# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # composition = MoW3 # 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 2024-01-04 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 2.013000491e+02 nan nan 0.98 1.913345631e+02 nan nan 1.00 1.823577881e+02 nan nan 1.02 1.748491260e+02 nan nan 1.04 1.677758448e+02 nan nan 1.06 1.610994077e+02 1.958460720e+02 nan 1.08 1.538456899e+02 1.850609890e+02 2.084467654e+02 1.10 1.465197448e+02 1.757079634e+02 2.005155928e+02 1.12 1.389423063e+02 1.673681255e+02 1.915139533e+02 1.14 1.318082836e+02 1.599408553e+02 1.813762433e+02 1.16 1.259106656e+02 1.532670797e+02 1.713369082e+02 1.18 1.210731782e+02 1.469303447e+02 1.617997966e+02 1.20 1.168270023e+02 1.407469069e+02 1.533600737e+02 1.22 1.133754864e+02 1.353886788e+02 1.463766496e+02 1.24 1.102670708e+02 1.308132202e+02 1.412634658e+02 1.26 1.073572904e+02 1.265255404e+02 1.360528777e+02 1.28 1.048116969e+02 1.225638227e+02 1.306377237e+02 1.30 1.024995005e+02 1.191415524e+02 1.262476572e+02 1.32 1.003184820e+02 1.161614327e+02 1.225269428e+02 1.34 9.789742438e+01 1.134442224e+02 1.191442729e+02 1.36 9.563350513e+01 1.106744058e+02 1.158090535e+02 1.38 9.363738685e+01 1.081860642e+02 1.125631031e+02 1.40 9.189254263e+01 1.059657304e+02 1.097503028e+02 1.42 9.002274614e+01 1.038078097e+02 1.072838339e+02 1.44 8.810109656e+01 1.016163836e+02 1.048319589e+02 1.46 8.621802718e+01 9.946922582e+01 1.023335108e+02 1.48 8.449948919e+01 9.751279630e+01 9.998169182e+01 1.50 8.292617968e+01 9.563307540e+01 9.777529885e+01 1.52 8.142232069e+01 9.369591634e+01 9.562589880e+01 1.54 7.995172027e+01 9.178629443e+01 9.362844587e+01 1.56 7.861041488e+01 8.996632437e+01 9.168129381e+01 1.58 7.742278738e+01 8.825530789e+01 8.992817286e+01 1.60 7.633795037e+01 8.663231361e+01 8.837724626e+01 1.62 7.532158343e+01 8.504639007e+01 8.688319497e+01 1.64 7.431028849e+01 8.348940769e+01 8.548924496e+01 1.66 7.327412568e+01 8.199499060e+01 8.415919910e+01 1.68 7.225158519e+01 8.043557207e+01 8.287989157e+01 1.70 7.128716116e+01 7.885904211e+01 8.164581380e+01 1.72 7.010345065e+01 7.723285770e+01 8.045746740e+01 1.74 6.852346214e+01 7.560813520e+01 7.927543444e+01 1.76 6.672402661e+01 7.407825985e+01 7.813162518e+01 1.78 6.474461531e+01 7.272937450e+01 7.706437854e+01 1.80 6.270664337e+01 7.155573645e+01 7.608481034e+01 1.82 6.079938662e+01 7.050828259e+01 7.519380043e+01 1.84 5.920028262e+01 6.957429697e+01 7.434964937e+01 1.86 5.793283452e+01 6.872630814e+01 7.350396115e+01 1.88 5.695953425e+01 6.793317982e+01 7.266018756e+01 1.90 5.616741332e+01 6.717320202e+01 7.191752188e+01 1.92 5.546988183e+01 6.629916569e+01 7.104346939e+01 1.94 5.483450181e+01 6.521218569e+01 6.984565744e+01 1.96 5.425098703e+01 6.401494886e+01 6.843797453e+01 1.98 5.372256432e+01 6.273531490e+01 6.683745490e+01 2.00 5.323876844e+01 6.142342024e+01 6.511748612e+01 2.02 5.277596764e+01 6.015396063e+01 6.337654615e+01 2.04 5.230116514e+01 5.897507426e+01 6.170519847e+01 2.06 5.180507707e+01 5.788448377e+01 6.028977227e+01 2.08 5.129723000e+01 5.685848873e+01 5.909799215e+01 2.10 5.079164579e+01 5.591824185e+01 5.805629016e+01 2.12 4.707455173e+01 5.505734648e+01 5.714052040e+01 2.14 4.339647874e+01 5.425274386e+01 5.633481241e+01 2.16 2.240452706e+01 5.349133174e+01 5.561183046e+01 2.18 9.065107764e+00 5.276176220e+01 5.491640067e+01 2.20 2.127984504e+00 5.205914551e+01 5.419915395e+01 2.22 -1.896125247e+00 5.142411985e+01 5.350108662e+01 2.24 -3.899938370e+00 5.088129530e+01 5.285894959e+01 2.26 -5.045277742e+00 5.042514789e+01 5.226520232e+01 2.28 -5.922565151e+00 5.003585910e+01 5.172070688e+01 2.30 -6.558302716e+00 4.798573403e+01 5.123225370e+01 2.32 -6.975731533e+00 3.406390413e+01 5.078887309e+01 2.34 -7.257729396e+00 2.457331863e+01 5.034770772e+01 2.36 -7.449825025e+00 1.427303477e+01 4.020998693e+01 2.38 -7.605947881e+00 5.341928510e+00 1.931208350e+01 2.40 -7.740233449e+00 -1.791296830e-01 8.183465165e+00 2.42 -7.854852154e+00 -3.140639944e+00 2.368185631e+00 2.44 -7.957631815e+00 -4.711974160e+00 -7.271466713e-01 2.46 -8.034128652e+00 -5.633782845e+00 -2.479522464e+00 2.48 -8.079864177e+00 -6.235370151e+00 -3.581752429e+00 2.50 -8.092805866e+00 -6.620178618e+00 -4.324930126e+00 2.52 -8.095665803e+00 -6.886474726e+00 -4.869309429e+00 2.54 -8.112972404e+00 -7.138039157e+00 -5.315084824e+00 2.56 -8.139728574e+00 -7.373193629e+00 -5.679800806e+00 2.58 -8.141073354e+00 -7.591261190e+00 -5.970941067e+00 2.60 -8.103464269e+00 -7.787096176e+00 -6.174995401e+00 2.62 -8.047222942e+00 -7.951753836e+00 -6.312452254e+00 2.64 -7.970690356e+00 -8.077889136e+00 -6.447970480e+00 2.66 -7.888465596e+00 -8.170401642e+00 -6.637467347e+00 2.68 -7.807466527e+00 -8.238909607e+00 -6.889770453e+00 2.70 -7.734051318e+00 -8.291690045e+00 -7.142024799e+00 2.72 -7.666104389e+00 -8.328530163e+00 -7.313677600e+00 2.74 -7.595712985e+00 -8.349145899e+00 -7.456954396e+00 2.76 -7.525469849e+00 -8.350985364e+00 -7.553570581e+00 2.78 -7.455924971e+00 -8.338587585e+00 -7.630789082e+00 2.80 -7.382414181e+00 -8.314095005e+00 -7.705186109e+00 2.82 -7.306801709e+00 -8.268094388e+00 -7.780396160e+00 2.84 -7.230910540e+00 -8.204768398e+00 -7.825679259e+00 2.86 -7.156039381e+00 -8.130244362e+00 -7.818757952e+00 2.88 -7.082834605e+00 -8.051320576e+00 -7.808905090e+00 2.90 -7.010308143e+00 -7.977685373e+00 -7.800812776e+00 2.92 -6.938151666e+00 -7.913473386e+00 -7.791798771e+00 2.94 -6.865826122e+00 -7.840284461e+00 -7.784002803e+00 2.96 -6.792621227e+00 -7.751894843e+00 -7.768718792e+00 2.98 -6.716898800e+00 -7.641317572e+00 -7.730964871e+00 3.00 -6.633580868e+00 -7.518813669e+00 -7.673530705e+00 3.02 -6.532991131e+00 -7.412447240e+00 -7.622348890e+00 3.04 -6.410374146e+00 -7.335382201e+00 -7.559308060e+00 3.06 -6.232453552e+00 -7.274777292e+00 -7.488249347e+00 3.08 -6.067660595e+00 -7.216899912e+00 -7.416999213e+00 3.10 -5.900685047e+00 -7.156431869e+00 -7.347598059e+00 3.12 -5.751285973e+00 -7.085564624e+00 -7.272000931e+00 3.14 -5.630693850e+00 -7.001281330e+00 -7.182465316e+00 3.16 -5.515241481e+00 -6.908611788e+00 -7.085316462e+00 3.18 -5.306569875e+00 -6.803468510e+00 -6.988086397e+00 3.20 -4.957594592e+00 -6.703821635e+00 -6.902794595e+00 3.22 -4.621236072e+00 -6.614959105e+00 -6.835151331e+00 3.24 -4.324367467e+00 -6.524071081e+00 -6.774690674e+00 3.26 -4.093975504e+00 -6.430844609e+00 -6.709511650e+00 3.28 -3.930044221e+00 -6.327485674e+00 -6.632512779e+00 3.30 -3.818194509e+00 -6.214315041e+00 -6.549614883e+00 3.32 -3.734723054e+00 -6.081293899e+00 -6.473552923e+00 3.34 -3.664015733e+00 -5.932903831e+00 -6.416333558e+00 3.36 -3.598635769e+00 -5.794560483e+00 -6.380947142e+00 3.38 -3.527036402e+00 -5.671304520e+00 -6.370444864e+00 3.40 -3.445248106e+00 -5.562410369e+00 -6.372934240e+00 3.42 -3.356642612e+00 -5.440307096e+00 -6.357266831e+00 3.44 -3.242865949e+00 -5.313644631e+00 -6.309008240e+00 3.46 -3.113064291e+00 -5.208042076e+00 -6.250399907e+00 3.48 -2.956762508e+00 -5.116151399e+00 -6.192047750e+00 3.50 -2.781388415e+00 -5.035993372e+00 -6.139983228e+00 3.52 -2.641961858e+00 -4.970923661e+00 -6.099241489e+00 3.54 -2.545433544e+00 -4.927229346e+00 -6.065421566e+00 3.56 -2.488139553e+00 -4.913026454e+00 -6.028742450e+00 3.58 -2.465911461e+00 -4.924005303e+00 -6.000007600e+00 3.60 -2.465712093e+00 -4.948763795e+00 -5.974844815e+00 3.62 -2.473549214e+00 -4.972912896e+00 -5.946440999e+00 3.64 -2.481086673e+00 -4.979192250e+00 -5.914323635e+00 3.66 -2.484795235e+00 -4.961236068e+00 -5.878412866e+00 3.68 -2.486198515e+00 -4.925337186e+00 -5.838063048e+00 3.70 -2.486994904e+00 -4.877221883e+00 -5.791907133e+00 3.72 -2.488869498e+00 -4.822127504e+00 -5.738784405e+00 3.74 -2.493507612e+00 -4.762664046e+00 -5.677592795e+00 3.76 -2.502223242e+00 -4.689024698e+00 -5.605768052e+00 3.78 -2.511953562e+00 -4.593536972e+00 -5.502900625e+00 3.80 -2.514868733e+00 -4.460058682e+00 -5.399027436e+00 3.82 -2.518601221e+00 -4.244815230e+00 -5.275246914e+00 3.84 -2.523388086e+00 -3.996718617e+00 -5.056544991e+00 3.86 -2.516021683e+00 -3.693439143e+00 -4.652004849e+00 3.88 -2.499120618e+00 -3.375858086e+00 -4.194873349e+00 3.90 -2.476568026e+00 -3.061316454e+00 -3.729922185e+00 3.92 -2.453194512e+00 -2.769878497e+00 -3.267202466e+00 3.94 -2.433284278e+00 -2.518967587e+00 -2.861638933e+00 3.96 -2.417788710e+00 -2.311251847e+00 -2.511547804e+00 3.98 -2.406861809e+00 -2.145852161e+00 -2.209710973e+00 4.00 -2.398704445e+00 -2.019392614e+00 -1.947616573e+00 4.02 -2.392203518e+00 -1.924062472e+00 -1.715772364e+00 4.04 -2.387181552e+00 -1.850687636e+00 -1.508288638e+00 4.06 -2.383288650e+00 -1.789268771e+00 -1.321481020e+00 4.08 -2.380656988e+00 -1.732206693e+00 -1.156485155e+00 4.10 -2.380151299e+00 -1.675377761e+00 -1.022182756e+00 4.12 -2.382285848e+00 -1.619275636e+00 -9.270762702e-01 4.14 -2.385490410e+00 -1.563905503e+00 -8.658004516e-01 4.16 -2.387127172e+00 -1.513861722e+00 -8.280204588e-01 4.18 -2.384551594e+00 -1.482078244e+00 -8.015855880e-01 4.20 -2.375301751e+00 -1.463420946e+00 -7.725868685e-01 4.22 -2.358545933e+00 -1.457856022e+00 -7.325583926e-01 4.24 -2.334759797e+00 -1.472966358e+00 -6.838377121e-01 4.26 -2.306865652e+00 -1.510840564e+00 -6.367460330e-01 4.28 -2.279212971e+00 -1.566885469e+00 -6.153833726e-01 4.30 -2.256310735e+00 -1.632952396e+00 -6.347196186e-01 4.32 -2.241333549e+00 -1.702146289e+00 -6.949628813e-01 4.34 -2.234567579e+00 -1.772458633e+00 -7.912313728e-01 4.36 -2.235210443e+00 -1.846075483e+00 -9.144707470e-01 4.38 -2.239573089e+00 -1.920365300e+00 -1.048312962e+00 4.40 -2.242363487e+00 -1.990202633e+00 -1.177560691e+00 4.42 -2.238538671e+00 -2.051285115e+00 -1.297253558e+00 4.44 -2.225990433e+00 -2.101943860e+00 -1.405672028e+00 4.46 -2.204135719e+00 -2.140998238e+00 -1.499751796e+00 4.48 -2.173127280e+00 -2.168976389e+00 -1.578239852e+00 4.50 -2.136472775e+00 -2.189362285e+00 -1.645496360e+00 4.52 -2.099470416e+00 -2.205976330e+00 -1.706376920e+00 4.54 -2.065359048e+00 -2.222597892e+00 -1.765521891e+00 4.56 -2.033209144e+00 -2.242949368e+00 -1.827380015e+00 4.58 -2.001490081e+00 -2.269951231e+00 -1.896174368e+00 4.60 -1.968455499e+00 -2.304798232e+00 -1.975597028e+00 4.62 -1.930650788e+00 -2.345500251e+00 -2.064501832e+00 4.64 -1.884105169e+00 -2.387362944e+00 -2.157623304e+00 4.66 -1.832333958e+00 -2.425726824e+00 -2.249747097e+00 4.68 -1.782815007e+00 -2.456182176e+00 -2.336005183e+00 4.70 -1.744185579e+00 -2.475733762e+00 -2.411892532e+00 4.72 -1.725694110e+00 -2.483020802e+00 -2.473137841e+00 4.74 -1.734656094e+00 -2.477299917e+00 -2.516374715e+00 4.76 -1.768209361e+00 -2.461267844e+00 -2.543396203e+00 4.78 -1.811751914e+00 -2.439187731e+00 -2.558191279e+00 4.80 -1.852653001e+00 -2.415266566e+00 -2.564661738e+00 4.82 -1.878210506e+00 -2.391979131e+00 -2.566665648e+00 4.84 -1.876785567e+00 -2.370340355e+00 -2.568064493e+00 4.86 -1.840638441e+00 -2.351301752e+00 -2.572708840e+00 4.88 -1.775401462e+00 -2.334910291e+00 -2.583122002e+00 4.90 -1.691407836e+00 -2.318565302e+00 -2.598055661e+00 4.92 -1.599492932e+00 -2.299457254e+00 -2.615486485e+00 4.94 -1.509014690e+00 -2.278045194e+00 -2.633393049e+00 4.96 -1.430944481e+00 -2.256599625e+00 -2.649760490e+00 4.98 -1.374749274e+00 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