# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Oh-Y-Sung-S-Jang-J-i-et-al--W-H # implementation = 2024--Oh-Y--W-H--LAMMPS--ipr1 # composition = HW # 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 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan 7.785450545e+02 7.785450545e+02 7.914600652e+02 7.914600652e+02 nan nan 0.72 nan nan nan nan 7.071007861e+02 7.071007861e+02 7.182413178e+02 7.182413178e+02 nan nan 0.74 nan nan nan nan 6.417125458e+02 6.417125458e+02 6.513284588e+02 6.513284588e+02 nan nan 0.76 nan nan nan nan 5.819123888e+02 5.819123888e+02 5.902182788e+02 5.902182788e+02 nan nan 0.78 nan nan nan nan 5.272621177e+02 5.272621177e+02 5.344423183e+02 5.344423183e+02 nan nan 0.80 nan nan nan nan 4.773526167e+02 4.773526167e+02 4.835654658e+02 4.835654658e+02 nan nan 0.82 7.935742169e+02 7.935742169e+02 nan nan 4.318028969e+02 4.318028969e+02 4.371843853e+02 4.371843853e+02 nan nan 0.84 7.244830007e+02 7.244830007e+02 nan nan 3.902589414e+02 3.902589414e+02 3.949258394e+02 3.949258394e+02 nan nan 0.86 6.610633905e+02 6.610633905e+02 nan nan 3.523924213e+02 3.523924213e+02 3.564449644e+02 3.564449644e+02 nan nan 0.88 6.028691088e+02 6.028691088e+02 7.135101465e+02 7.135101465e+02 3.178993352e+02 3.178993352e+02 3.214235332e+02 3.214235332e+02 nan nan 0.90 5.494877840e+02 5.494877840e+02 6.546158041e+02 6.546158041e+02 2.864986148e+02 2.864986148e+02 2.895682404e+02 2.895682404e+02 6.767206462e+02 6.767206462e+02 0.92 5.005384501e+02 5.005384501e+02 6.003942800e+02 6.003942800e+02 2.579307262e+02 2.579307262e+02 2.606090284e+02 2.606090284e+02 6.221066419e+02 6.221066419e+02 0.94 4.556692257e+02 4.556692257e+02 5.504852646e+02 5.504852646e+02 2.319562907e+02 2.319562907e+02 2.342974722e+02 2.342974722e+02 5.717661395e+02 5.717661395e+02 0.96 4.145551612e+02 4.145551612e+02 5.045555153e+02 5.045555153e+02 2.083547420e+02 2.083547420e+02 2.104052332e+02 2.104052332e+02 5.253726089e+02 5.253726089e+02 0.98 3.768962402e+02 3.768962402e+02 4.622968723e+02 4.622968723e+02 1.869230316e+02 1.869230316e+02 1.887225893e+02 1.887225893e+02 4.826237592e+02 4.826237592e+02 1.00 3.424155269e+02 3.424155269e+02 4.234244168e+02 4.234244168e+02 1.674743900e+02 1.674743900e+02 1.690570454e+02 1.690570454e+02 4.432398222e+02 4.432398222e+02 1.02 3.108574460e+02 3.108574460e+02 3.876747612e+02 3.876747612e+02 1.498371495e+02 1.498371495e+02 1.512320250e+02 1.512320250e+02 4.069619434e+02 4.069619434e+02 1.04 2.819861885e+02 2.819861885e+02 3.548044622e+02 3.548044622e+02 1.338536304e+02 1.338536304e+02 1.350856435e+02 1.350856435e+02 3.735506772e+02 3.735506772e+02 1.06 2.555842325e+02 2.555842325e+02 3.245885481e+02 3.245885481e+02 1.193790923e+02 1.193790923e+02 1.204695623e+02 1.204695623e+02 3.427845822e+02 3.427845822e+02 1.08 2.314509723e+02 2.314509723e+02 2.968191527e+02 2.968191527e+02 1.062807510e+02 1.062807510e+02 1.072479205e+02 1.072479205e+02 3.144589114e+02 3.144589114e+02 1.10 2.094014468e+02 2.094014468e+02 2.713042479e+02 2.713042479e+02 9.443685708e+01 9.443685708e+01 9.529634097e+01 9.529634097e+01 2.883843923e+02 2.883843923e+02 1.12 1.892651614e+02 1.892651614e+02 2.478664673e+02 2.478664673e+02 8.373583801e+01 8.373583801e+01 8.450100861e+01 8.450100861e+01 2.643860906e+02 2.643860906e+02 1.14 1.708849952e+02 1.708849952e+02 2.263420159e+02 2.263420159e+02 7.407549794e+01 7.407549794e+01 7.475781603e+01 7.475781603e+01 2.423023549e+02 2.423023549e+02 1.16 1.541161891e+02 1.541161891e+02 2.065796583e+02 2.065796583e+02 6.536227482e+01 6.536227482e+01 6.597157323e+01 6.597157323e+01 2.219838350e+02 2.219838350e+02 1.18 1.388254080e+02 1.388254080e+02 1.884397815e+02 1.884397815e+02 5.751055097e+01 5.751055097e+01 5.805527734e+01 5.805527734e+01 2.032925705e+02 2.032925705e+02 1.20 1.248898715e+02 1.248898715e+02 1.717935248e+02 1.717935248e+02 5.044201408e+01 5.044201408e+01 5.092943846e+01 5.092943846e+01 1.861011444e+02 1.861011444e+02 1.22 1.121965494e+02 1.121965494e+02 1.565219737e+02 1.565219737e+02 4.408506599e+01 4.408506599e+01 4.452145817e+01 4.452145817e+01 1.702918972e+02 1.702918972e+02 1.24 1.006414160e+02 1.006414160e+02 1.425154128e+02 1.425154128e+02 3.837427608e+01 3.837427608e+01 3.876505682e+01 3.876505682e+01 1.557561990e+02 1.557561990e+02 1.26 9.012875993e+01 9.012875993e+01 1.296726337e+02 1.296726337e+02 3.324987651e+01 3.324987651e+01 3.359974622e+01 3.359974622e+01 1.423937727e+02 1.423937727e+02 1.28 8.057054543e+01 8.057054543e+01 1.179002930e+02 1.179002930e+02 2.865729625e+01 2.865729625e+01 2.897034444e+01 2.897034444e+01 1.301120676e+02 1.301120676e+02 1.30 7.188582037e+01 7.188582037e+01 1.071123180e+02 1.071123180e+02 2.454673140e+01 2.454673140e+01 2.482652957e+01 2.482652957e+01 1.188256787e+02 1.188256787e+02 1.32 6.400016898e+01 6.400016898e+01 9.722935581e+01 9.722935581e+01 2.087274930e+01 2.087274930e+01 2.112242963e+01 2.112242963e+01 1.084558074e+02 1.084558074e+02 1.34 5.684520524e+01 5.684520524e+01 8.817826372e+01 8.817826372e+01 1.759392377e+01 1.759392377e+01 1.781624574e+01 1.781624574e+01 9.892976326e+01 9.892976326e+01 1.36 5.035810429e+01 5.035810429e+01 7.989163646e+01 7.989163646e+01 1.467249947e+01 1.467249947e+01 1.486990605e+01 1.486990605e+01 9.018050149e+01 9.018050149e+01 1.38 4.448116880e+01 4.448116880e+01 7.230736897e+01 7.230736897e+01 1.207408294e+01 1.207408294e+01 1.224874797e+01 1.224874797e+01 8.214619465e+01 8.214619465e+01 1.40 3.916142809e+01 3.916142809e+01 6.536825147e+01 6.536825147e+01 9.767358556e+00 9.767358556e+00 9.921226633e+00 9.921226633e+00 7.476983620e+01 7.476983620e+01 1.42 3.435026743e+01 3.435026743e+01 5.902159462e+01 5.902159462e+01 7.723827373e+00 7.723827373e+00 7.858647376e+00 7.858647376e+00 6.799887340e+01 6.799887340e+01 1.44 3.000308542e+01 3.000308542e+01 5.321888270e+01 5.321888270e+01 5.917567228e+00 5.917567228e+00 6.034920390e+00 6.034920390e+00 6.178486739e+01 6.178486739e+01 1.46 2.607897719e+01 2.607897719e+01 4.791545252e+01 4.791545252e+01 4.325014820e+00 4.325014820e+00 4.426338359e+00 4.426338359e+00 5.608317857e+01 5.608317857e+01 1.48 2.254044176e+01 2.254044176e+01 4.307019646e+01 4.307019646e+01 2.924770079e+00 2.924770079e+00 3.011376707e+00 3.011376707e+00 5.085267544e+01 5.085267544e+01 1.50 1.935311167e+01 1.935311167e+01 3.864528773e+01 3.864528773e+01 1.697411826e+00 1.697411826e+00 1.770505895e+00 1.770505895e+00 4.605546525e+01 4.605546525e+01 1.52 1.648550322e+01 1.648550322e+01 3.460592626e+01 3.460592626e+01 6.253259172e-01 6.253259172e-01 6.860169232e-01 6.860169232e-01 4.165664475e+01 4.165664475e+01 1.54 1.390878592e+01 1.390878592e+01 3.092010372e+01 3.092010372e+01 -3.074531908e-01 -3.074531908e-01 -2.581393254e-01 -2.581393254e-01 3.762406967e+01 3.762406967e+01 1.56 1.159656950e+01 1.159656950e+01 2.755838626e+01 2.755838626e+01 -1.115388390e+00 -1.115388390e+00 -1.076499867e+00 -1.076499867e+00 3.392814154e+01 3.392814154e+01 1.58 9.524707441e+00 9.524707441e+00 2.449371365e+01 2.449371365e+01 -1.811574280e+00 -1.811574280e+00 -1.782225504e+00 -1.782225504e+00 3.054161052e+01 3.054161052e+01 1.60 7.671115629e+00 7.671115629e+00 2.170121364e+01 2.170121364e+01 -2.407860879e+00 -2.407860879e+00 -2.387225792e+00 -2.387225792e+00 2.743939317e+01 2.743939317e+01 1.62 6.015605061e+00 6.015605061e+00 1.915803048e+01 1.915803048e+01 -2.914967560e+00 -2.914967560e+00 -2.902274011e+00 -2.902274011e+00 2.459840405e+01 2.459840405e+01 1.64 4.539727527e+00 4.539727527e+00 1.684316637e+01 1.684316637e+01 -3.342588036e+00 -3.342588036e+00 -3.337112968e+00 -3.337112968e+00 2.199739990e+01 2.199739990e+01 1.66 3.226633334e+00 3.226633334e+00 1.473733505e+01 1.473733505e+01 -3.699487139e+00 -3.699487139e+00 -3.700552430e+00 -3.700552430e+00 1.961683590e+01 1.961683590e+01 1.68 2.060940141e+00 2.060940141e+00 1.282282663e+01 1.282282663e+01 -3.993590061e+00 -3.993590061e+00 -4.000558873e+00 -4.000558873e+00 1.743873266e+01 1.743873266e+01 1.70 1.028612088e+00 1.028612088e+00 1.108338270e+01 1.108338270e+01 -4.232064669e+00 -4.232064669e+00 -4.244338225e+00 -4.244338225e+00 1.544655353e+01 1.544655353e+01 1.72 1.168484198e-01 1.168484198e-01 9.504081067e+00 9.504081067e+00 -4.421397442e+00 -4.421397442e+00 -4.438412125e+00 -4.438412125e+00 1.362509116e+01 1.362509116e+01 1.74 -6.860191048e-01 -6.860191048e-01 8.071229337e+00 8.071229337e+00 -4.567463432e+00 -4.567463432e+00 -4.588688196e+00 -4.588688196e+00 1.196036282e+01 1.196036282e+01 1.76 -1.390620672e+00 -1.390620672e+00 6.772266743e+00 6.772266743e+00 -4.675589787e+00 -4.675589787e+00 -4.700524050e+00 -4.700524050e+00 1.043951374e+01 1.043951374e+01 1.78 -2.006635369e+00 -2.006635369e+00 5.595673540e+00 5.595673540e+00 -4.750613559e+00 -4.750613559e+00 -4.778785888e+00 -4.778785888e+00 9.050727902e+00 9.050727902e+00 1.80 -2.542871206e+00 -2.542871206e+00 4.530887432e+00 4.530887432e+00 -4.796935950e+00 -4.796935950e+00 -4.827903371e+00 -4.827903371e+00 7.783145683e+00 7.783145683e+00 1.82 -3.007338751e+00 -3.007338751e+00 3.568226491e+00 3.568226491e+00 -4.818572420e+00 -4.818572420e+00 -4.851920497e+00 -4.851920497e+00 6.626787896e+00 6.626787896e+00 1.84 -3.407318833e+00 -3.407318833e+00 2.698818084e+00 2.698818084e+00 -4.819198635e+00 -4.819198635e+00 -4.854542660e+00 -4.854542660e+00 5.572485692e+00 5.572485692e+00 1.86 -3.749424802e+00 -3.749424802e+00 1.914533353e+00 1.914533353e+00 -4.802192446e+00 -4.802192446e+00 -4.839180220e+00 -4.839180220e+00 4.611815917e+00 4.611815917e+00 1.88 -4.039659745e+00 -4.039659745e+00 1.207926832e+00 1.207926832e+00 -4.769858615e+00 -4.769858615e+00 -4.808085269e+00 -4.808085269e+00 3.737041505e+00 3.737041505e+00 1.90 -4.283469063e+00 -4.283469063e+00 5.721807962e-01 5.721807962e-01 -4.723587186e+00 -4.723587186e+00 -4.762750222e+00 -4.762750222e+00 2.941056503e+00 2.941056503e+00 1.92 -4.485788751e+00 -4.485788751e+00 1.053998462e-03 1.053998462e-03 -4.665476182e+00 -4.665476182e+00 -4.705305251e+00 -4.705305251e+00 2.217335409e+00 2.217335409e+00 1.94 -4.651089657e+00 -4.651089657e+00 -5.111655470e-01 -5.111655470e-01 -4.597395369e+00 -4.597395369e+00 -4.637644413e+00 -4.637644413e+00 1.559886493e+00 1.559886493e+00 1.96 -4.783418020e+00 -4.783418020e+00 -9.697040401e-01 -9.697040401e-01 -4.521001864e+00 -4.521001864e+00 -4.561447702e+00 -4.561447702e+00 9.632103589e-01 9.632103589e-01 1.98 -4.886432766e+00 -4.886432766e+00 -1.379341922e+00 -1.379341922e+00 -4.437762409e+00 -4.437762409e+00 -4.478203125e+00 -4.478203125e+00 4.222651539e-01 4.222651539e-01 2.00 -4.963439763e+00 -4.963439763e+00 -1.744450713e+00 -1.744450713e+00 -4.348973732e+00 -4.348973732e+00 -4.389226705e+00 -4.389226705e+00 -6.756853217e-02 -6.756853217e-02 2.02 -5.017423232e+00 -5.017423232e+00 -2.069026916e+00 -2.069026916e+00 -4.255781166e+00 -4.255781166e+00 -4.295679489e+00 -4.295679489e+00 -5.105218625e-01 -5.105218625e-01 2.04 -5.051074551e+00 -5.051074551e+00 -2.356722481e+00 -2.356722481e+00 -4.159191456e+00 -4.159191456e+00 -4.198577899e+00 -4.198577899e+00 -9.104696305e-01 -9.104696305e-01 2.06 -5.066818649e+00 -5.066818649e+00 -2.610864724e+00 -2.610864724e+00 -4.060037844e+00 -4.060037844e+00 -4.098755266e+00 -4.098755266e+00 -1.270959917e+00 -1.270959917e+00 2.08 -5.066838193e+00 -5.066838193e+00 -2.834473501e+00 -2.834473501e+00 -3.958945948e+00 -3.958945948e+00 -3.996831250e+00 -3.996831250e+00 -1.595241657e+00 -1.595241657e+00 2.10 -5.053095725e+00 -5.053095725e+00 -3.030285659e+00 -3.030285659e+00 -3.856354469e+00 -3.856354469e+00 -3.893234309e+00 -3.893234309e+00 -1.886290262e+00 -1.886290262e+00 2.12 -5.027353934e+00 -5.027353934e+00 -3.200779159e+00 -3.200779159e+00 -3.752541729e+00 -3.752541729e+00 -3.788228996e+00 -3.788228996e+00 -2.146831435e+00 -2.146831435e+00 2.14 -4.991194194e+00 -4.991194194e+00 -3.348195869e+00 -3.348195869e+00 -3.647651673e+00 -3.647651673e+00 -3.681942795e+00 -3.681942795e+00 -2.379363310e+00 -2.379363310e+00 2.16 -4.946033526e+00 -4.946033526e+00 -3.474563053e+00 -3.474563053e+00 -3.541719173e+00 -3.541719173e+00 -3.574392344e+00 -3.574392344e+00 -2.586177059e+00 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