# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu-H # implementation = 2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1 # composition = Cu3H # 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 2.00 -2.102848513e+00 -1.560371925e+00 -1.365442977e+00 2.02 -2.124086481e+00 -1.658748610e+00 -1.475864171e+00 2.04 -2.143360959e+00 -1.748747947e+00 -1.573800691e+00 2.06 -2.161338579e+00 -1.830568554e+00 -1.660089028e+00 2.08 -2.178166282e+00 -1.904244129e+00 -1.735584921e+00 2.10 -2.193385465e+00 -1.969782270e+00 -1.801167287e+00 2.12 -2.206016838e+00 -2.027299464e+00 -1.857738186e+00 2.14 -2.214829203e+00 -2.077092547e+00 -1.906218382e+00 2.16 -2.218708486e+00 -2.119628849e+00 -1.947532951e+00 2.18 -2.216972803e+00 -2.155495241e+00 -1.982569917e+00 2.20 -2.209492088e+00 -2.185404068e+00 -2.012695964e+00 2.22 -2.196513787e+00 -2.210083036e+00 -2.038968427e+00 2.24 -2.178517049e+00 -2.230285683e+00 -2.062525752e+00 2.26 -2.156094347e+00 -2.246746018e+00 -2.084507394e+00 2.28 -2.129696848e+00 -2.260116928e+00 -2.105929520e+00 2.30 -2.099458867e+00 -2.270792493e+00 -2.127530492e+00 2.32 -2.065512142e+00 -2.279198453e+00 -2.149621671e+00 2.34 -2.027987325e+00 -2.285419001e+00 -2.171997183e+00 2.36 -1.987015829e+00 -2.289213188e+00 -2.193954889e+00 2.38 -1.942731990e+00 -2.290179620e+00 -2.214448892e+00 2.40 -1.895275732e+00 -2.287866559e+00 -2.232341575e+00 2.42 -1.844795604e+00 -2.281902720e+00 -2.246672900e+00 2.44 -1.791452396e+00 -2.272100575e+00 -2.256851524e+00 2.46 -1.735423281e+00 -2.258490715e+00 -2.262704892e+00 2.48 -1.676906575e+00 -2.241277836e+00 -2.264390754e+00 2.50 -1.616127085e+00 -2.220644784e+00 -2.262077622e+00 2.52 -1.553341976e+00 -2.196980059e+00 -2.256267436e+00 2.54 -1.488847142e+00 -2.170618693e+00 -2.247396451e+00 2.56 -1.422983773e+00 -2.141684212e+00 -2.235590212e+00 2.58 -1.356144704e+00 -2.110303090e+00 -2.220979841e+00 2.60 -1.288779928e+00 -2.076605706e+00 -2.203697209e+00 2.62 -1.221400163e+00 -2.040727333e+00 -2.183865850e+00 2.64 -1.154577026e+00 -2.002809127e+00 -2.161617501e+00 2.66 -1.088937825e+00 -1.962998926e+00 -2.136980582e+00 2.68 -1.025152586e+00 -1.921451958e+00 -2.110158373e+00 2.70 -9.639110359e-01 -1.878331175e+00 -2.081227179e+00 2.72 -9.058878723e-01 -1.833807245e+00 -2.050251701e+00 2.74 -8.516966096e-01 -1.788057937e+00 -2.017294306e+00 2.76 -8.018354808e-01 -1.741266836e+00 -1.982415302e+00 2.78 -7.566326352e-01 -1.693621217e+00 -1.945673200e+00 2.80 -7.162014048e-01 -1.645309016e+00 -1.907125069e+00 2.82 -6.804172807e-01 -1.596514796e+00 -1.866826931e+00 2.84 -6.489253131e-01 -1.547414866e+00 -1.824834247e+00 2.86 -6.211797645e-01 -1.498171694e+00 -1.781202444e+00 2.88 -5.965094067e-01 -1.448927963e+00 -1.735987511e+00 2.90 -5.741951460e-01 -1.399800926e+00 -1.689246721e+00 2.92 -5.535443588e-01 -1.350877571e+00 -1.641039365e+00 2.94 -5.339490465e-01 -1.302211478e+00 -1.591427611e+00 2.96 -5.149207566e-01 -1.253821979e+00 -1.540477427e+00 2.98 -4.961017145e-01 -1.205696166e+00 -1.488259564e+00 3.00 -4.772566029e-01 -1.157793892e+00 -1.434850619e+00 3.02 -4.582520092e-01 -1.110055552e+00 -1.380334149e+00 3.04 -4.390261596e-01 -1.062411941e+00 -1.324801812e+00 3.06 -4.195363263e-01 -1.014795173e+00 -1.268354556e+00 3.08 -3.998200308e-01 -9.671493781e-01 -1.211103744e+00 3.10 -3.799840386e-01 -9.194400626e-01 -1.153172299e+00 3.12 -3.600681595e-01 -8.716610844e-01 -1.094695712e+00 3.14 -3.401165732e-01 -8.238387754e-01 -1.035822948e+00 3.16 -3.201780369e-01 -7.760330861e-01 -9.767171526e-01 3.18 -3.003060040e-01 -7.283361180e-01 -9.175560797e-01 3.20 -2.805586532e-01 -6.808687560e-01 -8.585322396e-01 3.22 -2.609987767e-01 -6.337720027e-01 -7.998526092e-01 3.24 -2.416935169e-01 -5.872108564e-01 -7.417378659e-01 3.26 -2.227139297e-01 -5.413359391e-01 -6.844210749e-01 3.28 -2.041343439e-01 -4.963854883e-01 -6.281457371e-01 3.30 -1.860315086e-01 -4.525499954e-01 -5.731631636e-01 3.32 -1.684835059e-01 -4.100232819e-01 -5.197291084e-01 3.34 -1.515684306e-01 -3.689992786e-01 -4.680996607e-01 3.36 -1.353628507e-01 -3.296682656e-01 -4.185264402e-01 3.38 -1.199400549e-01 -2.922125881e-01 -3.712511107e-01 3.40 -1.053681427e-01 -2.568019848e-01 -3.264993898e-01 3.42 -9.170799529e-02 -2.235886243e-01 -2.844746769e-01 3.44 -7.901121078e-02 -1.927020520e-01 -2.453515620e-01 3.46 -6.731808405e-02 -1.642442496e-01 -2.092694801e-01 3.48 -5.665573121e-02 -1.382850539e-01 -1.763268341e-01 3.50 -4.703646072e-02 -1.148581895e-01 -1.465759242e-01 3.52 -3.845648569e-02 -9.395815064e-02 -1.200189989e-01 3.54 -3.089506206e-02 -7.553813697e-02 -9.660569800e-02 3.56 -2.431412541e-02 -5.950918999e-02 -7.623204737e-02 3.58 -1.865856295e-02 -4.574073601e-02 -5.874110583e-02 3.60 -1.385759909e-02 -3.406327028e-02 -4.392556006e-02 3.62 -9.829091532e-03 -2.427630434e-02 -3.153414345e-02 3.64 -6.492461268e-03 -1.617282244e-02 -2.129058499e-02 3.66 -3.802319712e-03 -9.609470289e-03 -1.295557686e-02 3.68 -1.799065957e-03 -4.640036832e-03 -6.489321864e-03 3.70 -5.750968099e-04 -1.512875377e-03 -2.201840250e-03 3.72 2.306448191e-05 6.150528509e-05 9.225792763e-05 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00