# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = NiPt3 # 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 2024-04-11 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 3.888443610e+02 nan nan 1.16 3.606399469e+02 nan nan 1.18 3.344503885e+02 nan nan 1.20 3.100956496e+02 nan nan 1.22 2.874307386e+02 nan nan 1.24 2.663355776e+02 nan nan 1.26 2.467022734e+02 nan nan 1.28 2.284186273e+02 3.426917930e+02 3.877098062e+02 1.30 2.113679749e+02 3.197015811e+02 3.624944148e+02 1.32 1.954474637e+02 2.981856029e+02 3.388860617e+02 1.34 1.805798607e+02 2.780497645e+02 3.167479036e+02 1.36 1.667042092e+02 2.591989338e+02 2.959785841e+02 1.38 1.537586576e+02 2.415361707e+02 2.765027218e+02 1.40 1.416748266e+02 2.249719179e+02 2.582507140e+02 1.42 1.303842933e+02 2.094339789e+02 2.411470793e+02 1.44 1.198247344e+02 1.948665231e+02 2.251106136e+02 1.46 1.099390774e+02 1.812188980e+02 2.100592773e+02 1.48 1.006713917e+02 1.684363309e+02 1.959155582e+02 1.50 9.196551412e+01 1.564590942e+02 1.826101921e+02 1.52 8.376785665e+01 1.452254946e+02 1.700832593e+02 1.54 7.603201818e+01 1.346736185e+02 1.582833250e+02 1.56 6.872247357e+01 1.247427462e+02 1.471650792e+02 1.58 6.181530999e+01 1.153764066e+02 1.366862932e+02 1.60 5.529502341e+01 1.065260377e+02 1.268063449e+02 1.62 4.922910850e+01 9.815278393e+01 1.174871313e+02 1.64 4.373024911e+01 9.022613176e+01 1.086940717e+02 1.66 3.875184649e+01 8.272050886e+01 1.003952466e+02 1.68 3.424531835e+01 7.561268936e+01 9.255975733e+01 1.70 3.016592089e+01 6.888170000e+01 8.515713851e+01 1.72 2.647409170e+01 6.250987302e+01 7.815771673e+01 1.74 2.313530100e+01 5.648243179e+01 7.153285157e+01 1.76 2.011887337e+01 5.081949752e+01 6.525504097e+01 1.78 1.739649572e+01 4.563255812e+01 5.929871412e+01 1.80 1.494104513e+01 4.089650438e+01 5.364228870e+01 1.82 1.272614866e+01 3.656835713e+01 4.836892487e+01 1.84 1.072657535e+01 3.260938685e+01 4.353026765e+01 1.86 8.919120330e+00 2.898648182e+01 3.909719322e+01 1.88 7.283380370e+00 2.567215965e+01 3.504112445e+01 1.90 5.802021188e+00 2.264341215e+01 3.133246024e+01 1.92 4.460545375e+00 1.987996403e+01 2.794104210e+01 1.94 3.246795834e+00 1.736266151e+01 2.483778298e+01 1.96 2.150414479e+00 1.507250779e+01 2.199618940e+01 1.98 1.162375962e+00 1.299047449e+01 1.939303755e+01 2.00 2.746362751e-01 1.109788988e+01 1.700816937e+01 2.02 -5.201168103e-01 9.377052876e+00 1.482379568e+01 2.04 -1.228658886e+00 7.811753140e+00 1.282378013e+01 2.06 -1.857415172e+00 6.387529413e+00 1.099321841e+01 2.08 -2.412639832e+00 5.091657702e+00 9.318359434e+00 2.10 -2.900540778e+00 3.912950583e+00 7.786711546e+00 2.12 -3.327296337e+00 2.841473029e+00 6.387130251e+00 2.14 -3.698957317e+00 1.868271236e+00 5.109758044e+00 2.16 -4.021287450e+00 9.851807538e-01 3.945793741e+00 2.18 -4.299615410e+00 1.847321207e-01 2.887157548e+00 2.20 -4.538742175e+00 -5.398739297e-01 1.926168784e+00 2.22 -4.742904569e+00 -1.194768464e+00 1.055348058e+00 2.24 -4.915776018e+00 -1.785429095e+00 2.673921873e-01 2.26 -5.060491242e+00 -2.316720233e+00 -4.447148574e-01 2.28 -5.179691482e+00 -2.792955871e+00 -1.087541913e+00 2.30 -5.275588369e+00 -3.217977590e+00 -1.667082136e+00 2.32 -5.350153874e+00 -3.595241716e+00 -2.188696580e+00 2.34 -5.408337712e+00 -3.927909480e+00 -2.657131648e+00 2.36 -5.452170141e+00 -4.218931728e+00 -3.076591928e+00 2.38 -5.481835694e+00 -4.471119015e+00 -3.450845324e+00 2.40 -5.497639629e+00 -4.687191870e+00 -3.783338527e+00 2.42 -5.500008143e+00 -4.869812812e+00 -4.077301126e+00 2.44 -5.489476419e+00 -5.021606769e+00 -4.335817224e+00 2.46 -5.466664319e+00 -5.145178113e+00 -4.561850121e+00 2.48 -5.432248751e+00 -5.243130154e+00 -4.758220913e+00 2.50 -5.386948401e+00 -5.318085911e+00 -4.927559599e+00 2.52 -5.331532874e+00 -5.372718745e+00 -5.072256170e+00 2.54 -5.266864657e+00 -5.412216061e+00 -5.194433461e+00 2.56 -5.193953204e+00 -5.440770141e+00 -5.295948191e+00 2.58 -5.113994767e+00 -5.459614370e+00 -5.378412554e+00 2.60 -5.028368119e+00 -5.469850282e+00 -5.443396040e+00 2.62 -4.938569935e+00 -5.472399127e+00 -5.495011830e+00 2.64 -4.846099608e+00 -5.467958200e+00 -5.534601067e+00 2.66 -4.752304108e+00 -5.457007725e+00 -5.562230161e+00 2.68 -4.658192087e+00 -5.439853651e+00 -5.578008698e+00 2.70 -4.564474779e+00 -5.416684586e+00 -5.582118534e+00 2.72 -4.471601563e+00 -5.387622484e+00 -5.574859393e+00 2.74 -4.379799197e+00 -5.352762671e+00 -5.556701913e+00 2.76 -4.289129137e+00 -5.312195225e+00 -5.528333833e+00 2.78 -4.199545562e+00 -5.266013424e+00 -5.490682502e+00 2.80 -4.110944516e+00 -5.214316245e+00 -5.444897409e+00 2.82 -4.023200887e+00 -5.157211687e+00 -5.392287082e+00 2.84 -3.936193519e+00 -5.094826143e+00 -5.334220601e+00 2.86 -3.849820058e+00 -5.027322076e+00 -5.272009638e+00 2.88 -3.764003662e+00 -4.954913407e+00 -5.206802001e+00 2.90 -3.678693624e+00 -4.877852241e+00 -5.139510963e+00 2.92 -3.593862039e+00 -4.796502205e+00 -5.070791230e+00 2.94 -3.509498155e+00 -4.711372784e+00 -5.001057164e+00 2.96 -3.425601862e+00 -4.623112169e+00 -4.930505593e+00 2.98 -3.342177414e+00 -4.532476348e+00 -4.859135326e+00 3.00 -3.259228167e+00 -4.440275693e+00 -4.786872316e+00 3.02 -3.176752884e+00 -4.347307739e+00 -4.713622029e+00 3.04 -3.094743927e+00 -4.254290276e+00 -4.639294223e+00 3.06 -3.013187417e+00 -4.161809310e+00 -4.563817772e+00 3.08 -2.932065221e+00 -4.070291445e+00 -4.487147686e+00 3.10 -2.851358371e+00 -3.980002605e+00 -4.409266687e+00 3.12 -2.771051322e+00 -3.891067777e+00 -4.330183322e+00 3.14 -2.691136343e+00 -3.803502905e+00 -4.249928031e+00 3.16 -2.611630046e+00 -3.717249910e+00 -4.168548144e+00 3.18 -2.532669202e+00 -3.632208446e+00 -4.086102520e+00 3.20 -2.454437928e+00 -3.548260924e+00 -4.002656528e+00 3.22 -2.377105570e+00 -3.465290124e+00 -3.918278123e+00 3.24 -2.300828347e+00 -3.383190261e+00 -3.833035781e+00 3.26 -2.225749873e+00 -3.301873069e+00 -3.746998992e+00 3.28 -2.152000584e+00 -3.221270440e+00 -3.660241620e+00 3.30 -2.079696595e+00 -3.141334870e+00 -3.572847983e+00 3.32 -2.008938481e+00 -3.062038537e+00 -3.484920975e+00 3.34 -1.939810329e+00 -2.983371519e+00 -3.396590940e+00 3.36 -1.872379292e+00 -2.905339411e+00 -3.308023565e+00 3.38 -1.806695688e+00 -2.827960545e+00 -3.219424741e+00 3.40 -1.742793627e+00 -2.751262925e+00 -3.131040431e+00 3.42 -1.680692033e+00 -2.675286567e+00 -3.043150156e+00 3.44 -1.620395900e+00 -2.600131893e+00 -2.956053904e+00 3.46 -1.561897603e+00 -2.525930920e+00 -2.870053770e+00 3.48 -1.505178180e+00 -2.452825111e+00 -2.785433107e+00 3.50 -1.450208475e+00 -2.380938662e+00 -2.702436771e+00 3.52 -1.396950113e+00 -2.310372467e+00 -2.621257698e+00 3.54 -1.345356302e+00 -2.241205808e+00 -2.542100488e+00 3.56 -1.295372531e+00 -2.173498122e+00 -2.465185343e+00 3.58 -1.246937207e+00 -2.107290811e+00 -2.390641525e+00 3.60 -1.199982302e+00 -2.042609009e+00 -2.318515735e+00 3.62 -1.154434096e+00 -1.979463265e+00 -2.248790976e+00 3.64 -1.110214101e+00 -1.917851131e+00 -2.181404630e+00 3.66 -1.067240255e+00 -1.857758671e+00 -2.116264048e+00 3.68 -1.025428448e+00 -1.799161966e+00 -2.053258948e+00 3.70 -9.846944761e-01 -1.742028682e+00 -1.992270642e+00 3.72 -9.449564669e-01 -1.686319746e+00 -1.933178561e+00 3.74 -9.061377868e-01 -1.631991172e+00 -1.875864729e+00 3.76 -8.681703968e-01 -1.578995974e+00 -1.820216804e+00 3.78 -8.309985261e-01 -1.527286064e+00 -1.766130196e+00 3.80 -7.945824286e-01 -1.476813974e+00 -1.713509555e+00 3.82 -7.589018625e-01 -1.427534224e+00 -1.662269815e+00 3.84 -7.239588133e-01 -1.379404165e+00 -1.612336834e+00 3.86 -6.897788942e-01 -1.332384219e+00 -1.563647625e+00 3.88 -6.564108553e-01 -1.286437549e+00 -1.516150134e+00 3.90 -6.239237497e-01 -1.241529309e+00 -1.469802595e+00 3.92 -5.924015698e-01 -1.197625749e+00 -1.424572461e+00 3.94 -5.619355752e-01 -1.154693508e+00 -1.380435043e+00 3.96 -5.326149721e-01 -1.112699349e+00 -1.337371886e+00 3.98 -5.045170708e-01 -1.071610633e+00 -1.295369104e+00 4.00 -4.776982331e-01 -1.031396534e+00 -1.254415729e+00 4.02 -4.521869071e-01 -9.920299668e-01 -1.214502183e+00 4.04 -4.279797094e-01 -9.534900156e-01 -1.175618969e+00 4.06 -4.050409750e-01 -9.157645379e-01 -1.137755595e+00 4.08 -3.833056108e-01 -8.788525879e-01 -1.100899765e+00 4.10 -3.626846035e-01 -8.427662403e-01 -1.065036821e+00 4.12 -3.430722625e-01 -8.075314778e-01 -1.030149418e+00 4.14 -3.243542313e-01 -7.731877175e-01 -9.962173893e-01 4.16 -3.064154318e-01 -7.397859436e-01 -9.632177940e-01 4.18 -2.891473228e-01 -7.073853318e-01 -9.311250842e-01 4.20 -2.724540714e-01 -6.760486392e-01 -8.999113871e-01 4.22 -2.562574210e-01 -6.458368038e-01 -8.695468652e-01 4.24 -2.405000891e-01 -6.168033694e-01 -8.400001377e-01 4.26 -2.251476606e-01 -5.889894189e-01 -8.112387406e-01 4.28 -2.101888801e-01 -5.624196299e-01 -7.832296069e-01 4.30 -1.956343359e-01 -5.370998836e-01 -7.559395426e-01 4.32 -1.815135902e-01 -5.130165942e-01 -7.293356689e-01 4.34 -1.678709343e-01 -4.901376584e-01 -7.033857982e-01 4.36 -1.547600944e-01 -4.684147021e-01 -6.780587042e-01 4.38 -1.422383785e-01 -4.477861738e-01 -6.533242478e-01 4.40 -1.303608121e-01 -4.281808053e-01 -6.291533267e-01 4.42 -1.191748844e-01 -4.095210158e-01 -6.055176335e-01 4.44 -1.087163843e-01 -3.917259515e-01 -5.823892315e-01 4.46 -9.900666914e-02 -3.747139813e-01 -5.597399929e-01 4.48 -9.005148377e-02 -3.584046010e-01 -5.375409824e-01 4.50 -8.184123731e-02 -3.427197963e-01 -5.157618993e-01 4.52 -7.435247581e-02 -3.275849859e-01 -4.943707055e-01 4.54 -6.755019332e-02 -3.129296945e-01 -4.733336159e-01 4.56 -6.139060135e-02 -2.986881057e-01 -4.526154492e-01 4.58 -5.582401423e-02 -2.847996219e-01 -4.321805555e-01 4.60 -5.079758295e-02 -2.712095163e-01 -4.119942116e-01 4.62 -4.625769932e-02 -2.578697180e-01 -3.920244774e-01 4.64 -4.215197541e-02 -2.447397250e-01 -3.722443949e-01 4.66 -3.843077064e-02 -2.317875991e-01 -3.526343697e-01 4.68 -3.504828572e-02 -2.189909620e-01 -3.331845425e-01 4.70 -3.196326631e-02 -2.063378867e-01 -3.138969315e-01 4.72 -2.913937727e-02 -1.938275580e-01 -2.947871240e-01 4.74 -2.654530257e-02 -1.814705747e-01 -2.758852949e-01 4.76 -2.415449929e-02 -1.692887680e-01 -2.572363651e-01 4.78 -2.194502375e-02 -1.573144418e-01 -2.388991585e-01 4.80 -1.989942995e-02 -1.455889813e-01 -2.209445009e-01 4.82 -1.800378233e-02 -1.341608507e-01 -2.034523032e-01 4.84 -1.624710375e-02 -1.230830405e-01 -1.865077900e-01 4.86 -1.462078679e-02 -1.124101586e-01 -1.701971473e-01 4.88 -1.311799614e-02 -1.021953569e-01 -1.546029484e-01 4.90 -1.173310310e-02 -9.248735835e-02 -1.397997632e-01 4.92 -1.046118554e-02 -8.332783443e-02 -1.258503398e-01 4.94 -9.297614716e-03 -7.474934374e-02 -1.128026783e-01 4.96 -8.237743479e-03 -6.677397697e-02 -1.006882041e-01 4.98 -7.276732050e-03 -5.941276492e-02 -8.952110786e-02 5.00 -6.409421574e-03 -5.266582078e-02 -7.929879095e-02 5.02 -5.630310188e-03 -4.652311501e-02 -7.000324257e-02 5.04 -4.933596310e-03 -4.096573209e-02 -6.160310867e-02 5.06 -4.313755067e-03 -3.596743494e-02 -5.405618517e-02 5.08 -3.766128443e-03 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-2.854166317e-04 -2.394088346e-03 -3.580908288e-03 5.46 -2.470336018e-04 -2.071659205e-03 -3.098692148e-03 5.48 -2.138877020e-04 -1.793257255e-03 -2.682312596e-03 5.50 -1.852607930e-04 -1.552846605e-03 -2.322744100e-03 5.52 -1.605321215e-04 -1.345208758e-03 -2.012184147e-03 5.54 -1.391656447e-04 -1.165836430e-03 -1.743893304e-03 5.56 -1.206988362e-04 -1.010839809e-03 -1.512057023e-03 5.58 -1.047328493e-04 -8.768641490e-04 -1.311658804e-03 5.60 -9.092390768e-05 -7.610176154e-04 -1.138374723e-03 5.62 -7.897579750e-05 -6.608083240e-04 -9.884786845e-04 5.64 -6.863333901e-05 -5.740895531e-04 -8.587605431e-04 5.66 -5.967672384e-05 -4.990121905e-04 -7.464550488e-04 5.68 -5.191661336e-05 -4.339835465e-04 -6.491803004e-04 5.70 -4.518990308e-05 -3.776317426e-04 -5.648845318e-04 5.72 -3.935606770e-05 -3.287749682e-04 -4.918001672e-04 5.74 -3.429401089e-05 -2.863949704e-04 -4.284042000e-04 5.76 -2.989935232e-05 -2.496142169e-04 -3.733840578e-04 5.78 -2.608209323e-05 -2.176762389e-04 -3.256082181e-04 5.80 -2.276460858e-05 -1.899287213e-04 -2.841009278e-04 5.82 -1.987992085e-05 -1.658089628e-04 -2.480204638e-04 5.84 -1.737021633e-05 -1.448313772e-04 -2.166404445e-04 5.86 -1.518557005e-05 -1.265767525e-04 -1.893337679e-04 5.88 -1.328285012e-05 -1.106830203e-04 -1.655588081e-04 5.90 -1.162477609e-05 -9.683732432e-05 -1.448475525e-04 5.92 -1.017910962e-05 -8.476920407e-05 -1.267954077e-04 5.94 -8.917958884e-06 -7.424473617e-05 -1.110524360e-04 5.96 -7.817180402e-06 -6.506149795e-05 -9.731582272e-05 5.98 -6.855864632e-06 -5.704423680e-05 -8.532339799e-05 6.00 -6.015893433e-06 -5.004114526e-05 -7.484806497e-05