075e-04 -1.408587736e-02 -1.710858104e-02 5.52 2.227678527e-03 -1.283851412e-02 -1.523753617e-02 5.54 3.247973552e-03 -1.150725102e-02 -1.324064152e-02 5.56 3.562830282e-03 -1.010048420e-02 -1.113049130e-02 5.58 3.850386650e-03 -8.631282151e-03 -8.926688226e-03 5.60 4.116613391e-03 -7.131316428e-03 -6.676739642e-03 5.62 4.357932804e-03 -5.635165763e-03 -4.432513644e-03 5.64 4.570796400e-03 -4.177406266e-03 -2.245874400e-03 5.66 4.751638244e-03 -2.792624537e-03 -1.687018052e-04 5.68 4.896900515e-03 -1.515354995e-03 1.747202507e-03 5.70 5.003021872e-03 -3.801978564e-04 3.449938215e-03 5.72 5.066437308e-03 5.782809776e-04 4.887656466e-03 5.74 5.083593701e-03 1.325510508e-03 6.008500762e-03 5.76 5.050919979e-03 1.826885819e-03 6.760563728e-03 5.78 4.964792938e-03 2.049828059e-03 7.094977089e-03 5.80 4.821023723e-03 1.998028584e-03 7.017277876e-03 5.82 4.615183712e-03 1.707046690e-03 6.580805036e-03 5.84 4.342842093e-03 1.213409857e-03 5.840349786e-03 5.86 3.999566474e-03 5.537224897e-04 4.850818735e-03 5.88 3.580922072e-03 -2.354849613e-04 3.667007558e-03 5.90 3.082476620e-03 -1.117643793e-03 2.343769311e-03 5.92 2.499797984e-03 -2.056176559e-03 9.359701615e-04 5.94 1.828458552e-03 -3.014498661e-03 -5.015129913e-04 5.96 1.064018393e-03 -3.956095610e-03 -1.913908414e-03 5.98 2.020624772e-04 -4.844315993e-03 -3.246238989e-03 6.00 -7.528842514e-04 -5.635135592e-03 -4.432468388e-03