# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Terentyev-D-Mastrikov-Y-A--W-Re # implementation = 2017--Bonny-G--W-Re--LAMMPS--ipr1 # composition = Re # 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 5.772804704e+03 nan 0.72 nan nan nan nan nan nan nan nan 5.082861060e+03 nan 0.74 nan nan nan nan nan nan nan nan 4.483982072e+03 nan 0.76 nan nan nan nan nan 3.533023849e+03 nan nan 3.962547786e+03 nan 0.78 nan nan nan nan nan 3.126438941e+03 nan nan 3.507423323e+03 nan 0.80 nan nan nan nan nan 2.771633433e+03 nan nan 3.109405073e+03 nan 0.82 nan nan nan nan nan 2.461544766e+03 nan nan 2.760721465e+03 nan 0.84 nan nan nan nan nan 2.190218683e+03 nan nan 2.454680622e+03 nan 0.86 nan 3.195253347e+03 nan 5.440704953e+03 5.440934609e+03 1.952515655e+03 nan nan 2.185535634e+03 3.357363203e+03 0.88 nan 2.864149448e+03 nan 4.891472218e+03 4.891636592e+03 1.743922760e+03 3.010681841e+03 nan 1.948421718e+03 3.005266239e+03 0.90 nan 2.570988945e+03 nan 4.405365957e+03 4.405442529e+03 1.560497007e+03 2.699511185e+03 nan 1.739181002e+03 2.693321730e+03 0.92 nan 2.310511136e+03 nan 3.974243408e+03 3.974264824e+03 1.398801987e+03 2.423183231e+03 nan 1.554223387e+03 2.416613738e+03 0.94 nan 2.078217179e+03 nan 3.591164316e+03 3.591166429e+03 1.255877983e+03 2.177410899e+03 nan 1.390469525e+03 2.170984816e+03 0.96 nan 1.870359547e+03 nan 3.250101717e+03 3.250118744e+03 1.129160481e+03 1.958524986e+03 nan 1.245266826e+03 1.952763353e+03 0.98 2.945675372e+03 1.683839831e+03 2.578198907e+03 2.945834821e+03 2.945895182e+03 1.016464139e+03 1.763316625e+03 2.682346066e+03 1.116322826e+03 1.758721860e+03 1.00 2.673626536e+03 1.516113326e+03 2.336575175e+03 2.673821965e+03 2.673944619e+03 9.159729708e+02 1.589026936e+03 2.432915717e+03 1.001645526e+03 1.585994743e+03 1.02 2.429799498e+03 1.365055270e+03 2.119457535e+03 2.430010960e+03 2.430210747e+03 8.260835354e+02 1.433207035e+03 2.208891275e+03 8.994548756e+02 1.431989216e+03 1.04 2.210336407e+03 1.228855465e+03 1.923691646e+03 2.210569761e+03 2.210841173e+03 7.453009301e+02 1.293571868e+03 2.006913982e+03 8.081300645e+02 1.294263188e+03 1.06 2.012055017e+03 1.105948713e+03 1.746567359e+03 2.012298454e+03 2.012598308e+03 6.723529752e+02 1.168127816e+03 1.824238356e+03 7.262957355e+02 1.170716649e+03 1.08 1.832371977e+03 9.949686732e+02 1.585905564e+03 1.832602294e+03 1.832888353e+03 6.062101612e+02 1.055189983e+03 1.658596101e+03 6.527947651e+02 1.059567603e+03 1.10 1.669121671e+03 8.947359865e+02 1.439930136e+03 1.669337541e+03 1.669583684e+03 5.462775581e+02 9.533316921e+02 1.508087008e+03 5.866289632e+02 9.592911495e+02 1.12 1.520515734e+03 8.042281325e+02 1.307193836e+03 1.520712329e+03 1.520897434e+03 4.923004209e+02 8.613235374e+02 1.371127441e+03 5.269317873e+02 8.686173905e+02 1.14 1.385054730e+03 7.225260013e+02 1.186442318e+03 1.385198403e+03 1.385305149e+03 4.436093598e+02 7.781021402e+02 1.246359747e+03 4.729752208e+02 7.864903490e+02 1.16 1.261422498e+03 6.487878940e+02 1.076542762e+03 1.261480582e+03 1.261502473e+03 3.996109909e+02 7.027498768e+02 1.132586147e+03 4.245526458e+02 7.119930913e+02 1.18 1.148477389e+03 5.822401379e+02 9.765049209e+02 1.148440611e+03 1.148384460e+03 3.597996401e+02 6.344760637e+02 1.028777574e+03 3.812265657e+02 6.443170697e+02 1.20 1.045241111e+03 5.221801539e+02 8.854646203e+02 1.045120786e+03 1.045001975e+03 3.237543375e+02 5.725772414e+02 9.340305734e+02 3.424067637e+02 5.827640170e+02 1.22 9.508308485e+02 4.679844736e+02 8.026203317e+02 9.506569819e+02 9.505037042e+02 2.911042240e+02 5.164252065e+02 8.475365055e+02 3.075701629e+02 5.267156686e+02 1.24 8.644617047e+02 4.191057535e+02 7.272202460e+02 8.642815952e+02 8.641291292e+02 2.615155578e+02 4.654501652e+02 7.685873410e+02 2.762639500e+02 4.756369221e+02 1.26 7.854637374e+02 3.751080118e+02 6.585915883e+02 7.853213253e+02 7.851988418e+02 2.347088861e+02 4.191483556e+02 6.965625315e+02 2.481119677e+02 4.291177613e+02 1.28 7.132573169e+02 3.359258258e+02 5.961336636e+02 7.131750701e+02 7.130980887e+02 2.104437668e+02 3.774033290e+02 6.309015810e+02 2.227916849e+02 3.871333468e+02 1.30 6.473071438e+02 3.011280571e+02 5.393100268e+02 6.472899139e+02 6.472660807e+02 1.885040488e+02 3.399336042e+02 5.710804192e+02 2.000178977e+02 3.493072887e+02 1.32 5.871075204e+02 2.702314341e+02 4.876284327e+02 5.871532382e+02 5.871851627e+02 1.686958077e+02 3.062960096e+02 5.166095070e+02 1.795311629e+02 3.152126220e+02 1.34 5.321881911e+02 2.428015021e+02 4.406394916e+02 5.322934155e+02 5.323780979e+02 1.508438754e+02 2.760993071e+02 4.670450519e+02 1.610925082e+02 2.844634074e+02 1.36 4.821220096e+02 2.184486576e+02 3.979352254e+02 4.822727279e+02 4.823998714e+02 1.347872901e+02 2.489841953e+02 4.219791159e+02 1.444861204e+02 2.567252486e+02 1.38 4.365168354e+02 1.968140422e+02 3.592644998e+02 4.366866052e+02 4.368372569e+02 1.203684846e+02 2.246244267e+02 3.810362194e+02 1.295289501e+02 2.317052559e+02 1.40 3.949990298e+02 1.775710518e+02 3.245582932e+02 3.951597844e+02 3.953101512e+02 1.074355343e+02 2.027340700e+02 3.441389478e+02 1.160602592e+02 2.091328302e+02 1.42 3.573499643e+02 1.604285426e+02 2.934261193e+02 3.574775625e+02 3.576040025e+02 9.584574589e+01 1.830590869e+02 3.110562370e+02 1.039370967e+02 1.887571376e+02 1.44 3.235028402e+02 1.451276484e+02 2.655065133e+02 3.235792842e+02 3.236636382e+02 8.547381647e+01 1.653704170e+02 2.814044419e+02 9.303199485e+01 1.703512006e+02 1.46 2.930978576e+02 1.314396901e+02 2.404807254e+02 2.931145234e+02 2.931483689e+02 7.620990478e+01 1.494596057e+02 2.548292161e+02 8.322630024e+01 1.537153186e+02 1.48 2.657879814e+02 1.191681485e+02 2.180579023e+02 2.657467405e+02 2.657303096e+02 6.795047562e+01 1.351340637e+02 2.310058221e+02 7.440999006e+01 1.386738042e+02 1.50 2.412611630e+02 1.081402914e+02 1.979711789e+02 2.411703372e+02 2.411085269e+02 6.059950019e+01 1.222205536e+02 2.096407309e+02 6.648480317e+01 1.250822955e+02 1.52 2.192260183e+02 9.820461924e+01 1.799740505e+02 2.191013555e+02 2.190026686e+02 5.406816517e+01 1.105664812e+02 1.904658572e+02 5.936344957e+01 1.128069891e+02 1.54 1.994166447e+02 8.923299106e+01 1.638398826e+02 1.992777792e+02 1.991537775e+02 4.827303155e+01 1.000366476e+02 1.732419420e+02 5.296755069e+01 1.017248096e+02 1.56 1.815954553e+02 8.111306707e+01 1.493583345e+02 1.814590120e+02 1.813234781e+02 4.313477485e+01 9.050926426e+01 1.577532927e+02 4.722583901e+01 9.172456574e+01 1.58 1.655453269e+02 7.374574271e+01 1.363380193e+02 1.654250473e+02 1.652932800e+02 3.858064066e+01 8.187712069e+01 1.438092977e+02 4.207268900e+01 8.270241340e+01 1.60 1.510772634e+02 6.704419533e+01 1.246057457e+02 1.509842561e+02 1.508707393e+02 3.454335392e+01 7.404770537e+01 1.312408378e+02 3.744639297e+01 7.456264766e+01 1.62 1.380230455e+02 6.093116114e+01 1.140078766e+02 1.379637533e+02 1.378799613e+02 3.096102029e+01 6.693915950e+01 1.198980337e+02 3.328935589e+01 6.721870554e+01 1.64 1.262297410e+02 5.533724606e+01 1.044094628e+02 1.262070281e+02 1.261608762e+02 2.777783603e+01 6.048086307e+01 1.096467889e+02 2.954948686e+01 6.059174829e+01 1.66 1.155614217e+02 5.020588104e+01 9.568981511e+01 1.155750361e+02 1.155699722e+02 2.494189237e+01 5.460961822e+01 1.003676865e+02 2.618093656e+01 5.461111516e+01 1.68 1.058981819e+02 4.549177931e+01 8.774019882e+01 1.059446358e+02 1.059793152e+02 2.240632130e+01 4.926852588e+01 9.195437951e+01 2.314305955e+01 4.921294006e+01 1.70 9.713371897e+01 4.115329642e+01 8.046603589e+01 9.720617123e+01 9.727469488e+01 2.013253736e+01 4.440593035e+01 8.431185392e+01 2.040120387e+01 4.433987713e+01 1.72 8.917195074e+01 3.715222900e+01 7.378585297e+01 8.926149244e+01 8.935452716e+01 1.808760544e+01 3.997592514e+01 7.735430562e+01 1.792545062e+01 3.993944727e+01 1.74 8.192406755e+01 3.345306697e+01 6.763481094e+01 8.202260278e+01 8.213040904e+01 1.624599053e+01 3.593811772e+01 7.100399343e+01 1.568877504e+01 3.596149507e+01 1.76 7.531079373e+01 3.002383196e+01 6.195874654e+01 7.541102839e+01 7.552423141e+01 1.458527793e+01 3.225527156e+01 6.519217101e+01 1.366635432e+01 3.236038652e+01 1.78 6.926151541e+01 2.683810491e+01 5.671183020e+01 6.935717536e+01 6.946733951e+01 1.308429471e+01 2.889266460e+01 5.985795855e+01 1.183557960e+01 2.909448131e+01 1.80 6.371296039e+01 2.387281418e+01 5.185346601e+01 6.379951863e+01 6.389991050e+01 1.172400231e+01 2.581907020e+01 5.494722830e+01 1.017574021e+01 2.612594688e+01 1.82 5.860866374e+01 2.111003312e+01 4.734768931e+01 5.868328961e+01 5.876891377e+01 1.048743531e+01 2.300645835e+01 5.041113351e+01 8.668161250e+00 2.342102323e+01 1.84 5.389852344e+01 1.853689509e+01 4.316308321e+01 5.395951025e+01 5.402696596e+01 9.359606529e+00 2.042845231e+01 4.620852667e+01 7.298119024e+00 2.094934280e+01 1.86 4.953945631e+01 1.614153901e+01 3.927348799e+01 4.958500802e+01 4.963224772e+01 8.327678329e+00 1.806029048e+01 4.230344795e+01 6.053829223e+00 1.868437751e+01 1.88 4.549172852e+01 1.391267295e+01 3.565616589e+01 4.552038491e+01 4.554692036e+01 7.380299406e+00 1.588159706e+01 3.866315963e+01 4.924056222e+00 1.660201875e+01 1.90 4.171876697e+01 1.184011388e+01 3.229096106e+01 4.173020313e+01 4.173715412e+01 6.507277849e+00 1.387523043e+01 3.526127510e+01 3.898547283e+00 1.468068261e+01 1.92 3.819289088e+01 9.914868206e+00 2.915962611e+01 3.818762400e+01 3.817693242e+01 5.699533361e+00 1.202669247e+01 3.207445232e+01 2.967970573e+00 1.290242368e+01 1.94 3.489040528e+01 8.128457240e+00 2.624382747e+01 3.486999786e+01 3.484418681e+01 4.948884276e+00 1.032339730e+01 2.908168517e+01 2.123411626e+00 1.125316666e+01 1.96 3.179075091e+01 6.473120074e+00 2.352672568e+01 3.175769910e+01 3.171975631e+01 4.248199845e+00 8.753678620e+00 2.626520772e+01 1.356463873e+00 9.722457919e+00 1.98 2.887566144e+01 4.941919055e+00 2.099239727e+01 2.883294438e+01 2.878610614e+01 3.590812188e+00 7.306056409e+00 2.361282597e+01 6.591441471e-01 8.301477469e+00 2.00 2.612842981e+01 3.528356976e+00 1.862476205e+01 2.607914402e+01 2.602677028e+01 2.969899551e+00 5.969380170e+00 2.111394737e+01 2.370212970e-02 6.982348505e+00 2.02 2.353455594e+01 2.226575546e+00 1.640945672e+01 2.348167615e+01 2.342701779e+01 2.380272253e+00 4.734137187e+00 1.875934703e+01 -5.564209979e-01 5.758133952e+00 2.04 2.108544098e+01 1.031964232e+00 1.433747164e+01 2.103192491e+01 2.097806135e+01 1.820377981e+00 3.593622611e+00 1.654240974e+01 -1.085158550e+00 4.623888454e+00 2.06 1.877416452e+01 -5.978376205e-02 1.240116726e+01 1.872317815e+01 1.867302851e+01 1.289324872e+00 2.541902133e+00 1.445773444e+01 -1.565989454e+00 3.575079453e+00 2.08 1.659437374e+01 -1.053267948e+00 1.059318576e+01 1.654917125e+01 1.650542325e+01 7.862804432e-01 1.573214689e+00 1.250072747e+01 -2.002325011e+00 2.607331773e+00 2.10 1.454140991e+01 -1.953039091e+00 8.906435156e+00 1.450454314e+01 1.446922459e+01 3.104692754e-01 6.820427184e-01 1.066736792e+01 -2.397405371e+00 1.716421210e+00 2.12 1.261140950e+01 -2.763707506e+00 7.334077463e+00 1.258444754e+01 1.255878635e+01 -1.388291733e-01 -1.367406786e-01 8.953500536e+00 -2.754456573e+00 8.982666927e-01 2.14 1.080068366e+01 -3.490265025e+00 5.869784738e+00 1.078432296e+01 1.076884559e+01 -5.623072030e-01 -8.880518262e-01 7.354781300e+00 -3.076883845e+00 1.489228512e-01 2.16 9.105707986e+00 -4.137980554e+00 4.507752854e+00 9.099939952e+00 9.094627596e+00 -9.608284721e-01 -1.576743547e+00 5.866810428e+00 -3.368182731e+00 -5.354270221e-01 2.18 7.523115016e+00 -4.712516397e+00 3.242294562e+00 7.527260037e+00 7.531567041e+00 -1.335319186e+00 -2.207567797e+00 4.485348488e+00 -3.631811744e+00 -1.158477578e+00 2.20 6.049755106e+00 -5.219573497e+00 2.068311067e+00 6.062560575e+00 6.075399119e+00 -1.686529183e+00 -2.784224485e+00 3.206085813e+00 -3.870794251e+00 -1.723774981e+00 2.22 4.681880370e+00 -5.664675957e+00 9.813309275e-01 4.701739242e+00 4.721599095e+00 -2.015051127e+00 -3.310094590e+00 2.024079116e+00 -4.086854319e+00 -2.235247046e+00 2.24 3.413871719e+00 -6.052452086e+00 -2.299191297e-02 3.439170050e+00 3.464468382e+00 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