# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Pt # implementation = 2004--Zhou-X-W--Pt--LAMMPS--ipr2 # composition = Pt # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 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 nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 9.934594357e+02 nan 0.80 nan nan nan nan nan nan nan nan 9.092557565e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.332980228e+02 nan 0.84 nan nan nan nan nan 6.544611998e+02 nan nan 7.646414404e+02 nan 0.86 nan nan nan nan nan 6.008967612e+02 nan nan 7.025041738e+02 nan 0.88 nan nan nan nan nan 5.523991902e+02 nan nan 6.462086777e+02 nan 0.90 nan nan nan nan nan 5.083997177e+02 nan nan 5.951146447e+02 nan 0.92 nan nan nan nan nan 4.683815063e+02 nan nan 5.486249851e+02 nan 0.94 nan nan nan 1.078413943e+03 1.078424549e+03 4.319051863e+02 nan nan 5.062161303e+02 7.195469043e+02 0.96 nan 6.627758153e+02 nan 1.002011987e+03 1.002040572e+03 3.985989344e+02 6.762828648e+02 nan 4.674413869e+02 6.664925781e+02 0.98 nan 6.142142973e+02 nan 9.319294408e+02 9.319614970e+02 3.681387248e+02 6.269120502e+02 nan 4.319240610e+02 6.179483810e+02 1.00 nan 5.696650839e+02 nan 8.675271505e+02 8.675450575e+02 3.402473164e+02 5.816115438e+02 nan 3.993453566e+02 5.734789906e+02 1.02 nan 5.287459646e+02 nan 8.082544696e+02 8.082478679e+02 3.146796790e+02 5.400373157e+02 nan 3.694285774e+02 5.326478247e+02 1.04 nan 4.910986282e+02 nan 7.536448388e+02 7.536159865e+02 2.911960272e+02 5.018514299e+02 nan 3.419264576e+02 4.950506719e+02 1.06 nan 4.563993367e+02 nan 7.032782864e+02 7.032422235e+02 2.695618936e+02 4.667076731e+02 6.545607040e+02 3.166157404e+02 4.603557936e+02 1.08 6.568150558e+02 4.243761039e+02 5.914369006e+02 6.567596801e+02 6.567378271e+02 2.495695748e+02 4.342848384e+02 6.108176101e+02 2.933000921e+02 4.283043685e+02 1.10 6.137057761e+02 3.948006447e+02 5.520720711e+02 6.137236683e+02 6.137313217e+02 2.310596338e+02 4.043136172e+02 5.703438317e+02 2.718119377e+02 3.986747427e+02 1.12 5.737633550e+02 3.674694847e+02 5.155835248e+02 5.738454951e+02 5.738836215e+02 2.139270146e+02 3.765714535e+02 5.328659968e+02 2.520032869e+02 3.712562341e+02 1.14 5.367383282e+02 3.421896682e+02 4.817713891e+02 5.368501231e+02 5.369082389e+02 1.980979055e+02 3.508600251e+02 4.981455414e+02 2.337308732e+02 3.458552026e+02 1.16 5.024014173e+02 3.187732741e+02 4.504394695e+02 5.025040376e+02 5.025670942e+02 1.834949179e+02 3.269959321e+02 4.659614859e+02 2.168491647e+02 3.223083678e+02 1.18 4.705327381e+02 2.970502083e+02 4.213892616e+02 4.705996525e+02 4.706519774e+02 1.700219092e+02 3.048196268e+02 4.361025157e+02 2.012183113e+02 3.004817559e+02 1.20 4.409229634e+02 2.768740712e+02 3.944324128e+02 4.409420467e+02 4.409690744e+02 1.575744685e+02 2.842033608e+02 4.083671372e+02 1.867160093e+02 2.802539440e+02 1.22 4.133758428e+02 2.581175191e+02 3.693849646e+02 4.133448532e+02 4.133369860e+02 1.460511437e+02 2.650454148e+02 3.825653232e+02 1.732420504e+02 2.614980650e+02 1.24 3.877096291e+02 2.406672752e+02 3.460655065e+02 3.876355703e+02 3.875931111e+02 1.353573231e+02 2.472522081e+02 3.585213694e+02 1.607143272e+02 2.440762428e+02 1.26 3.637645877e+02 2.244233769e+02 3.243083333e+02 3.636613515e+02 3.635951209e+02 1.254072587e+02 2.307235589e+02 3.360799876e+02 1.490599280e+02 2.278513678e+02 1.28 3.413996754e+02 2.092900352e+02 3.039766764e+02 3.412864821e+02 3.412131736e+02 1.161275633e+02 2.153507518e+02 3.151068803e+02 1.382092072e+02 2.127055054e+02 1.30 3.204834994e+02 1.951728864e+02 2.849627506e+02 3.203850544e+02 3.203219092e+02 1.074604260e+02 2.010269499e+02 2.954854366e+02 1.280963132e+02 1.985507465e+02 1.32 3.008918788e+02 1.819857726e+02 2.671723984e+02 3.008362722e+02 3.007972840e+02 9.936159527e+01 1.876579019e+02 2.771142586e+02 1.186615750e+02 1.853248255e+02 1.34 2.825183873e+02 1.696594163e+02 2.505143397e+02 2.825281309e+02 2.825218274e+02 9.179608746e+01 1.751638608e+02 2.599079354e+02 1.098512697e+02 1.729763928e+02 1.36 2.652835067e+02 1.581383137e+02 2.348977989e+02 2.653625960e+02 2.653908220e+02 8.473152414e+01 1.634770564e+02 2.437939949e+02 1.016172970e+02 1.614515790e+02 1.38 2.491266304e+02 1.473699174e+02 2.202389463e+02 2.492562081e+02 2.493142541e+02 7.813335385e+01 1.525386321e+02 2.287063259e+02 9.391727141e+01 1.506900726e+02 1.40 2.339891824e+02 1.372997605e+02 2.064685474e+02 2.341366389e+02 2.342151539e+02 7.196487782e+01 1.422979916e+02 2.145790173e+02 8.671469608e+01 1.406270496e+02 1.42 2.198071354e+02 1.278753907e+02 1.935375495e+02 2.199402424e+02 2.200278663e+02 6.619238537e+01 1.327108265e+02 2.013453507e+02 7.997727657e+01 1.311989220e+02 1.44 2.065125885e+02 1.190512748e+02 1.814102751e+02 2.066094314e+02 2.066952159e+02 6.078767730e+01 1.237350925e+02 1.889408691e+02 7.367564075e+01 1.223478588e+02 1.46 1.940394472e+02 1.107886387e+02 1.700529751e+02 1.940903568e+02 1.941649514e+02 5.572783938e+01 1.153265428e+02 1.773044223e+02 6.778117372e+01 1.140254348e+02 1.48 1.823252528e+02 1.030512248e+02 1.594229050e+02 1.823300481e+02 1.823856499e+02 5.099101357e+01 1.074382437e+02 1.663780782e+02 6.226560217e+01 1.061924513e+02 1.50 1.713125363e+02 9.580058766e+01 1.494685288e+02 1.712766958e+02 1.713066829e+02 4.655531166e+01 1.000245353e+02 1.561071980e+02 5.710175759e+01 9.881703771e+01 1.52 1.609478719e+02 8.899582415e+01 1.401343749e+02 1.608804049e+02 1.608797643e+02 4.239834412e+01 9.304469767e+01 1.464411468e+02 5.226522959e+01 9.187118505e+01 1.54 1.511829887e+02 8.259662846e+01 1.313655510e+02 1.510954848e+02 1.510621785e+02 3.849744916e+01 8.646514023e+01 1.373356880e+02 4.773417645e+01 8.533003538e+01 1.56 1.419746275e+02 7.656806366e+01 1.231103568e+02 1.418804579e+02 1.418170985e+02 3.482987787e+01 8.025861273e+01 1.287530514e+02 4.348811380e+01 7.917059353e+01 1.58 1.332849189e+02 7.088307990e+01 1.153233181e+02 1.331973847e+02 1.331118232e+02 3.137450704e+01 7.440226957e+01 1.206604624e+02 3.950674565e+01 7.337148230e+01 1.60 1.250807812e+02 6.552186183e+01 1.079670614e+02 1.250110033e+02 1.249151217e+02 2.811329604e+01 6.887621664e+01 1.130284044e+02 3.576985189e+01 6.791237632e+01 1.62 1.173340488e+02 6.046838165e+01 1.010128466e+02 1.172883711e+02 1.171951164e+02 2.503219038e+01 6.366220280e+01 1.058297871e+02 3.225822565e+01 6.277468689e+01 1.64 1.100208505e+02 5.570680773e+01 9.443872423e+01 1.099992766e+02 1.099197520e+02 2.212047388e+01 5.874343136e+01 9.903829459e+01 2.895466241e+01 5.794179431e+01 1.66 1.031183463e+02 5.121963348e+01 8.822563810e+01 1.031156500e+02 1.030574115e+02 1.936943498e+01 5.410466190e+01 9.262754660e+01 2.584404561e+01 5.339781285e+01 1.68 9.660245239e+01 4.698784631e+01 8.235437685e+01 9.661130393e+01 9.657820869e+01 1.681178584e+01 4.973238016e+01 8.657044633e+01 2.291288975e+01 4.912672569e+01 1.70 9.044695159e+01 4.299249092e+01 7.680519290e+01 9.046149823e+01 9.045439675e+01 1.450718150e+01 4.561438386e+01 8.083971187e+01 2.014862762e+01 4.511133369e+01 1.72 8.462446333e+01 3.921656962e+01 7.155896802e+01 8.464216161e+01 8.465975225e+01 1.243600807e+01 4.173861749e+01 7.540983364e+01 1.753907768e+01 4.133471284e+01 1.74 7.910895704e+01 3.564591178e+01 6.659730050e+01 7.913014171e+01 7.916961938e+01 1.057784051e+01 3.809239599e+01 7.025896227e+01 1.507739430e+01 3.778094378e+01 1.76 7.387569812e+01 3.226922149e+01 6.190215915e+01 7.390286995e+01 7.396055120e+01 8.912558622e+00 3.466192801e+01 6.536938593e+01 1.282633040e+01 3.443449168e+01 1.78 6.890343697e+01 2.907783733e+01 5.745486098e+01 6.893977192e+01 6.901148038e+01 7.420023262e+00 3.143246840e+01 6.072812663e+01 1.079230213e+01 3.128009317e+01 1.80 6.417526816e+01 2.606482390e+01 5.323605018e+01 6.422351092e+01 6.430477423e+01 6.080814110e+00 2.838924419e+01 5.632611592e+01 8.957263927e+00 2.830253642e+01 1.82 5.967971690e+01 2.322385977e+01 4.922707206e+01 5.974071538e+01 5.982667840e+01 4.877270957e+00 2.551798812e+01 5.215630947e+01 7.305408413e+00 2.548709191e+01 1.84 5.540996626e+01 2.054777181e+01 4.541172832e+01 5.548185207e+01 5.556732415e+01 3.794268216e+00 2.280553303e+01 4.821183856e+01 5.822132113e+00 2.281987847e+01 1.86 5.136199495e+01 1.802782432e+01 4.177722667e+01 5.143959265e+01 5.151915064e+01 2.819175700e+00 2.023992231e+01 4.448433566e+01 4.493268141e+00 2.028830099e+01 1.88 4.753131259e+01 1.565364626e+01 3.831532747e+01 4.760707111e+01 4.767558099e+01 1.941662990e+00 1.781080512e+01 4.096295139e+01 3.304813475e+00 1.788112952e+01 1.90 4.391070031e+01 1.341534184e+01 3.502167648e+01 4.397633520e+01 4.402954458e+01 1.153147509e+00 1.550943884e+01 3.763479408e+01 2.243288446e+00 1.558880273e+01 1.92 4.048920259e+01 1.135671514e+01 3.189449804e+01 4.053768453e+01 4.057266705e+01 4.462465282e-01 1.333686721e+01 3.448596680e+01 1.296155994e+00 1.342060319e+01 1.94 3.725346865e+01 9.487061517e+00 2.893242854e+01 3.728017529e+01 3.729538458e+01 -1.857300399e-01 1.134843342e+01 3.150283139e+01 4.521952457e-01 1.143310926e+01 1.96 3.418939063e+01 7.787516982e+00 2.613289548e+01 3.419250324e+01 3.418757926e+01 -7.490716682e-01 9.542178780e+00 2.867284763e+01 -2.984262134e-01 9.620720733e+00 1.98 3.128343993e+01 6.242255230e+00 2.349097026e+01 3.126347897e+01 3.123902344e+01 -1.249763243e+00 7.902450460e+00 2.598462833e+01 -9.642672219e-01 7.972605639e+00 2.00 2.852349671e+01 4.838019049e+00 2.099917639e+01 2.848262044e+01 2.844007548e+01 -1.693419872e+00 6.414463730e+00 2.342808708e+01 -1.552903106e+00 6.478507447e+00 2.02 2.589854872e+01 3.563649617e+00 1.864808316e+01 2.584020621e+01 2.578200454e+01 -2.085201076e+00 5.064580887e+00 2.099408398e+01 -2.071262081e+00 5.127728036e+00 2.04 2.339866426e+01 2.409751419e+00 1.642731006e+01 2.332715753e+01 2.325670745e+01 -2.429805087e+00 3.840628320e+00 1.867465837e+01 -2.525848527e+00 3.909043474e+00 2.06 2.101473984e+01 1.368142246e+00 1.432652643e+01 2.093509090e+01 2.085679879e+01 -2.731554024e+00 2.731799460e+00 1.646287803e+01 -2.922827018e+00 2.811000247e+00 2.08 1.873847080e+01 4.314820333e-01 1.235140022e+01 1.865622639e+01 1.857526850e+01 -2.994503158e+00 1.728698405e+00 1.435307018e+01 -3.267988969e+00 1.822568117e+00 2.10 1.656292921e+01 -4.071213184e-01 1.054317284e+01 1.648364647e+01 1.640546215e+01 -3.222587702e+00 8.231551497e-01 1.235281619e+01 -3.566697308e+00 9.338369364e-01 2.12 1.448235125e+01 -1.154507939e+00 8.890960124e+00 1.441122608e+01 1.434097187e+01 -3.419552518e+00 7.890030119e-03 1.051236798e+01 -3.823814385e+00 1.361335327e-01 2.14 1.250179013e+01 -1.817644653e+00 7.381062123e+00 1.244529340e+01 1.238943102e+01 -3.590154421e+00 -7.236446188e-01 8.828234064e+00 -4.043709225e+00 -5.779612604e-01 2.16 1.067296269e+01 -2.403665097e+00 6.001238736e+00 1.063418805e+01 1.059586554e+01 -3.741936168e+00 -1.377501413e+00 7.290279157e+00 -4.230327606e+00 -1.215017695e+00 2.18 8.997448299e+00 -2.919739652e+00 4.740430685e+00 8.975496373e+00 8.953842784e+00 -3.876609324e+00 -1.959348425e+00 5.888852111e+00 -4.387230004e+00 -1.781201663e+00 2.20 7.466815507e+00 -3.372845909e+00 3.588604396e+00 7.459396346e+00 7.452170866e+00 -3.995071157e+00 -2.474547479e+00 4.614464251e+00 -4.518188288e+00 -2.282599316e+00 2.22 6.072214474e+00 -3.769530246e+00 2.536837748e+00 6.076253225e+00 6.080416149e+00 -4.098145617e+00 -2.928263296e+00 3.457644513e+00 -4.630960351e+00 -2.725306135e+00 2.24 4.804078419e+00 -4.115715155e+00 1.577071672e+00 4.816301889e+00 4.828604145e+00 -4.186374287e+00 -3.325525990e+00 2.408947848e+00 -4.727935865e+00 -3.115282726e+00 2.26 3.652391757e+00 -4.416603436e+00 7.022200879e-01 3.669753986e+00 3.687165724e+00 -4.260196747e+00 -3.671286253e+00 1.459191158e+00 -4.809891123e+00 -3.458109714e+00 2.28 2.607132131e+00 -4.676665403e+00 -9.395706969e-02 2.627067097e+00 2.647032864e+00 -4.319938206e+00 -3.970413938e+00 5.997828345e-01 -4.877540562e+00 -3.758782537e+00 2.30 1.658742626e+00 -4.899723390e+00 -8.169518886e-01 1.679245718e+00 1.699773245e+00 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